Statistical theory of electron densities

International Nuclear Information System (INIS)

Pratt, L.R.; Hoffman, G.G.; Harris, R.A.

1988-01-01

An optimized Thomas--Fermi theory is proposed which retains the simplicity of the original theory and is a suitable reference theory for Monte Carlo density functional treatments of condensed materials. The key ingredient of the optimized theory is a neighborhood sampled potential which contains effects of the inhomogeneities in the one-electron potential. In contrast to the traditional Thomas--Fermi approach, the optimized theory predicts a finite electron density in the vicinity of a nucleus. Consideration of the example of an ideal electron gas subject to a central Coulomb field indicates that implementation of the approach is straightforward. The optimized theory is found to fail completely when a classically forbidden region is approached. However, these circumstances are not of primary interest for calculations of interatomic forces. It is shown how the energy functional of the density may be constructed by integration of a generalized Hellmann--Feynman relation. This generalized Hellmann--Feynman relation proves to be equivalent to the variational principle of density functional quantum mechanics, and, therefore, the present density theory can be viewed as a variational consequence of the constructed energy functional

A totally automatic density meter for radioactive solutions

International Nuclear Information System (INIS)

Hochel, R.C.

1987-02-01

A totally automatic density meter for measuring the density of radioactive liquid (plutonium nitrate) samples was developed and built for use at the Savannah River Plant. The measurement cell (vibrating U-tube) and other wetted parts are glovebox-contained and are remoted from the electronics and control instrumentation. The only operator actions required are insertion of a sample vial into the system, starting the analysis, and removing the vial about 90 seconds later. The sample measurement takes about 3 to 4 minutes and uses 10 mL of sample; another 5 to 6 minutes is required for a water/air measurement-control check, which leaves the system ready for the next sample. No water bath is needed because a computer algorithm is applied to the measurement to correct it to a standard reference temperature. The system is normally operated under computer control, but a programmable logic controller is available for backup. The system may also be operated manually by means of a switchpanel. 5 refs., 3 figs

Efficient k⋅p method for the calculation of total energy and electronic density of states

OpenAIRE

Iannuzzi, Marcella; Parrinello, Michele

2001-01-01

An efficient method for calculating the electronic structure in large systems with a fully converged BZ sampling is presented. The method is based on a k.p-like approximation developed in the framework of the density functional perturbation theory. The reliability and efficiency of the method are demostrated in test calculations on Ar and Si supercells

Reconstruction of the ionospheric electron density by geostatistical inversion

Science.gov (United States)

Minkwitz, David; van den Boogaart, Karl Gerald; Hoque, Mainul; Gerzen, Tatjana

2015-04-01

The ionosphere is the upper part of the atmosphere where sufficient free electrons exist to affect the propagation of radio waves. Typically, the ionosphere extends from about 50 - 1000 km and its morphology is mainly driven by solar radiation, particle precipitation and charge exchange. Due to the strong ionospheric impact on many applications dealing with trans-ionospheric signals such as Global Navigation Satellite Systems (GNSS) positioning, navigation and remote sensing, the demand for a highly accurate reconstruction of the electron density is ever increasing. Within the Helmholtz Alliance project "Remote Sensing and Earth System Dynamics" (EDA) the utilization of the upcoming radar mission TanDEM-L and its related products are prepared. The TanDEM-L mission will operate in L-band with a wavelength of approximately 24 cm and aims at an improved understanding of environmental processes and ecosystem change, e.g. earthquakes, volcanos, glaciers, soil moisture and carbon cycle. Since its lower frequency compared to the X-band (3 cm) and C-band (5 cm) radar missions, the influence of the ionosphere will increase and might lead to a significant degradation of the radar image quality if no correction is applied. Consequently, our interest is the reconstruction of the ionospheric electron density in order to mitigate the ionospheric delay. Following the ionosphere's behaviour we establish a non-stationary and anisotropic spatial covariance model of the electron density separated into a vertical and horizontal component. In order to estimate the model's parameters we chose a maximum likelihood approach. This approach incorporates GNSS total electron content measurements, representing integral measurements of the electron density between satellite to receiver ray paths, and the NeQuick model as a non-stationary trend. Based on a multivariate normal distribution the spatial covariance model parameters are optimized and afterwards the 3D electron density can be

Solar corona electron density distribution

International Nuclear Information System (INIS)

Esposito, P.B.; Edenhofer, P.; Lueneburg, E.

1980-01-01

Three and one-half months of single-frequency (f= 0 2.2 x 10 9 Hz) time delay data (earth-to-spacecraft and return signal travel time) were acquired from the Helios 2 spacecraft around the time of its solar occupation (May 16, 1976). Following the determination of the spacecraft trajectory the excess time delay due to the integrated effect of free electrons along the signal's ray path could be separated and modeled. An average solar corona, equatorial, electron density profile, during solar minimum, was deduced from time delay measurements acquired within 5--60 solar radii (R/sub S/) of the sun. As a point of reference, at 10 R/sub S/ from the sun we find an average electron density of 4500 el cm -3 . However, there appears to be an asymmtry in the electron density as the ray path moved from the west (preoccultation) to east (post-occulation) solar limb. This may be related to the fact that during entry into occulation the heliographic latitude of the ray path (at closes approach to the sun) was about 6 0 , whereas during exit it became -7 0 . The Helios electron density model is compared with similar models deduced from a variety of different experimental techniques. Within 5--20 R/sub S/ of the sun the models separate according to solar minimum or maximum conditions; however, anomalies are evident

Electron and current density measurements on tokamak plasmas

International Nuclear Information System (INIS)

Lammeren, A.C.A.P. van.

1991-01-01

The first part of this thesis describes the Thomson-scattering diagnostic as it was present at the TORTUR tokamak. For the first time with this diagnostic a complete tangential scattering spectrum was recorded during one single laser pulse. From this scattering spectrum the local current density was derived. Small deviations from the expected gaussian scattering spectrum were observed indicating the non-Maxwellian character of the electron-velocity distribution. The second part of this thesis describes the multi-channel interferometer/ polarimeter diagnostic which was constructed, build and operated on the Rijnhuizen Tokamak Project (RTP) tokamak. The diagnostic was operated routinely, yielding the development of the density profiles for every discharge. When ECRH (Electron Cyclotron Resonance Heating) is switched on the density profile broadens, the central density decreases and the total density increases, the opposite takes place when ECRH is switched off. The influence of MHD (magnetohydrodynamics) activity on the density was clearly observable. In the central region of the plasma it was measured that in hydrogen discharges the so-called sawtooth collapse is preceded by an m=1 instability which grows rapidly. An increase in radius of this m=1 mode of 1.5 cm just before the crash is observed. In hydrogen discharges the sawtooth induced density pulse shows an asymmetry for the high- and low-field side propagation. This asymmetry disappeared for helium discharges. From the location of the maximum density variations during an m=2 mode the position of the q=2 surface is derived. The density profiles are measured during the energy quench phase of a plasma disruption. A fast flattening and broadening of the density profile is observed. (author). 95 refs.; 66 figs.; 7 tabs

The Role of Electron Transport and Trapping in MOS Total-Dose Modeling

International Nuclear Information System (INIS)

Flament, O.; Fleetwood, D.M.; Leray, J.L.; Paillet, P.; Riewe, L.C.; Winokur, P.S.

1999-01-01

Deep and shallow electron traps form in irradiated thermal SiO 2 as a natural response to hole transport and trapping. The density and stability of these defects are discussed, as are their implications for total-dose modeling

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

Energy Technology Data Exchange (ETDEWEB)

Ruiz Ruiz, J.; White, A. E. [MIT-Plasma Science and Fusion Center, Cambridge, Massachusetts 02139 (United States); Ren, Y.; Guttenfelder, W.; Kaye, S. M.; Leblanc, B. P.; Mazzucato, E. [Princeton Plasma Physics Laboratory, Princeton, New Jersey 08543 (United States); Lee, K. C. [National Fusion Research Institute, Daejeon (Korea, Republic of); Domier, C. W. [University of California at Davis, Davis, California 95616 (United States); Smith, D. R. [University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); Yuh, H. [Nova Photonics, Inc., Princeton, New Jersey 08540 (United States)

2015-12-15

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

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

Science.gov (United States)

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.

Density-dependent electron scattering in photoexcited GaAs

DEFF Research Database (Denmark)

Mics, Zoltán; D'’Angio, Andrea; Jensen, Søren A.

2013-01-01

—In a series of systematic optical pump - terahertz probe experiments we study the density-dependent electron scattering rate in photoexcited GaAs in a large range of carrier densities. The electron scattering time decreases by as much as a factor of 4, from 320 to 60 fs, as the electron density...

Density and energy distribution of epithermal secondary electrons in a plasma with fast charged particles

International Nuclear Information System (INIS)

Jayakumar, R.; Fleischmann, H.H.

1989-01-01

The production of intermediate energy secondary electrons in plasmas through collisions with fast charged particles is investigated. The density and the distribution of the secondary electrons are obtained by calculating the generation, slow down and diffusion rates, using basic Rutherford collision cross sections. It is shown that the total density of secondaries is much smaller than the fast particle density and that the energy distribution has roughly a 1/√E dependence. The higher generation secondary populations are also obtained. (orig.)

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

Energy Technology Data Exchange (ETDEWEB)

Schaub, S. C., E-mail: sschaub@mit.edu; Hummelt, J. S.; Guss, W. C.; Shapiro, M. A.; Temkin, R. J. [Plasma Science and Fusion Center, Massachusetts Institute of Technology 167 Albany St., Bldg. NW16, Cambridge, Massachusetts 02139 (United States)

2016-08-15

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

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

International Nuclear Information System (INIS)

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

2016-01-01

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

Variations of the ionospheric electron density during the Bhuj seismic event

Directory of Open Access Journals (Sweden)

A. Trigunait

2004-12-01

Full Text Available Ionospheric perturbations by natural geophysical activity, such as volcanic eruptions and earthquakes, have been studied since the great Alaskan earthquake in 1964. Measurements made from the ground show a variation of the critical frequency of the ionosphere layers before and after the shock. In this paper, we present an experimental investigation of the electron density variations around the time of the Bhuj earthquake in Gujarat, India. Several experiments have been used to survey the ionosphere. Measurements of fluctuations in the integrated electron density or TEC (Total Electron Content between three satellites (TOPEX-POSEIDON, SPOT2, SPOT4 and the ground have been done using the DORIS beacons. TEC has been also evaluated from a ground-based station using GPS satellites, and finally, ionospheric data from a classical ionospheric sounder located close to the earthquake epicenter are utilized. Anomalous electron density variations are detected both in day and night times before the quake. The generation mechanism of these perturbations is explained by a modification of the electric field in the global electric circuit induced during the earthquake preparation. Key words. Ionosphere (ionospheric disturbances – Radio Science (ionospheric physics – History of geophysics (seismology

Wigner-like crystallization of Anderson-localized electron systems with low electron densities

CERN Document Server

Slutskin, A A; Pepper, M

2002-01-01

We consider an electron system under conditions of strong Anderson localization, taking into account interelectron long-range Coulomb repulsion. We establish that at sufficiently low electron densities and sufficiently low temperatures the Coulomb electron interaction brings about ordering of the Anderson-localized electrons into a structure that is close to an ideal (Wigner) crystal lattice, provided the dimension of the system is > 1. This Anderson-Wigner glass (AWG) is a new macroscopic electron state that, on the one hand, is beyond the conventional Fermi glass concept, and on the other hand, qualitatively differs from the known 'plain' Wigner glass (inherent in self-localized electron systems) in that the random slight electron displacements from the ideal crystal sites essentially depend on the electron density. With increasing electron density the AWG is found to turn into the plain Wigner glass or Fermi glass, depending on the width of the random spread of the electron levels. It is shown that the res...

Analyticity of the density of electronic wavefunctions

DEFF Research Database (Denmark)

Fournais, Søren; Hoffmann-Ostenhof, Maria; Hoffmann-Ostenhof, Thomas

2004-01-01

We prove that the electronic densities of atomic and molecular eigenfunctions are real analytic in R^3 away from the nuclei.......We prove that the electronic densities of atomic and molecular eigenfunctions are real analytic in R^3 away from the nuclei....

Electron densities in planetary nebulae

International Nuclear Information System (INIS)

Stanghellini, L.; Kaler, J.B.

1989-01-01

Electron densities for 146 planetary nebulae have been obtained for analyzing a large sample of forbidden lines by interpolating theoretical curves obtained from solutions of the five-level atoms using up-to-date collision strengths and transition probabilities. Electron temperatures were derived from forbidden N II and/or forbidden O III lines or were estimated from the He II 4686 A line strengths. The forbidden O II densities are generally lower than those from forbidden Cl III by an average factor of 0.65. For data sets in which forbidden O II and forbidden S II were observed in common, the forbidden O II values drop to 0.84 that of the forbidden S II, implying that the outermost parts of the nebulae might have elevated densities. The forbidden Cl II and forbidden Ar IV densities show the best correlation, especially where they have been obtained from common data sets. The data give results within 30 percent of one another, assuming homogeneous nebulae. 106 refs

Interferometer for electron density measurement in exploding wire plasma

International Nuclear Information System (INIS)

Batra, Jigyasa; Jaiswar, Ashutosh; Kaushik, T.C.

2016-12-01

Mach-Zehnder Interferometer (MZI) has been developed for measuring electron density profile in pulsed plasmas. MZI is to be used for characterizing exploding wire plasmas for correlating electron density dynamics with x-rays emission. Experiments have been carried out for probing electron density in pulsed plasmas produced in our laboratory like in spark gap and exploding wire plasmas. These are microsecond phenomenon. Changes in electron density have been registered in interferograms with the help of a streak camera for specific time window. Temporal electron density profiles have been calculated by analyzing temporal fringe shifts in interferograms. This report deals with details of MZI developed in our laboratory along with its theory. Basic introductory details have also been provided for exploding wire plasmas to be probed. Some demonstrative results of electron density measurements in pulsed plasmas of spark gap and single exploding wires have been described. (author)

Interaction effects in liquids with low electron densities

International Nuclear Information System (INIS)

Warren, W.W. Jr.

1987-01-01

The author discusses two complementary classes of systems in which strong electron-electron or electron-ion interactions appear at low electron densities. The first are the expanded liquid alkali metals (cesium) in which electron correlation effects have a profound effect on the magnetic properties on the metallic side of the metal-nonmetal transition. The second group are molten alkali halides containing low densities of localized electrons introduced, say, by dissolution of small amounts of excess metal. (Auth.)

Deriving the coronal hole electron temperature: electron density dependent ionization / recombination considerations

International Nuclear Information System (INIS)

Doyle, John Gerard; Perez-Suarez, David; Singh, Avninda; Chapman, Steven; Bryans, Paul; Summers, Hugh; Savin, Daniel Wolf

2010-01-01

Comparison of appropriate theoretically derived line ratios with observational data can yield estimates of a plasma's physical parameters, such as electron density or temperature. The usual practice in the calculation of the line ratio is the assumption of excitation by electrons/protons followed by radiative decay. Furthermore, it is normal to use the so-called coronal approximation, i.e. one only considers ionization and recombination to and from the ground-state. A more accurate treatment is to include ionization/recombination to and from metastable levels. Here, we apply this to two lines from adjacent ionization stages, Mg IX 368 A and Mg X 625 A, which has been shown to be a very useful temperature diagnostic. At densities typical of coronal hole conditions, the difference between the electron temperature derived assuming the zero density limit compared with the electron density dependent ionization/recombination is small. This, however, is not the case for flares where the electron density is orders of magnitude larger. The derived temperature for the coronal hole at solar maximum is around 1.04 MK compared to just below 0.82 MK at solar minimum.

Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

Science.gov (United States)

Tao, Jianmin; Ye, Lin-Hui; Duan, Yuhua

2017-12-01

The primary goal of Kohn-Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao-Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew-Burke-Ernzerhof (PBE), Tao-Perdew-Staroverov-Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree-Fock density yields the exchange and correlation energies in good agreement with the Optimized Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Finally, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.

Electron density profile in multilayer systems

International Nuclear Information System (INIS)

Toekesi, K.

2004-01-01

Complete text of publication follows. Electron energy loss spectroscopy (EELS) has been used extensively to study the multilayer systems, where the thickness of layers are in the nanometer range. These studies has received considerable attention because of its technological interest, for example in the nanotechnology. On the most fundamental level, its importance is derived from the basic physics that is involved. One key quantities of interest is the response of a many-body system to an external perturbation: How act and how modify the interface between the solid-solid or solid-vacuum the excitations in the solid and in the vicinity of the interfaces. In this work, as a starting point of such investigations we calculated the electron density profile for multilayer systems. Our approach employs the time-dependent density functional theory (TDDFT), that is, the solution of a time-dependent Schroedinger equation in which the potential and forces are determined selfconsistently from the dynamics governed by the Schroedinger equation. We treat the problem in TDDFT at the level of the local-density approximation (LDA). Later, the comparison of experimentally obtained loss functions and the theory, based on our TDDFT calculations can provide deeper understanding of surface physics. We performed the calculations for half-infinite samples characterized by r s =1.642 and r s =1.997. We also performed the calculations for double layer systems. The substrate was characterized by r s =1.997 and the coverage by r s =1.642. Fig. 1. shows the obtained electron density profile in LDA approximation. Because of the sharp cutoff of electronic wave vectors at the Fermi surface, the densities in the interior exhibit slowly decaying Friedel oscillations. To highlight the Friedel oscillation we enlarged the electron density profile in Fig. 1a. and Fig. 1b. The work was supported by the Hungarian Scientific Research Found: OTKA No. T038016, the grant 'Bolyai' from the Hungarian Academy of

Determination of electron temperature and electron density in ...

African Journals Online (AJOL)

It is seen that the electron temperature increases from 5.8 × 102 oK to 7.83 × 104 oK as the pd is reduced from 130mm Hg × mm to 60 mm Hg × mm for argon. The electron densities increases from 2.8 × 1011/cm3 to 3.2 × 1011 /cm3 for the same variation of pds. For air the electron temperature increases from 3.6 × 104 oK to ...

Wigner-like crystallization of Anderson-localized electron systems with low electron densities

International Nuclear Information System (INIS)

Slutskin, A.A.; Kovtun, H.A.; Pepper, M.

2002-01-01

We consider an electron system under conditions of strong Anderson localization, taking into account interelectron long-range Coulomb repulsion. We establish that at sufficiently low electron densities and sufficiently low temperatures the Coulomb electron interaction brings about ordering of the Anderson-localized electrons into a structure that is close to an ideal (Wigner) crystal lattice, provided the dimension of the system is > 1. This Anderson-Wigner glass (AWG) is a new macroscopic electron state that, on the one hand, is beyond the conventional Fermi glass concept, and on the other hand, qualitatively differs from the known 'plain' Wigner glass (inherent in self-localized electron systems) in that the random slight electron displacements from the ideal crystal sites essentially depend on the electron density. With increasing electron density the AWG is found to turn into the plain Wigner glass or Fermi glass, depending on the width of the random spread of the electron levels. It is shown that the residual disorder of the AWG is characterized by a multi-valley ground-state degeneracy akin to that in a spin glass. Some general features of the AWG are discussed, and a new conduction mechanism of a creep type is predicted

Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density

Science.gov (United States)

Seino, Junji; Kageyama, Ryo; Fujinami, Mikito; Ikabata, Yasuhiro; Nakai, Hiromi

2018-06-01

A semi-local kinetic energy density functional (KEDF) was constructed based on machine learning (ML). The present scheme adopts electron densities and their gradients up to third-order as the explanatory variables for ML and the Kohn-Sham (KS) kinetic energy density as the response variable in atoms and molecules. Numerical assessments of the present scheme were performed in atomic and molecular systems, including first- and second-period elements. The results of 37 conventional KEDFs with explicit formulae were also compared with those of the ML KEDF with an implicit formula. The inclusion of the higher order gradients reduces the deviation of the total kinetic energies from the KS calculations in a stepwise manner. Furthermore, our scheme with the third-order gradient resulted in the closest kinetic energies to the KS calculations out of the presented functionals.

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

International Nuclear Information System (INIS)

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

2011-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Levy, Mel, E-mail: ayers@mcmaster.ca, E-mail: mlevy@tulane.edu [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States); Department of Physics, North Carolina A and T State University, Greensboro, North Carolina 27411 (United States); Department of Chemistry, Tulane University, New Orleans, Louisiana 70118 (United States); Anderson, James S. M.; Zadeh, Farnaz Heidar; Ayers, Paul W., E-mail: ayers@mcmaster.ca, E-mail: mlevy@tulane.edu [Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario (Canada)

2014-05-14

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

Experimental core electron density of cubic boron nitride

DEFF Research Database (Denmark)

Wahlberg, Nanna; Bindzus, Niels; Bjerg, Lasse

as well as experimental result. The redistribution of electron density will, if not accounted for, result in increased thermal parameters. It is estimated that 1.7-2 electrons is transferred from boron to nitrogen. [1]: N. Bindzus, T. Straasø, N. Wahlberg, J. Becker, L. Bjerg, N. Lock, A.-C. Dippel, and B......Experimental core electron density of cubic boron nitride Nanna Wahlberg*, Niels Bindzus*, Lasse Bjerg*, Jacob Becker*, and Bo B. Iversen* *Aarhus University, Department of Chemistry, CMC, Langelandsgade 140, 8000 Århus, Denmark The resent progress in powder diffraction provides data of quality...... obtained. The displacement parameters reported here are significantly lower than those previously reported, stressing the importance of an adequate description of the core density. The charge transfer from boron to nitrogen clearly affects the inner electron density, which is evident from theoretical...

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

International Nuclear Information System (INIS)

Zhang Man-Hong

2016-01-01

By performing the electronic structure computation of a Si atom, we compare two iteration algorithms of Broyden electron density mixing in the literature. One was proposed by Johnson and implemented in the well-known VASP code. The other was given by Eyert. We solve the Kohn-Sham equation by using a conventional outward/inward integration of the differential equation and then connect two parts of solutions at the classical turning points, which is different from the method of the matrix eigenvalue solution as used in the VASP code. Compared to Johnson’s algorithm, the one proposed by Eyert needs fewer total iteration numbers. (paper)

Time-dependent density functional theory description of total photoabsorption cross sections

Science.gov (United States)

Tenorio, Bruno Nunes Cabral; Nascimento, Marco Antonio Chaer; Rocha, Alexandre Braga

2018-02-01

The time-dependent version of the density functional theory (TDDFT) has been used to calculate the total photoabsorption cross section of a number of molecules, namely, benzene, pyridine, furan, pyrrole, thiophene, phenol, naphthalene, and anthracene. The discrete electronic pseudo-spectra, obtained in a L2 basis set calculation were used in an analytic continuation procedure to obtain the photoabsorption cross sections. The ammonia molecule was chosen as a model system to compare the results obtained with TDDFT to those obtained with the linear response coupled cluster approach in order to make a link with our previous work and establish benchmarks.

Influence of the electron density on the characteristics of terahertz waves generated under laser–cluster interaction

Energy Technology Data Exchange (ETDEWEB)

Frolov, A. A., E-mail: frolov@ihed.ras.ru [Russian Academy of Sciences, Joint Institute for High Temperatures (Russian Federation)

2016-12-15

A theory of generation of terahertz radiation under laser–cluster interaction, developed earlier for an overdense cluster plasma [A. A. Frolov, Plasma Phys. Rep. 42. 637 (2016)], is generalized for the case of arbitrary electron density. The spectral composition of radiation is shown to substantially depend on the density of free electrons in the cluster. For an underdense cluster plasma, there is a sharp peak in the terahertz spectrum at the frequency of the quadrupole mode of a plasma sphere. As the electron density increases to supercritical values, this spectral line vanishes and a broad maximum at the frequency comparable with the reciprocal of the laser pulse duration appears in the spectrum. The dependence of the total energy of terahertz radiation on the density of free electrons is analyzed. The radiation yield is shown to increase significantly under resonance conditions, when the laser frequency is close to the eigenfrequency of the dipole or quadrupole mode of a plasma sphere.

Intermittent electron density and temperature fluctuations and associated fluxes in the Alcator C-Mod scrape-off layer

Science.gov (United States)

Kube, R.; Garcia, O. E.; Theodorsen, A.; Brunner, D.; Kuang, A. Q.; LaBombard, B.; Terry, J. L.

2018-06-01

The Alcator C-Mod mirror Langmuir probe system has been used to sample data time series of fluctuating plasma parameters in the outboard mid-plane far scrape-off layer. We present a statistical analysis of one second long time series of electron density, temperature, radial electric drift velocity and the corresponding particle and electron heat fluxes. These are sampled during stationary plasma conditions in an ohmically heated, lower single null diverted discharge. The electron density and temperature are strongly correlated and feature fluctuation statistics similar to the ion saturation current. Both electron density and temperature time series are dominated by intermittent, large-amplitude burst with an exponential distribution of both burst amplitudes and waiting times between them. The characteristic time scale of the large-amplitude bursts is approximately 15 μ {{s}}. Large-amplitude velocity fluctuations feature a slightly faster characteristic time scale and appear at a faster rate than electron density and temperature fluctuations. Describing these time series as a superposition of uncorrelated exponential pulses, we find that probability distribution functions, power spectral densities as well as auto-correlation functions of the data time series agree well with predictions from the stochastic model. The electron particle and heat fluxes present large-amplitude fluctuations. For this low-density plasma, the radial electron heat flux is dominated by convection, that is, correlations of fluctuations in the electron density and radial velocity. Hot and dense blobs contribute only a minute fraction of the total fluctuation driven heat flux.

Teaching Chemistry with Electron Density Models

Science.gov (United States)

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.

Time-dependent density-functional tight-binding method with the third-order expansion of electron density.

Science.gov (United States)

Nishimoto, Yoshio

2015-09-07

We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of the third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well.

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

Energy Technology Data Exchange (ETDEWEB)

Bajaj, Sanyam, E-mail: bajaj.10@osu.edu; Shoron, Omor F.; Park, Pil Sung; Krishnamoorthy, Sriram; Akyol, Fatih; Hung, Ting-Hsiang [Department of Electrical and Computer Engineering, The Ohio State University, Columbus, Ohio 43210 (United States); Reza, Shahed; Chumbes, Eduardo M. [Raytheon Integrated Defense Systems, Andover, Massachusetts 01810 (United States); Khurgin, Jacob [Department of Electrical and Computer Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Rajan, Siddharth [Department of Electrical and Computer Engineering, The Ohio State University, Columbus, Ohio 43210 (United States); Department of Material Science and Engineering, The Ohio State University, Columbus, Ohio 43210 (United States)

2015-10-12

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

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

International Nuclear Information System (INIS)

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

2015-01-01

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

Statistical properties of kinetic and total energy densities in reverberant spaces

DEFF Research Database (Denmark)

Jacobsen, Finn; Molares, Alfonso Rodriguez

2010-01-01

Many acoustical measurements, e.g., measurement of sound power and transmission loss, rely on determining the total sound energy in a reverberation room. The total energy is usually approximated by measuring the mean-square pressure (i.e., the potential energy density) at a number of discrete....... With the advent of a three-dimensional particle velocity transducer, it has become somewhat easier to measure total rather than only potential energy density in a sound field. This paper examines the ensemble statistics of kinetic and total sound energy densities in reverberant enclosures theoretically...... positions. The idea of measuring the total energy density instead of the potential energy density on the assumption that the former quantity varies less with position than the latter goes back to the 1930s. However, the phenomenon was not analyzed until the late 1970s and then only for the region of high...

Evaluation of macromolecular electron-density map quality using the correlation of local r.m.s. density

International Nuclear Information System (INIS)

Terwilliger, Thomas C.; Berendzen, Joel

1999-01-01

The correlation of local r.m.s. density is shown to be a good measure of the presence of distinct solvent and macromolecule regions in macromolecular electron-density maps. It has recently been shown that the standard deviation of local r.m.s. electron density is a good indicator of the presence of distinct regions of solvent and protein in macromolecular electron-density maps [Terwilliger & Berendzen (1999 ▶). Acta Cryst. D55, 501–505]. Here, it is demonstrated that a complementary measure, the correlation of local r.m.s. density in adjacent regions on the unit cell, is also a good measure of the presence of distinct solvent and protein regions. The correlation of local r.m.s. density is essentially a measure of how contiguous the solvent (and protein) regions are in the electron-density map. This statistic can be calculated in real space or in reciprocal space and has potential uses in evaluation of heavy-atom solutions in the MIR and MAD methods as well as for evaluation of trial phase sets in ab initio phasing procedures

An x-ray backlit Talbot-Lau deflectometer for high-energy-density electron density diagnostics

Science.gov (United States)

Valdivia, M. P.; Stutman, D.; Stoeckl, C.; Theobald, W.; Mileham, C.; Begishev, I. A.; Bromage, J.; Regan, S. P.

2016-02-01

X-ray phase-contrast techniques can measure electron density gradients in high-energy-density plasmas through refraction induced phase shifts. An 8 keV Talbot-Lau interferometer consisting of free standing ultrathin gratings was deployed at an ultra-short, high-intensity laser system using K-shell emission from a 1-30 J, 8 ps laser pulse focused on thin Cu foil targets. Grating survival was demonstrated for 30 J, 8 ps laser pulses. The first x-ray deflectometry images obtained under laser backlighting showed up to 25% image contrast and thus enabled detection of electron areal density gradients with a maximum value of 8.1 ± 0.5 × 1023 cm-3 in a low-Z millimeter sized sample. An electron density profile was obtained from refraction measurements with an error of x-ray source-size, similar to conventional radiography.

Determination of Jupiter's electron density profile from plasma wave observations

International Nuclear Information System (INIS)

Gurnett, D.A.; Scarf, F.L.; Kurth, W.S.; Shaw, R.R.; Poynter, R.L.

1981-01-01

This paper summarizes the electron density measurements obtained in the Jovian magnetosphere from the plasma wave instruments on the Voyager 1 and 2 spacecraft. Three basic techniques are discussed for determining the electron density: (1) local measurements from the low-frequency cutoff of continuum radiation, (2) local measurements from the frequency of upper hybrid resonance emissions, and (3) integral measurements from the dispersion of whistlers. The limitations and advantages of each technique are critically reviewed. In all cases the electron densities are unaffected by spacecraft charging or sheath effects, which makes these measurements of particular importance for verifying in situ plasma and low-energy charged particle measurments. In the outer regions of the dayside magnetosphere, beyond about 40 R/sub J/, the electron densities range from about 3 x 10 -3 to 3 x 10 -2 cm -3 . On Voyager 2, several brief excursions apparently occurred into the low-density region north of the plasma sheet with densities less than 10 -3 cm -3 . Approaching the planet the electron density gradually increases, with the plasma frequency extending above the frequency range of the plasma wave instrument (56 kHz, or about 38 electrons cm -3 ) inside of about 8 R/sub J/. Within the high-density region of the Io plasma torus, whistlers provide measurements of the north-south scale height of the plasma torus, with scale heights ranging from about 0.9 to 2.5 R/sub J/

Electronic structure of the Fe2 molecule in the local-spin-density approximation

International Nuclear Information System (INIS)

Dhar, S.; Kestner, N.R.

1988-01-01

Ab initio self-consistent all-electron spin-polarized calculations have been performed for the ground-state properties of the Fe 2 molecule using the local-spin-density approximation. A Gaussian orbital basis is employed and all the two-electron integrals are evaluated analytically. The matrix elements of the exchange-correlation potential are computed numerically. The total energy, the binding energy, the equilibrium distance, vibrational frequency, and the ground-state configurations are reported and compared with other calculations and experimental results

Topside electron density at low latitudes

International Nuclear Information System (INIS)

Ezquer, R.G.; Cabrera, M.A.; Flores, R.F.; Mosert, M.

2002-01-01

The validity of IRI to predict the electron density at the topside electron density profile over the low latitude region is checked. The comparison with measurements obtained with the Taiyo satellite during low solar activity shows that, the disagreement between prediction and measurement is lower than 40% for 70% of considered cases. These IRI predictions are better than those obtained in a previous work at the southern peak of the equatorial anomaly for high solar activity. Additional studies for low solar activity, using ionosonde data as input parameters in the model, are needed in order to check if the observed deviations are due to the predicted peak characteristics or to the predicted shape of the topside profile. (author)

Temporal Behavior of the Ionospheric Electron Density at Low Latitudes: First Glimpse

Science.gov (United States)

Gjerloev, J. W.; Humberset, B. K.; Gonzalez, S. A.; Garnett Marques Brum, C.

2013-12-01

In this paper we address the spatiotemporal characteristics of the electron density at 150 km altitude in the low latitude ionosphere above the Arecibo Observatory. We utilize a new pointing mode that allows us to probe the same volume in the ionosphere for a continuous period of approximately 25 min. or more. The ISR profiles have 150 m range resolution and samples have a 10-second time resolution; we probed 60 individual regions uniformly spaced in local times and covering the full 24 hours. For each time series we determine the total derivative of the electron density using a narrow Hanning bandpass filter that allow us to determine the variability at different frequencies. This is done for each of the 60 local time regions. We further compare to widely used static statistical models and test their underlying assumption: Dynamics can be ignored.

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

International Nuclear Information System (INIS)

Gori-Giorgi, Paola; Savin, Andreas

2006-01-01

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

Total binding energy of heavy positive ions including density treatment of Darwin and Breit corrections

International Nuclear Information System (INIS)

Hill, S.H.; Grout, P.J.; March, N.H.

1987-01-01

Previous work on the relativistic Thomas-Fermi treatment of total energies of neutral atoms is first generalised to heavy positive ions. To facilitate quantitative contact with the numerical predictions of Dirac-Fock theory, Darwin and Breit corrections are expressed in terms of electron density, and computed using input again from relativistic Thomas-Fermi theory. These corrections significantly improve the agreement between the two seemingly very different theories. (author)

Electron density measurements in the TRIAM-1 tokamak

Energy Technology Data Exchange (ETDEWEB)

Mitarai, O; Nakashima, H; Nakamura, K; Hiraki, N; Toi, K [Kyushu Univ., Fukuoka (Japan). Research Inst. for Applied Mechanics

1980-02-01

Electron density measurements in the TRIAM-1 tokamak are carried out by a 140 GHz microwave interferometer. To follow rapid density variations, a high-speed direct-reading type interferometer is constructed. The density of (1 - 20) x 10/sup 13/ cm/sup -3/ is measured.

Electron density measurements in the TRIAM-1 tokamak

International Nuclear Information System (INIS)

Mitarai, Osamu; Nakashima, Hisatoshi; Nakamura, Kazuo; Hiraki, Naoji; Toi, Kazuo

1980-01-01

Electron density measurements in the TRIAM-1 tokamak are carried out by a 140 GHz microwave interferometer. To follow rapid density variations, a high-speed direct-reading type interferometer is constructed. The density of (1 - 20) x 10 13 cm -3 is measured. (author)

Spin polarized and density modulated phases in symmetric electron-electron and electron-hole bilayers.

Science.gov (United States)

Kumar, Krishan; Moudgil, R K

2012-10-17

We have studied symmetric electron-electron and electron-hole bilayers to explore the stable homogeneous spin phase and the feasibility of inhomogeneous charge-/spin-density ground states. The former is resolved by comparing the ground-state energies in states of different spin polarizations, while the latter is resolved by searching for a divergence in the wavevector-dependent static charge/spin susceptibility. For this endeavour, we have used the dielectric approach within the self-consistent mean-field theory of Singwi et al. We find that the inter-layer interactions tend to change an abrupt spin-polarization transition of an isolated layer into a nearly gradual one, even though the partially spin-polarized phases are not clearly stable within the accuracy of our calculation. The transition density is seen to decrease with a reduction in layer spacing, implying a suppression of spin polarization by inter-layer interactions. Indeed, the suppression shows up distinctly in the spin susceptibility computed from the spin-polarization dependence of the ground-state energy. However, below a critical layer spacing, the unpolarized liquid becomes unstable against a charge-density-wave (CDW) ground state at a density preceding full spin polarization, with the transition density for the CDW state increasing on further reduction in the layer spacing. Due to attractive e-h correlations, the CDW state is found to be more pronounced in the e-h bilayer. On the other hand, the static spin susceptibility diverges only in the long-wavelength limit, which simply represents a transition to the homogeneous spin-polarized phase.

Simulation of the electron cloud density in BEPC II

International Nuclear Information System (INIS)

Liu Yudong; Guo Zhiyuan; Wang Jiuqing

2004-01-01

Electron Cloud Instability (ECI) may take place in positron storage ring when the machine is operated with multi-bunch positron beam. According to the actual shape of the vacuum chamber in the BEPC II, a program has been developed. With the code, authors can calculate the electron density in the chamber with different length of antechamber and the different secondary electron yield respectively. By the simulation, the possibility to put clearing electrodes in the chamber to reduce the electron density in the central region of the chamber is investigated. The simulation provides meaningful and important results for the BEPC II project and electron cloud instability research

Symmetry properties of the electron density and following from it limits on the KS-DFT applications

Science.gov (United States)

Kaplan, Ilya G.

2018-03-01

At present, the Density Functional Theory (DFT) approach elaborated by Kohn with co-authors more than 50 years ago became the most widely used method for study molecules and solids. Using modern computation facilities, it can be applied to systems with million atoms. In the atmosphere of such great popularity, it is particularly important to know the limits of the applicability of DFT methods. In this report, I will discuss two cases when the conventional DFT approaches, using only electron density ρ and its gradients, cannot be applied (I will not consider the Ψ-versions of DFT). The first case is quite evident. In the degenerated states, the electron density may not be defined, since electronic and nuclear motions cannot be separated, the vibronic interaction mixed them. The second case is related to the spin of the state. As it was rigorously proved by group theoretical methods at the theorem level, the electron density does not depend on the total spin S of the arbitrary N-electron state. It means that the Kohn-Sham equations have the same form for states with different S. The critical survey of elaborated DFT procedures, taking into account spin, shows that they modified only exchange functionals, the correlation functionals do not correspond to the spin of the state. The point is that the conception of spin cannot be defined in the framework of the electron density formalism, which corresponds to the one-particle reduced density matrix. This is the main reason of the problems arising in the study by DFT of magnetic properties of the transition metals. The possible way of resolving these problems can be found in the two-particle reduced density matrix formulation of DFT.

Electronic structure and electron momentum density in TiSi

Energy Technology Data Exchange (ETDEWEB)

Ghaleb, A.M. [Department of Physics, College of Science, University of Kirkuk, Kirkuk (Iraq); Mohammad, F.M. [Department of Physics, College of Science, University of Tikreet, Tikreet (Iraq); Sahariya, Jagrati [Department of Physics, University College of Science, M.L. Sukhadia University, Udaipur 313001, Rajasthan (India); Sharma, Mukesh [Physics Division, Forensic Science Laboratory, Jaipur, Rajasthan (India); Ahuja, B.L., E-mail: blahuja@yahoo.com [Department of Physics, University College of Science, M.L. Sukhadia University, Udaipur 313001, Rajasthan (India)

2013-03-01

We report the electron momentum density in titanium monosilicide using {sup 241}Am Compton spectrometer. Experimental Compton profile has been compared with the theoretical profiles computed using linear combination of atomic orbitals (LCAO). The energy bands, density of states and Fermi surface structures of TiSi are reported using the LCAO and the full potential linearized augmented plane wave methods. Theoretical anisotropies in directional Compton profiles are interpreted in terms of energy bands. To confirm the conducting behavior, we also report the real space analysis of experimental Compton profile of TiSi.

Precision Electron Density Measurements in the SSX MHD Wind Tunnel

Science.gov (United States)

Suen-Lewis, Emma M.; Barbano, Luke J.; Shrock, Jaron E.; Kaur, Manjit; Schaffner, David A.; Brown, Michael R.

2017-10-01

We characterize fluctuations of the line averaged electron density of Taylor states produced by the magnetized coaxial plasma gun of the SSX device using a 632.8 nm HeNe laser interferometer. The analysis method uses the electron density dependence of the refractive index of the plasma to determine the electron density of the Taylor states. Typical magnetic field and density values in the SSX device approach about B ≅ 0.3 T and n = 0 . 4 ×1016 cm-3 . Analysis is improved from previous density measurement methods by developing a post-processing method to remove relative phase error between interferometer outputs and to account for approximately linear phase drift due to low-frequency mechanical vibrations of the interferometer. Precision density measurements coupled with local measurements of the magnetic field will allow us to characterize the wave composition of SSX plasma via density vs. magnetic field correlation analysis, and compare the wave composition of SSX plasma with that of the solar wind. Preliminary results indicate that density and magnetic field appear negatively correlated. Work supported by DOE ARPA-E ALPHA program.

Ionization of liquid argon by x-rays: effect of density on electron thermalization and free ion yields

International Nuclear Information System (INIS)

Huang, S.S.-S.; Gee, N.; Freeman, G.R.

1991-01-01

Free ion yields were measured in liquid argon as a function of electric field strength at densities 736-1343 kg/m 3 (temperatures 149-95 K). The field dependence of the yields was parametrized using the extended Onsager and box models. Over the present density range the total ion yield was constant within 1% and was taken as 4.4, the average of earlier values at 87-91 K. The absence of internal vibrational modes in argon makes its electron thermalizing ability smaller than that of methane. The electron thermalization distance b GP in liquid argon is 3-5 times longer than that in liquid methane at a given d/d c (d c = critical fluid density). (author)

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

Energy Technology Data Exchange (ETDEWEB)

Motta, M.; Galli, D. E. [Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Moroni, S. [IOM-CNR DEMOCRITOS National Simulation Center and SISSA, Via Bonomea 265, 34136 Trieste (Italy); Vitali, E. [Department of Physics, College of William and Mary, Williamsburg, Virginia 23187-8795 (United States)

2015-10-28

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

The calculation of electron density of the non-ideal argon plasma

International Nuclear Information System (INIS)

Jiang Ming; Cheng Xinlu; Yang Xiangdong

2004-01-01

By the screened hydrogenic model, the paper calculates the electron densities of shock-generated argon plasma with temperature T∼2.0 eV and density of plasma ρ∼0.01 g/cm 3 -0.49 g/cm 3 , and studies the influence on electron density caused by interparticle interaction at the different temperature and density of plasma. (author)

Multicomponent density functional theory embedding formulation

Energy Technology Data Exchange (ETDEWEB)

Culpitt, Tanner; Brorsen, Kurt R.; Pak, Michael V.; Hammes-Schiffer, Sharon, E-mail: shs3@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Ave, Urbana, Illinois 61801 (United States)

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{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.

Electron scattering by nuclei and transition charge densities

International Nuclear Information System (INIS)

Gul'karov, I.S.

1988-01-01

Transition charge densities for states of electric type, for nuclei with A≤40--50 as obtained from data on inelastic electron scattering, are studied. The formalism of electroexcitation of nuclei is considered, together with various models (macroscopic and microscopic) used to calculate form factors, transition charge densities, and the moments of these densities: B(Eλ) and R/sub λ/ . The macroscopic models are derived microscopically, and it is shown that the model-independent sum rules lead to the same transition densities as calculations based on various hydrodynamic models. The sum rules with and without allowance for the Skyrme exchange interaction are discussed. The results of the calculations are compared with the experimental form factors of electron scattering by nuclei from 12 C to 48 Ca with excitation in them of normal-parity states with I/sup π/ = 0 + , 1 - , 2 + , 3 - , 4 + , 5 - and T = 0. The model-independent transition charge densities for the weakly collectivized excitations differ strongly from the model-dependent densities. The influence of neutrons on the transition charge densities of the nuclear isotopes 16 /sup ,/ 18 O, 32 /sup ,/ 34 S, and 40 /sup ,/ 48 Ca is considered

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

Science.gov (United States)

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.

Clinical implementation of total skin electron irradiation treatment with a 6 MeV electron beam in high-dose total skin electron mode

International Nuclear Information System (INIS)

Lucero, J. F.; Rojas, J. I.

2016-01-01

Total skin electron irradiation (TSEI) is a special treatment technique offered by modern radiation oncology facilities, given for the treatment of mycosis fungoides, a rare skin disease, which is type of cutaneous T-cell lymphoma [1]. During treatment the patient’s entire skin is irradiated with a uniform dose. The aim of this work is to present implementation of total skin electron irradiation treatment using IAEA TRS-398 code of practice for absolute dosimetry and taking advantage of the use of radiochromic films.

Clinical implementation of total skin electron irradiation treatment with a 6 MeV electron beam in high-dose total skin electron mode

Energy Technology Data Exchange (ETDEWEB)

Lucero, J. F., E-mail: fernando.lucero@hoperadiotherapy.com.gt [Universidad Nacional de Costa Rica, Heredia (Costa Rica); Hope International, Guatemala (Guatemala); Rojas, J. I., E-mail: isaac.rojas@siglo21.cr [Centro Médico Radioterapia Siglo XXI, San José (Costa Rica)

2016-07-07

Total skin electron irradiation (TSEI) is a special treatment technique offered by modern radiation oncology facilities, given for the treatment of mycosis fungoides, a rare skin disease, which is type of cutaneous T-cell lymphoma [1]. During treatment the patient’s entire skin is irradiated with a uniform dose. The aim of this work is to present implementation of total skin electron irradiation treatment using IAEA TRS-398 code of practice for absolute dosimetry and taking advantage of the use of radiochromic films.

Preionization electron density measurement by collecting electric charge

International Nuclear Information System (INIS)

Giordano, G.; Letardi, T.

1988-01-01

A method using electron collection for preionization-electron number density measurements is presented. A cathode-potential drop model is used to describe the measurement principle. There is good agreement between the model and the experimental result

Density-density functionals and effective potentials in many-body electronic structure calculations

International Nuclear Information System (INIS)

Reboredo, Fernando A.; Kent, Paul R.

2008-01-01

We demonstrate the existence of different density-density functionals designed to retain selected properties of the many-body ground state in a non-interacting solution starting from the standard density functional theory ground state. We focus on diffusion quantum Monte Carlo applications that require trial wave functions with optimal Fermion nodes. The theory is extensible and can be used to understand current practices in several electronic structure methods within a generalized density functional framework. The theory justifies and stimulates the search of optimal empirical density functionals and effective potentials for accurate calculations of the properties of real materials, but also cautions on the limits of their applicability. The concepts are tested and validated with a near-analytic model.

High current density M-type cathodes for vacuum electron devices

International Nuclear Information System (INIS)

Li Ji; Yu Zhiqiang; Shao Wensheng; Zhang Ke; Gao Yujuan; Yuan Haiqing; Wang Hui; Huang Kaizhi; Chen Qilue; Yan Suqiu; Cai Shaolun

2005-01-01

We investigated high current density emission capabilities of M-type cathodes used for vacuum electron devices (VEDs). The experimental results of emission and lifetime evaluating in both close-spaced diode structure and electron gun testing vehicles are given. Emission current densities measured in the diode structure at 1020 deg. C Br in the CW mode were above 10 A/cm 2 ; while in electron gun testing vehicles, emission current densities were above 8 A/cm 2 in CW mode and above 32 A/cm 2 in pulsed mode, respectively. The current density above 94 A/cm 2 has been acquired in no. 0306 electron gun vehicle while the practical temperature is 1060 deg. C Br . For a comparison some of the data from I-scandate cathodes are presented. Finally, several application examples in practical travelling wave tubes (TWTs) and multi beam klystrons (MBKs) are also reported

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

Science.gov (United States)

2016-11-01

Free Electron Density in Laser-Produced Plasmas by Anthony R Valenzuela Approved for public release; distribution is...AND SUBTITLE Shack-Hartmann Electron Densitometer (SHED): An Optical System for Diagnosing Free Electron Density in Laser-Produced Plasmas 5a...SUPPLEMENTARY NOTES 14. ABSTRACT The Shack-Hartmann Electron Densitometer is a novel method to diagnose ultrashort pulse laser–produced plasmas

Energy-momentum density of graphite by electron-momentum spectroscopy

International Nuclear Information System (INIS)

Vos, M.; Fang, Z.; Canney, S.; Kheifets, A.; McCarthy, I.E.; Weigold, E.

1996-11-01

The energy-resolved electron momentum density of graphite has been measured along a series of well-defined directions using electron momentum spectroscopy (EMS). This is the first measurement of this kind performed on a single-crystal target with a thoroughly controlled orientation which clearly demonstrates the different nature of the σ and π bands in graphite. Good agreement between the calculated density and the measured one is found, further establishing that fact that EMS yields more direct and complete information on the valence electronic structure that any other method. 12 refs., 2 figs

Method for controlling low-energy high current density electron beams

International Nuclear Information System (INIS)

Lee, J.N.; Oswald, R.B. Jr.

1977-01-01

A method and an apparatus for controlling the angle of incidence of low-energy, high current density electron beams are disclosed. The apparatus includes a current generating diode arrangement with a mesh anode for producing a drifting electron beam. An auxiliary grounded screen electrode is placed between the anode and a target for controlling the average angle of incidence of electrons in the drifting electron beam. According to the method of the present invention, movement of the auxiliary screen electrode relative to the target and the anode permits reliable and reproducible adjustment of the average angle of incidence of the electrons in low energy, high current density relativistic electron beams

Prediction of total electron content using the international reference ionosphere

International Nuclear Information System (INIS)

Mcnamara, L.F.

1984-01-01

It is pointed out that the International Reference Ionosphere (IRI) is an empirical model of the ionosphere based on experimental observations. Rawer et al. (1978) have discussed the goals and status of the IRI. The aim of the IRI is related to the establishment of a compendium of height profiles through the ionosphere for the four main parameters, taking into account plasma density, temperature of ions and electrons, and ion composition. The present model is inadequate in some areas, and the IRI working group has encouraged tests of the model's validity. The present investigation is concerned with a test of the model's ability to reproduce observations of total electron content (TEC) over a wide range of conditions. The TEC observations were obtained with the aid of the Faraday rotation technique, which provides the TEC out to about 2000 km. Tests using the Bent ionospheric model indicate that the altitude range 1000 to 2000 km contributes up to five percent of the TEC. 12 references

Covariance and correlation estimation in electron-density maps.

Science.gov (United States)

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

2012-03-01

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

X-ray electron density distribution of GaAs

International Nuclear Information System (INIS)

Pietsch, U.

1986-01-01

Using ten X-ray structure amplitudes of strong reflections and nine weak reflections both, the valence electron and the difference electron density distribution of GaAs, are calculated. The experimental data are corrected for anomalous dispersion using a bond charge model. The calculated plots are compared with up to now published band structure-based and semiempirically calculated density plots. Taking into account the experimental data of germanium, measured on the same absolute scale, the difference density between GaAs and Ge is calculated. This exhibits the charge transfer between both the f.c.c.-sublattices as well as both, the shift and the decrease of the bond charge, quite closely connected to the theoretical results published by Baur et al. (author)

Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry

OpenAIRE

Luis R. Domingo

2016-01-01

A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT), the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through ...

The validity of the density scaling method in primary electron transport for photon and electron beams

International Nuclear Information System (INIS)

Woo, M.K.; Cunningham, J.R.

1990-01-01

In the convolution/superposition method of photon beam dose calculations, inhomogeneities are usually handled by using some form of scaling involving the relative electron densities of the inhomogeneities. In this paper the accuracy of density scaling as applied to primary electrons generated in photon interactions is examined. Monte Carlo calculations are compared with density scaling calculations for air and cork slab inhomogeneities. For individual primary photon kernels as well as for photon interactions restricted to a thin layer, the results can differ significantly, by up to 50%, between the two calculations. However, for realistic photon beams where interactions occur throughout the whole irradiated volume, the discrepancies are much less severe. The discrepancies for the kernel calculation are attributed to the scattering characteristics of the electrons and the consequent oversimplified modeling used in the density scaling method. A technique called the kernel integration technique is developed to analyze the general effects of air and cork inhomogeneities. It is shown that the discrepancies become significant only under rather extreme conditions, such as immediately beyond the surface after a large air gap. In electron beams all the primary electrons originate from the surface of the phantom and the errors caused by simple density scaling can be much more significant. Various aspects relating to the accuracy of density scaling for air and cork slab inhomogeneities are discussed

Density-dependent electron scattering in photoexcited GaAs in strongly diffusive regime

DEFF Research Database (Denmark)

Mics, Zoltán; D’Angio, Andrea; Jensen, Søren A.

2013-01-01

In a series of systematic optical pump–terahertz probe experiments, we study the density-dependent electron scattering rate in photoexcited GaAs in the regime of strong carrier diffusion. The terahertz frequency-resolved transient sheet conductivity spectra are perfectly described by the Drude...... model, directly yielding the electron scattering rates. A diffusion model is applied to determine the spatial extent of the photoexcited electron-hole gas at each moment after photoexcitation, yielding the time-dependent electron density, and hence the density-dependent electron scattering time. We find...

Electron density interferometry measurement in laser-matter interaction

International Nuclear Information System (INIS)

Popovics-Chenais, C.

1981-05-01

This work is concerned with the laser-interferometry measurement of the electronic density in the corona and the conduction zone external part. Particularly, it is aimed at showing up density gradients and at their space-time localization. The first chapter recalls the density profile influence on the absorption principal mechanisms and the laser energy transport. In chapter two, the numerical and analytical hydrodynamic models describing the density profile are analysed. The influence on the density profile of the ponderomotive force associated to high oscillating electric fields is studied, together with the limited thermal conduction and suprathermal electron population. The mechanism action, in our measurement conditions, is numerically simulated. Calculations are made with experimental parameters. The measurement interaction conditions, together with the diagnostic method by high resolution laser interferometry are detailed. The results are analysed with the help of numerical simulation which is the experiment modeling. An overview of the mechanisms shown up by interferometric measurements and their correlation with other diagnostics is the conclusion of this work [fr

Electron density measurements during ion beam transport on Gamble II

International Nuclear Information System (INIS)

Weber, B.V.; Hinshelwood, D.D.; Neri, J.M.; Ottinger, P.F.; Rose, D.V.; Stephanakis, S.J.; Young, F.C.

1999-01-01

High-sensitivity laser interferometry was used to measure the electron density created when an intense proton beam (100 kA, 1 MeV, 50 ns) from the Gamble II generator was transported through low-pressure gas as part of a project investigating Self-Pinched Transport (SPT) of intense ion beams. This measurement is non-perturbing and sufficiently quantitative to allow benchmarking of codes (particularly IPROP) used to model beam-gas interaction and ion-beam transport. Very high phase sensitivity is required for this measurement. For example, a 100-kA, 1-MeV, 10-cm-radius proton beam with uniform current density has a line-integrated proton density equal to n b L = 3 x 10 13 cm -2 . An equal electron line-density, n e L = n b L, (expected for transport in vacuum) will be detected as a phase shift of the 1.064 microm laser beam of only 0.05degree, or an optical path change of 1.4 x 10 -4 waves (about the size of a hydrogen atom). The time-history of the line-integrated electron density, measured across a diameter of the transport chamber at 43 cm from the input aperture, starts with the proton arrival time and decays differently depending on the gas pressure. The gas conditions included vacuum (10 -4 Torr air), 30 to 220 mTorr He, and 1 Torr air. The measured densities vary by three orders of magnitude, from 10 13 to 10 16 cm -2 for the range of gas pressures investigated. In vacuum, the measured electron densities indicate only co-moving electrons (n e L approximately n b L). In He, when the gas pressure is sufficient for ionization by beam particles and SPT is observed, n e L increases to about 10 n b L. At even higher pressures where electrons contribute to ionization, even higher electron densities are observed with an ionization fraction of about 2%. The diagnostic technique as used on the SPT experiment will be described and a summary of the results will be given. The measurements are in reasonable agreement with theoretical predictions from the IPROP code

Assessing the effect of electron density in photon dose calculations

International Nuclear Information System (INIS)

Seco, J.; Evans, P. M.

2006-01-01

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

Accuracy of the Hartree-Fock and local density approximations for electron densities: a study for light atoms

International Nuclear Information System (INIS)

Almbladh, C.-O.; Ekenberg, U.; Pedroza, A.C.

1983-01-01

The authors compare the electron densities and Hartree potentials in the local density and the Hartree-Fock approximations to the corresponding quantities obtained from more accurate correlated wavefunctions. The comparison is made for a number of two-electron atoms, Li, and for Be. The Hartree-Fock approximation is more accurate than the local density approximation within the 1s shell and for the spin polarization in Li, while the local density approximation is slightly better than the Hartree-Fock approximation for charge densities in the 2s shell. The inaccuracy of the Hartree-Fock and local density approximations to the Hartree potential is substantially smaller than the inaccuracy of the local density approximation to the ground-state exchange-correlation potential. (Auth.)

Electron momentum density measurements by means of positron annihilation and Compton spectroscopy

International Nuclear Information System (INIS)

Gerber, W.; Dlubek, G.; Marx, U.; Bruemmer, O.; Prautzsch, J.

1982-01-01

The electron momentum density is measured applying positron annihilation and Compton spectroscopy in order to get information about electron wave functions. Compton spectroscopic measurements of Pd-Ag and Cu-Zn alloy systems are carried out taking into account crystal structure, mixability, and order state. Three-dimensional momentum densities of silicon are determined in order to get better information about its electronic structure. The momentum density and the spin density of ferromagnetic nickel are investigated using angular correlation curves

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

International Nuclear Information System (INIS)

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

2011-01-01

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

Plasma density profiles and finite bandwidth effects on electron heating

International Nuclear Information System (INIS)

Spielman, R.B.; Mizuno, K.; DeGroot, J.S.; Bollen, W.M.; Woo, W.

1980-01-01

Intense, p-polarized microwaves are incident on an inhomogeneous plasma in a cylindrical waveguide. Microwaves are mainly absorbed by resonant absorption near the critical surface (where the plasma frequency, ω/sub pe/, equals the microwave frequency, ω/sub o/). The localized plasma waves strongly modify the plasma density. Step-plateau density profiles or a cavity are created depending on the plasma flow speed. Hot electron production is strongly affected by the microwave bandwidth. The hot electron temperature varies as T/sub H/ is proportional to (Δ ω/ω) -0 25 . As the hot electron temperature decreases with increasing driver bandwidth, the hot electron density increases. This increase is such that the heat flux into the overdense region (Q is proportional to eta/sub H/T/sub H/ 3 2 ) is nearly constant

Probing the Milky Way electron density using multi-messenger astronomy

Science.gov (United States)

Breivik, Katelyn; Larson, Shane

2015-04-01

Multi-messenger observations of ultra-compact binaries in both gravitational waves and electromagnetic radiation supply highly complementary information, providing new ways of characterizing the internal dynamics of these systems, as well as new probes of the galaxy itself. Electron density models, used in pulsar distance measurements via the electron dispersion measure, are currently not well constrained. Simultaneous radio and gravitational wave observations of pulsars in binaries provide a method of measuring the average electron density along the line of sight to the pulsar, thus giving a new method for constraining current electron density models. We present this method and assess its viability with simulations of the compact binary component of the Milky Way using the public domain binary evolution code, BSE. This work is supported by NASA Award NNX13AM10G.

Analysis of the Effect of Electron Density Perturbations Generated by Gravity Waves on HF Communication Links

Science.gov (United States)

Fagre, M.; Elias, A. G.; Chum, J.; Cabrera, M. A.

2017-12-01

In the present work, ray tracing of high frequency (HF) signals in ionospheric disturbed conditions is analyzed, particularly in the presence of electron density perturbations generated by gravity waves (GWs). The three-dimensional numerical ray tracing code by Jones and Stephenson, based on Hamilton's equations, which is commonly used to study radio propagation through the ionosphere, is used. An electron density perturbation model is implemented to this code based upon the consideration of atmospheric GWs generated at a height of 150 km in the thermosphere and propagating up into the ionosphere. The motion of the neutral gas at these altitudes induces disturbances in the background plasma which affects HF signals propagation. To obtain a realistic model of GWs in order to analyze the propagation and dispersion characteristics, a GW ray tracing method with kinematic viscosity and thermal diffusivity was applied. The IRI-2012, HWM14 and NRLMSISE-00 models were incorporated to assess electron density, wind velocities, neutral temperature and total mass density needed for the ray tracing codes. Preliminary results of gravity wave effects on ground range and reflection height are presented for low-mid latitude ionosphere.

Rocket measurements of electron density irregularities during MAC/SINE

Science.gov (United States)

Ulwick, J. C.

1989-01-01

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

Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry.

Science.gov (United States)

Domingo, Luis R

2016-09-30

A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT), the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through a rigorous quantum chemical analysis of the changes of the electron density as well as the energies associated with these changes along the reaction path in order to understand experimental outcomes. Studies performed using MEDT allow establishing a modern rationalisation and to gain insight into molecular mechanisms and reactivity in Organic Chemistry.

Fast-electron self-collimation in a plasma density gradient

International Nuclear Information System (INIS)

Yang, X. H.; Borghesi, M.; Robinson, A. P. L.

2012-01-01

A theoretical and numerical study of fast electron transport in solid and compressed fast ignition relevant targets is presented. The principal aim of the study is to assess how localized increases in the target density (e.g., by engineering of the density profile) can enhance magnetic field generation and thus pinching of the fast electron beam through reducing the rate of temperature rise. The extent to which this might benefit fast ignition is discussed.

Accuracy of ab initio electron correlation and electron densities in vanadium dioxide

Science.gov (United States)

Kylänpää, Ilkka; Balachandran, Janakiraman; Ganesh, Panchapakesan; Heinonen, Olle; Kent, Paul R. C.; Krogel, Jaron T.

2017-11-01

Diffusion quantum Monte Carlo results are used as a reference to analyze properties related to phase stability and magnetism in vanadium dioxide computed with various formulations of density functional theory. We introduce metrics related to energetics, electron densities and spin densities that give us insight on both local and global variations in the antiferromagnetic M1 and R phases. Importantly, these metrics can address contributions arising from the challenging description of the 3 d orbital physics in this material. We observe that the best description of energetics between the structural phases does not correspond to the best accuracy in the charge density, which is consistent with observations made recently by Medvedev et al. [Science 355, 371 (2017), 10.1126/science.aag0410] in the context of isolated atoms. However, we do find evidence that an accurate spin density connects to correct energetic ordering of different magnetic states in VO2, although local, semilocal, and meta-GGA functionals tend to erroneously favor demagnetization of the vanadium sites. The recently developed SCAN functional stands out as remaining nearly balanced in terms of magnetization across the M1-R transition and correctly predicting the ground state crystal structure. In addition to ranking current density functionals, our reference energies and densities serve as important benchmarks for future functional development. With our reference data, the accuracy of both the energy and the electron density can be monitored simultaneously, which is useful for functional development. So far, this kind of detailed high accuracy reference data for correlated materials has been absent from the literature.

Local energy equation for two-electron atoms and relation between kinetic energy and electron densities

International Nuclear Information System (INIS)

March, N.H.

2002-08-01

In early work, Dawson and March [J. Chem. Phys. 81, 5850 (1984)] proposed a local energy method for treating both Hartree-Fock and correlated electron theory. Here, an exactly solvable model two-electron atom with pure harmonic interactions is treated in its ground state in the above context. A functional relation between the kinetic energy density t(r) at the origin r=0 and the electron density p(r) at the same point then emerges. The same approach is applied to the Hookean atom; in which the two electrons repel with Coulombic energy e 2 /r 12 , with r 12 the interelectronic separation, but are still harmonically confined. Again the kinetic energy density t(r) is the focal point, but now generalization away from r=0 is also effected. Finally, brief comments are added about He-like atomic ions in the limit of large atomic number. (author)

Calculation of effective atomic number and electron density of essential biomolecules for electron, proton, alpha particle and multi-energetic photon interactions

Science.gov (United States)

Kurudirek, Murat; Onaran, Tayfur

2015-07-01

Effective atomic numbers (Zeff) and electron densities (Ne) of some essential biomolecules have been calculated for total electron interaction, total proton interaction and total alpha particle interaction using an interpolation method in the energy region 10 keV-1 GeV. Also, the spectrum weighted Zeff for multi-energetic photons has been calculated using Auto-Zeff program. Biomolecules consist of fatty acids, amino acids, carbohydrates and basic nucleotides of DNA and RNA. Variations of Zeff and Ne with kinetic energy of ionizing charged particles and effective photon energies of heterogeneous sources have been studied for the given materials. Significant variations in Zeff and Ne have been observed through the entire energy region for electron, proton and alpha particle interactions. Non-uniform variation has been observed for protons and alpha particles in low and intermediate energy regions, respectively. The maximum values of Zeff have found to be in higher energies for total electron interaction whereas maximum values have found to be in relatively low energies for total proton and total alpha particle interactions. When it comes to the multi-energetic photon sources, it has to be noted that the highest Zeff values were found at low energy region where photoelectric absorption is the pre-dominant interaction process. The lowest values of Zeff have been shown in biomolecules such as stearic acid, leucine, mannitol and thymine, which have highest H content in their groups. Variation in Ne seems to be more or less the same with the variation in Zeff for the given materials as expected.

Using bremsstrahlung for electron density estimation and correction in EAST tokamak

Energy Technology Data Exchange (ETDEWEB)

Chen, Yingjie, E-mail: bestfaye@gmail.com; Wu, Zhenwei; Gao, Wei; Jie, Yinxian; Zhang, Jizong; Huang, Juan; Zhang, Ling; Zhao, Junyu

2013-11-15

Highlights: • The visible bremsstrahlung diagnostic provides a simple and effective tool for electron density estimation in steady state discharges. • This method can make up some disadvantages of present FIR and TS diagnostics in EAST tokamak. • Line averaged electron density has been deduced from central VB signal. The results can also be used for FIR n{sub e} correction. • Typical n{sub e} profiles have been obtained with T{sub e} and reconstructed bremsstrahlung profiles. -- Abstract: In EAST electron density (n{sub e}) is measured by the multi-channel far-infrared (FIR) hydrogen cyanide (HCN) interferometer and Thomson scattering (TS) diagnostics. However, it is difficult to obtain accurate n{sub e} profile for that there are many problems existing in current electron density diagnostics. Since the visible bremsstrahlung (VB) emission coefficient has a strong dependence on electron density, the visible bremsstrahlung measurement system developed to determine the ion effective charge (Z{sub eff}) may also be used for n{sub e} estimation via inverse operations. With assumption that Z{sub eff} has a flat profile and does not change significantly in steady state discharges, line averaged electron density (n{sup ¯}{sub e}) has been deduced from VB signals in L-mode and H-mode discharges in EAST. The results are in good coincidence with n{sup ¯}{sub e} from FIR, which proves that VB measurement is an effective tool for n{sub e} estimation. VB diagnostic is also applied to n{sup ¯}{sub e} correction when FIR n{sup ¯}{sub e} is wrong for the laser phase shift reversal together with noise causes errors when electron density changed rapidly in the H-mode discharges. Typical n{sub e} profiles in L-mode and H-mode phase are also deduced with reconstructed bremsstrahlung profiles.

Direct measurement of electron density in microdischarge at atmospheric pressure by Stark broadening

International Nuclear Information System (INIS)

Dong Lifang; Ran Junxia; Mao Zhiguo

2005-01-01

We present a method and results for measurement of electron density in atmospheric-pressure dielectric barrier discharge. The electron density of microdischarge in atmospheric pressure argon is measured by using the spectral line profile method. The asymmetrical deconvolution is used to obtain Stark broadening. The results show that the electron density in single filamentary microdischarge at atmospheric pressure argon is 3.05x10 15 cm -3 if the electron temperature is 10,000 K. The result is in good agreement with the simulation. The electron density in dielectric barrier discharge increases with the increase of applied voltage

Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry

Directory of Open Access Journals (Sweden)

Luis R. Domingo

2016-09-01

Full Text Available A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT, is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT, the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through a rigorous quantum chemical analysis of the changes of the electron density as well as the energies associated with these changes along the reaction path in order to understand experimental outcomes. Studies performed using MEDT allow establishing a modern rationalisation and to gain insight into molecular mechanisms and reactivity in Organic Chemistry.

Electron density and plasma dynamics of a colliding plasma experiment

Energy Technology Data Exchange (ETDEWEB)

Wiechula, J., E-mail: wiechula@physik.uni-frankfurt.de; Schönlein, A.; Iberler, M.; Hock, C.; Manegold, T.; Bohlender, B.; Jacoby, J. [Plasma Physics Group, Institute of Applied Physics, Goethe University, 60438 Frankfurt am Main (Germany)

2016-07-15

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

Collective laser light scattering from electron density fluctuations in fusion research plasmas (invited)

International Nuclear Information System (INIS)

Holzhauer, E.; Dodel, G.

1990-01-01

In magnetically confined plasmas density fluctuations of apparently turbulent nature with broad spectra in wave number and frequency space are observed which are thought to be the cause for anomalous energy and particle transport across the confining magnetic field. Collective laser light scattering has been used to study the nature of these fluctuations. Specific problems of scattering from fusion plasmas are addressed and illustrated with experimental results from the 119 μm far infrared laser scattering experiment operated on the ASDEX tokamak. Using the system in the heterodyne mode the direction of propagation with respect to the laboratory frame can be determined. Spatial resolution has bean improved by making use of the change in pitch of the total magnetic field across the minor plasma radius. Special emphasis is placed on the ohmic phase where a number of parameter variations including electron density, electron temperature, toroidal magnetic field, and filling gas were performed

Picture change error in quasirelativistic electron/spin density, Laplacian and bond critical points

KAUST Repository

Bučinský , Luká š; Kucková , Lenka; Malček, Michal; Koží šek, Jozef; Biskupič, Stanislav; Jayatilaka, Dylan; Bü chel, Gabriel E.; Arion, Vladimir B.

2014-01-01

The change of picture of the quasirelativistic Hartree-Fock wave functions is considered for electron/spin densities, the negative Laplacian of electron density and the appropriate bond critical point characteristics from the Quantum Theory of Atoms In Molecules (QTAIM). [OsCl5(Hpz)]- and [RuCl5(NO)]2- transition metal complexes are considered. Both, scalar relativistic and spin-orbit effects have been accounted for using the Infinite Order Two Component (IOTC) Hamiltonian. Picture change error (PCE) correction in the electron and spin densities and the Laplacian of electron density are treated analytically. Generally, PCE is found significant only in the core region of the atoms for the electron/spin density as well as Laplacian.©2014 Elsevier B.V. All rights reserved.

Picture change error in quasirelativistic electron/spin density, Laplacian and bond critical points

KAUST Repository

Bučinský, Lukáš

2014-06-01

The change of picture of the quasirelativistic Hartree-Fock wave functions is considered for electron/spin densities, the negative Laplacian of electron density and the appropriate bond critical point characteristics from the Quantum Theory of Atoms In Molecules (QTAIM). [OsCl5(Hpz)]- and [RuCl5(NO)]2- transition metal complexes are considered. Both, scalar relativistic and spin-orbit effects have been accounted for using the Infinite Order Two Component (IOTC) Hamiltonian. Picture change error (PCE) correction in the electron and spin densities and the Laplacian of electron density are treated analytically. Generally, PCE is found significant only in the core region of the atoms for the electron/spin density as well as Laplacian.©2014 Elsevier B.V. All rights reserved.

Evaporation of carbon using electrons of a high density plasma

International Nuclear Information System (INIS)

Muhl, S.; Camps, E.; Escobar A, L.; Garcia E, J.L.; Olea, O.

1999-01-01

The high density plasmas are used frequently in the preparation of thin films or surface modification, for example to nitridation. In these processes, are used mainly the ions and the neutrals which compose the plasma. However, the electrons present in the plasma are not used, except in the case of chemical reactions induced by collisions, although the electron bombardment usually get hot the work piece. Through the adequate polarization of a conductor material, it is possible to extract electrons from a high density plasma at low pressure, that could be gotten the evaporation of this material. As result of the interaction between the plasma and the electron flux with the vapor produced, this last will be ionized. In this work, it is reported the use of this novelty arrangement to prepare carbon thin films using a high density argon plasma and a high purity graphite bar as material to evaporate. It has been used substrates outside plasma and immersed in the plasma. Also it has been reported the plasma characteristics (temperature and electron density, energy and ions flux), parameters of the deposit process (deposit rate and ion/neutral rate) as well as the properties of the films obtained (IR absorption spectra and UV/Vis, elemental analysis, hardness and refractive index. (Author)

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

International Nuclear Information System (INIS)

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

2014-01-01

We measured the electron density in an extreme ultra-violet (EUV) induced plasma. This is achieved in a low-pressure argon plasma by using a method called microwave cavity resonance spectroscopy. The measured electron density just after the EUV pulse is 2.6 × 10 16  m −3 . This is in good agreement with a theoretical prediction from photo-ionization, which yields a density of 4.5 × 10 16  m −3 . After the EUV pulse the density slightly increases due to electron impact ionization. The plasma (i.e. electron density) decays in tens of microseconds. (fast track communication)

Reconstructing Regional Ionospheric Electron Density: A Combined Spherical Slepian Function and Empirical Orthogonal Function Approach

Science.gov (United States)

Farzaneh, Saeed; Forootan, Ehsan

2018-03-01

The computerized ionospheric tomography is a method for imaging the Earth's ionosphere using a sounding technique and computing the slant total electron content (STEC) values from data of the global positioning system (GPS). The most common approach for ionospheric tomography is the voxel-based model, in which (1) the ionosphere is divided into voxels, (2) the STEC is then measured along (many) satellite signal paths, and finally (3) an inversion procedure is applied to reconstruct the electron density distribution of the ionosphere. In this study, a computationally efficient approach is introduced, which improves the inversion procedure of step 3. Our proposed method combines the empirical orthogonal function and the spherical Slepian base functions to describe the vertical and horizontal distribution of electron density, respectively. Thus, it can be applied on regional and global case studies. Numerical application is demonstrated using the ground-based GPS data over South America. Our results are validated against ionospheric tomography obtained from the constellation observing system for meteorology, ionosphere, and climate (COSMIC) observations and the global ionosphere map estimated by international centers, as well as by comparison with STEC derived from independent GPS stations. Using the proposed approach, we find that while using 30 GPS measurements in South America, one can achieve comparable accuracy with those from COSMIC data within the reported accuracy (1 × 1011 el/cm3) of the product. Comparisons with real observations of two GPS stations indicate an absolute difference is less than 2 TECU (where 1 total electron content unit, TECU, is 1016 electrons/m2).

Electron density measurement for steady state plasmas

International Nuclear Information System (INIS)

Kawano, Yasunori; Chiba, Shinichi; Inoue, Akira

2000-01-01

Electron density of a large tokamak has been measured successfully by the tangential CO 2 laser polarimeter developed in JT-60U. The tangential Faraday rotation angles of two different wavelength of 9.27 and 10.6 μm provided the electron density independently. Two-color polarimeter concept for elimination of Faraday rotation at vacuum windows is verified for the first time. A system stability for long time operation up to ∼10 hours is confirmed. A fluctuation of a signal baseline is observed with a period of ∼3 hours and an amplitude of 0.4 - 0.7deg. In order to improve the polarimeter, an application of diamond window for reduction of the Faraday rotation at vacuum windows and another two-color polarimeter concept for elimination of mechanical rotation component are proposed. (author)

Determination of dislocation density by electron backscatter diffraction and X-ray line profile analysis in ferrous lath martensite

International Nuclear Information System (INIS)

Berecz, Tibor; Jenei, Péter; Csóré, András; Lábár, János; Gubicza, Jenő

2016-01-01

The microstructure and the dislocation density in as-quenched ferrous lath martensite were studied by different methods. The blocks, packets and variants formed due to martensitic transformation were identified and their sizes were determined by electron backscatter diffraction (EBSD). Concomitant transmission electron microscopy (TEM) investigation revealed that the laths contain subgrains with the size between 50 and 100 nm. A novel evaluation procedure of EBSD images was elaborated for the determination of the density and the space distribution of geometrically necessary dislocations from the misorientation distribution. The total dislocation density obtained by X-ray diffraction line profile analysis was in good agreement with the value determined by EBSD, indicating that the majority of dislocations formed due to martensitic transformation during quenching are geometrically necessary dislocations.

Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth.

Science.gov (United States)

Bučinský, Lukáš; Jayatilaka, Dylan; Grabowsky, Simon

2016-08-25

This study investigates the possibility of detecting relativistic effects and electron correlation in single-crystal X-ray diffraction experiments using the examples of diphenyl mercury (HgPh2) and triphenyl bismuth (BiPh3). In detail, the importance of electron correlation (ECORR), relativistic effects (REL) [distinguishing between total, scalar and spin-orbit (SO) coupling relativistic effects] and picture change error (PCE) on the theoretical electron density, its topology and its Laplacian using infinite order two component (IOTC) wave functions is discussed. This is to develop an understanding of the order of magnitude and shape of these different effects as they manifest in the electron density. Subsequently, the same effects are considered for the theoretical structure factors. It becomes clear that SO and PCE are negligible, but ECORR and scalar REL are important in low- and medium-order reflections on absolute and relative scales-not in the high-order region. As a further step, Hirshfeld atom refinement (HAR) and subsequent X-ray constrained wavefunction (XCW) fitting have been performed for the compound HgPh2 with various relativistic and nonrelativistic wave functions against the experimental structure factors. IOTC calculations of theoretical structure factors and relativistic HAR as well as relativistic XCW fitting are presented for the first time, accounting for both scalar and spin-orbit relativistic effects.

Simulation of electron beam from two strip electron guns and control of power density by rotation of gun

International Nuclear Information System (INIS)

Sahu, G K; Baruah, S; Thakur, K B

2012-01-01

Electron beam is preferably used for large scale evaporation of refractory materials. Material evaporation from a long and narrow source providing a well collimated wedge shaped atomic beam has applications in isotopic purification of metals relevant to nuclear industry. The electron beam from an electron gun with strip type filament provides a linear heating source. However, the high power density of the electron beam can lead to turbulence of the melt pool and undesirable splashing of molten metal. For obtaining quiet surface evaporation, the linear electron beam is generally scanned along its length. To further reduce the power density to maintain quiet evaporation the width of the vapour source can be controlled by rotating the electron gun on its plane, thereby scanning an inclined beam over the molten pool. The rotation of gun has further advantages. When multiple strip type electron guns are used for scaling up evaporation length, a dark zone appears between two beams due to physical separation of adjacent guns. This dark zone can be reduced by rotating the gun and thereby bringing two adjacent beams closer. The paper presented here provides the simulation results of the electron beam trajectory and incident power density originating from two strip electron guns by using in-house developed code. The effect of electron gun rotation on the electron beam trajectory and power density is studied. The simulation result is experimentally verified with the image of molten pool and heat affected zone taken after experiment. This technique can be gainfully utilized in controlling the time averaged power density of the electron beam and obtaining quiet evaporation from the metal molten pool.

Positivity of the spherically averaged atomic one-electron density

DEFF Research Database (Denmark)

Fournais, Søren; Hoffmann-Ostenhof, Maria; Hoffmann-Ostenhof, Thomas

2008-01-01

We investigate the positivity of the spherically averaged atomic one-electron density . For a which stems from a physical ground state we prove that for r ≥  0. This article may be reproduced in its entirety for non-commercial purposes.......We investigate the positivity of the spherically averaged atomic one-electron density . For a which stems from a physical ground state we prove that for r ≥  0. This article may be reproduced in its entirety for non-commercial purposes....

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

Science.gov (United States)

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.

Total cross sections for electron scattering by He

International Nuclear Information System (INIS)

De Heer, F.J.; Jansen, R.H.J.

1977-01-01

A set of total cross sections for scattering of electrons by He has been evaluated over the energy range of zero to 3000 eV by means of the analysis of experiments and theories on total cross sections for elastic scattering, ionisation and excitation, and on differential cross sections for elastic and inelastic scattering. Between 0 and 19.8 eV, where no inelastic processes occur, the total cross sections for scattering are equal to those for elastic scattering. Above 19.8 eV total cross sections for scattering of electrons have been evaluated by adding those for ionisation, excitation and elastic scattering. The total cross sections thus obtained are probably accurate to about 5% over a large part of the energy range. They appear to be in very good agreement with the recent experimental results of Blaauw et al. (J. Phys. B.; 10:L299 (1977)). The present results have already proved useful for application in the dispersion relation for forward scattering in electron-helium collisions. (author)

Excitation energies with linear response density matrix functional theory along the dissociation coordinate of an electron-pair bond in N-electron systems

International Nuclear Information System (INIS)

Meer, R. van; Gritsenko, O. V.; Baerends, E. J.

2014-01-01

Time dependent density matrix functional theory in its adiabatic linear response formulation delivers exact excitation energies ω α and oscillator strengths f α for two-electron systems if extended to the so-called phase including natural orbital (PINO) theory. The Löwdin-Shull expression for the energy of two-electron systems in terms of the natural orbitals and their phases affords in this case an exact phase-including natural orbital functional (PILS), which is non-primitive (contains other than just J and K integrals). In this paper, the extension of the PILS functional to N-electron systems is investigated. With the example of an elementary primitive NO functional (BBC1) it is shown that current density matrix functional theory ground state functionals, which were designed to produce decent approximations to the total energy, fail to deliver a qualitatively correct structure of the (inverse) response function, due to essential deficiencies in the reconstruction of the two-body reduced density matrix (2RDM). We now deduce essential features of an N-electron functional from a wavefunction Ansatz: The extension of the two-electron Löwdin-Shull wavefunction to the N-electron case informs about the phase information. In this paper, applications of this extended Löwdin-Shull (ELS) functional are considered for the simplest case, ELS(1): one (dissociating) two-electron bond in the field of occupied (including core) orbitals. ELS(1) produces high quality ω α (R) curves along the bond dissociation coordinate R for the molecules LiH, Li 2 , and BH with the two outer valence electrons correlated. All of these results indicate that response properties are much more sensitive to deficiencies in the reconstruction of the 2RDM than the ground state energy, since derivatives of the functional with respect to both the NOs and the occupation numbers need to be accurate

The implementation of real-time plasma electron density calculations on EAST

Energy Technology Data Exchange (ETDEWEB)

Zhang, Z.C., E-mail: zzc@ipp.ac.cn; Xiao, B.J.; Wang, F.; Liu, H.Q.; Yuan, Q.P.; Wang, Y.; Yang, Y.

2016-11-15

Highlights: • The real-time density calculation system (DCS) has been applied to the EAST 3-wave polarimeter-interferometer (POINT) system. • The new system based on Flex RIO acquires data at high speed and processes them in a short time. • Roll-over module is developed for density calculation. - Abstract: The plasma electron density is one of the most fundamental parameters in tokamak experiment. It is widely used in the plasma control system (PCS) real-time control, as well as plasma physics analysis. The 3-wave polarimeter-interferometer (POINT) system had been used to measure the plasma electron density on the EAST since last campaign. This paper will give the way to realize the real-time measurement of plasma electron density. All intermediate frequency (IF) signals after POINT system, in the 0.5–3 MHz range, stream to the real-time density calculation system (DCS) to extract the phase shift information. All the prototype hardware is based on NI Flex RIO device which contains a high speed Field Programmable Gate Array (FPGA). The original signals are sampled at 10 M Samples/s, and the data after roll-over module are transmitted to PCS by reflective memory (RFM). With this method, real-time plasma electron density data with high accuracy and low noise had been obtained in the latest EAST tokamak experiment.

Evaluating the performance of the Electron Density Assimilative Model (EDAM) in the Western European sector using modified Taylor diagrams

Science.gov (United States)

Jackson-Booth, N.; Parker, J.; Pryse, S. E.; Buckland, R.

2017-12-01

The Electron Density Assimilative Model (EDAM) is an ionospheric model that assimilates data sources into a background model, currently provided by IRI2007, to generate a global, or regional, 3D representation of the ionospheric electron density. In this study, slant total electron content (sTEC) between GPS satellites and 43 ground receivers in Europe were assimilated into EDAM to model the ionospheric electron density over western Europe. For the evaluation of the model an additional ground receiver (the truth station) was considered, which was not used in the assimilation process. Slant total electron contents for this station were calculated through the EDAM model along satellite-to-receiver paths corresponding to those of the observations made by the receiver. The modelled and observed sTEC were compared for each satellite and every day, between September 2002 and August 2003. For the comparison standard deviations of the modelled and observed sTEC were determined. These were used in modified Taylor Diagrams to display the mean-removed rms difference between the model and observations, the correlation between the two data sets and the bias of the modelled data. Taylor diagrams were obtained for the entire year, and each season and month. Results of the comparisons are presented and discussed, with a specific interest in times that show increased rms differences and decreased correlations between the data sets. The effect of the satellite calibration biases on the results are also considered.

Collimated fast electron beam generation in critical density plasma

Energy Technology Data Exchange (ETDEWEB)

Iwawaki, T., E-mail: iwawaki-t@eie.eng.osaka-u.ac.jp; Habara, H.; Morita, K.; Tanaka, K. A. [Graduate School of Engineering, Osaka University, 2-1, Yamada-oka, Suita, Osaka 565-0871 (Japan); Baton, S.; Fuchs, J.; Chen, S. [LULI, CNRS-Ecole Polytechnique-Université Pierre et Marie Curie-CEA, 91128 Palaiseau (France); Nakatsutsumi, M. [LULI, CNRS-Ecole Polytechnique-Université Pierre et Marie Curie-CEA, 91128 Palaiseau (France); European X-Ray Free-Electron Laser Facility (XFEL) GmbH (Germany); Rousseaux, C. [CEA, DAM, DIF, F-91297 Arpajon (France); Filippi, F. [La SAPIENZA, University of Rome, Dip. SBAI, 00161 Rome (Italy); Nazarov, W. [School of Chemistry, University of St. Andrews, North Haugh, St. Andrews, Fife KY16 9ST, Scotland (United Kingdom)

2014-11-15

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

The electronic density of states of disordered compounds

International Nuclear Information System (INIS)

Geertsma, W.; Dijkstra, J.

1984-11-01

Recently, the electronic properties of liquid alkali (Li, Na, K, Rb, Cs)-group IV (Si, Ge, Sn, Pb) alloys have been discussed by the present authors using a tight-binding model. Only anion orbitals (= group IV) are taken into account. Disorder is described by a pseudo lattice, which takes into account local coordination in one of the sublattices (cation or anion) only. In the first part of this paper it is shown that this approximation is consistent with the usual valence rules used by structural chemists for crystalline structures. In the second part of the paper the solutions for the density of states of the tight-binding Hamiltonian are studied for a number of pseudolattices. The infinite set of Green function equations is solved by using the effective transfer method, which replaces the famous Block condition. It is shown that such a model can explain the formation of bandgaps in disordered systems. By choosing the proper smallest cluster(s) of transfer loops to model the real structure by a pseudolattice, a density of states is obtained which represents properly that of the corresponding crystalline structure. Structures reminiscent to those caused by van Hove singularities already appear in the electronic density of states when relatively small cluster(s) of transfer loops are used. The approach outlined in this paper is capable of describing the electronic density of states due to various degrees of local order in a sublattice. Some of the peculiarities occurring in the solution of the density of states of certain pseudolattices, such as poles outside the band, are discussed in an appendix. (author)

Total Ionizing Dose Effects on Threshold Switching in 1T-Tantalum Disulfide Charge-Density-Wave Devices

OpenAIRE

Liu, G.; Zhang, E. X.; Liang, C. D.; Bloodgood, M. A.; Salguero, T. T.; Fleetwood, D. M.; Balandin, A. A.

2017-01-01

The 1T polytype of TaS2 exhibits voltage-triggered threshold switching as a result of a phase transition from nearly commensurate to incommensurate charge density wave states. Threshold switching, persistent above room temperature, can be utilized in a variety of electronic devices, e.g., voltage controlled oscillators. We evaluated the total-ionizing-dose response of thin film 1T-TaS2 at doses up to 1 Mrad(SiO2). The threshold voltage changed by less than 2% after irradiation, with persisten...

Mechanisms of the electron density depletion in the SAR arc region

Directory of Open Access Journals (Sweden)

A. V. Pavlov

1996-02-01

Full Text Available This study compares the measurements of electron density and temperature and the integral airglow intensity at 630 nm in the SAR arc region and slightly south of this (obtained by the Isis 2 spacecraft during the 18 December 1971 magnetic storm, with the model results obtained using the time dependent one-dimensional mathematical model of the Earth\\'s ionosphere and plasmasphere. The explicit expression in the third Enskog approximation for the electron thermal conductivity coefficient in the multicomponent mixture of ionized gases and a simplified calculation method for this coefficient presents an opportunity to calculate more exactly the electron temperature and density and 630 nm emission within SAR arc region are used in the model. Collisions between N2 and hot thermal electrons in the SAR arc region produce vibrationally excited nitrogen molecules. It appears that the loss rate of O+(4S due to reactions with the vibrationally excited nitrogen is enough to explain electron density depression by a factor of two at F-region heights and the topside ionosphere density variations within the SAR arc if the erosion of plasma within geomagnetic field tubes, during the main phase of the geomagnetic storm and subsequent filling of geomagnetic tubes during the recovery phase, are considered. To explain the disagreement by a factor 1.5 between the observed and modeled SAR arc electron densities an additional plasma drift velocity ~–30 m s–1 in the ion continuity equations is needed during the recovery phase. This additional plasma drift velocity is likely caused by the transition from convecting to corotating flux tubes on the equatorward wall of the trough. The electron densities and temperatures and 630 nm integral intensity at the SAR arc and slightly south of this region as measured for the 18 December 1971 magnetic storm were correctly described by the model without perpendicular electric fields. Within this model framework the effect of the

New Data on the Topside Electron Density Distribution

Science.gov (United States)

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.

Electric field and electron density thresholds for coherent auroral echo onset

International Nuclear Information System (INIS)

Kustov, A.V.; Uspensky, M.V.; Sofko, G.J.; Koehler, J.A.; Jones, G.O.L.; Williams, P.J.S.

1993-01-01

The authors study the threshold dependence of electron density and electric field for the observation of coherent auroral echo onset. They make use of Polar Geophysical Institute 83 MHz auroral radar and the EISCAT facility in Scandanavia, to simultaneously get plasma parameter information and coherent scatter observations. They observe an electron density threshold of roughly 2.5x10 11 m -3 for electric fields of 15 - 20 mV/m (near the Farley-Buneman instability threshold). For electric fields of 5 - 10 mV/m echos are not observed for even twice the previous electron density. Echo strength is observed to have other parametric dependences

The impact of edge gradients in the pressure, density, ion temperature, and electron temperature on edge-localized modes

International Nuclear Information System (INIS)

Kleva, Robert G.; Guzdar, Parvez N.

2011-01-01

The magnitude of the energy and particle fluxes in simulations of edge-localized modes (ELMs) is determined by the edge gradients in the pressure, density, ion temperature, and electron temperature. The total edge pressure gradient is the dominant influence on ELMs by far. An increase (decrease) of merely 2% in the pressure gradient results in an increase (decrease) of more than a factor of ten in the size of the ELM bursts. At a fixed pressure gradient, the size of the ELM bursts decreases as the density gradient increases, while the size of the bursts increases as the electron temperature gradient or, especially, the ion temperature gradient increases.

A new electron density model of the plasmasphere for operational applications and services

Science.gov (United States)

Jakowski, Norbert; Hoque, Mohammed Mainul

2018-03-01

The Earth's plasmasphere contributes essentially to total electron content (TEC) measurements from ground or satellite platforms. Furthermore, as an integral part of space weather, associated plasmaspheric phenomena must be addressed in conjunction with ionosphere weather monitoring by operational space weather services. For supporting space weather services and mitigation of propagation errors in Global Navigation Satellite Systems (GNSS) applications we have developed the empirical Neustrelitz plasmasphere model (NPSM). The model consists of an upper L shell dependent part and a lower altitude dependent part, both described by specific exponential decays. Here the McIllwain parameter L defines the geomagnetic field lines in a centered dipole model for the geomagnetic field. The coefficients of the developed approaches are successfully fitted to numerous electron density data derived from dual frequency GPS measurements on-board the CHAMP satellite mission from 2000 to 2005. The data are utilized for fitting up to the L shell L = 3 because a previous validation has shown a good agreement with IMAGE/RPI measurements up to this value. Using the solar radio flux index F10.7 as the only external parameter, the operation of the model is robust, with 40 coefficients fast and sufficiently accurate to be used as a background model for estimating TEC or electron density profiles in near real time GNSS applications and services. In addition to this, the model approach is sensitive to ionospheric coupling resulting in anomalies such as the Nighttime Winter Anomaly and the related Mid-Summer Nighttime Anomaly and even shows a slight plasmasphere compression of the dayside plasmasphere due to solar wind pressure. Modelled electron density and TEC values agree with estimates reported in the literature in similar cases.

Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities.

Science.gov (United States)

Holguín-Gallego, Fernando José; Chávez-Calvillo, Rodrigo; García-Revilla, Marco; Francisco, Evelio; Pendás, Ángel Martín; Rocha-Rinza, Tomás

2016-07-15

The electronic energy partition established by the Interacting Quantum Atoms (IQA) approach is an important method of wavefunction analyses which has yielded valuable insights about different phenomena in physical chemistry. Most of the IQA applications have relied upon approximations, which do not include either dynamical correlation (DC) such as Hartree-Fock (HF) or external DC like CASSCF theory. Recently, DC was included in the IQA method by means of HF/Coupled-Cluster (CC) transition densities (Chávez-Calvillo et al., Comput. Theory Chem. 2015, 1053, 90). Despite the potential utility of this approach, it has a few drawbacks, for example, it is not consistent with the calculation of CC properties different from the total electronic energy. To improve this situation, we have implemented the IQA energy partition based on CC Lagrangian one- and two-electron orbital density matrices. The development presented in this article is tested and illustrated with the H2 , LiH, H2 O, H2 S, N2 , and CO molecules for which the IQA results obtained under the consideration of (i) the CC Lagrangian, (ii) HF/CC transition densities, and (iii) HF are critically analyzed and compared. Additionally, the effect of the DC in the different components of the electronic energy in the formation of the T-shaped (H2 )2 van der Waals cluster and the bimolecular nucleophilic substitution between F(-) and CH3 F is examined. We anticipate that the approach put forward in this article will provide new understandings on subjects in physical chemistry wherein DC plays a crucial role like molecular interactions along with chemical bonding and reactivity. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Dynamics of the spatial electron density distribution of EUV-induced plasmas

Science.gov (United States)

van der Horst, R. M.; Beckers, J.; Osorio, E. A.; Banine, V. Y.

2015-11-01

We studied the temporal evolution of the electron density distribution in a low pressure pulsed plasma induced by high energy extreme ultraviolet (EUV) photons using microwave cavity resonance spectroscopy (MCRS). In principle, MCRS only provides space averaged information about the electron density. However, we demonstrate here the possibility to obtain spatial information by combining multiple resonant modes. It is shown that EUV-induced plasmas, albeit being a rather exotic plasma, can be explained by known plasma physical laws and processes. Two stages of plasma behaviour are observed: first the electron density distribution contracts, after which it expands. It is shown that the contraction is due to cooling of the electrons. The moment when the density distribution starts to expand is related to the inertia of the ions. After tens of microseconds, the electrons reached the wall of the cavity. The speed of this expansion is dependent on the gas pressure and can be divided into two regimes. It is shown that the acoustic dominated regime the expansion speed is independent of the gas pressure and that in the diffusion dominated regime the expansion depends reciprocal on the gas pressure.

Dynamics of the spatial electron density distribution of EUV-induced plasmas

International Nuclear Information System (INIS)

Van der Horst, R M; Beckers, J; Banine, V Y; Osorio, E A

2015-01-01

We studied the temporal evolution of the electron density distribution in a low pressure pulsed plasma induced by high energy extreme ultraviolet (EUV) photons using microwave cavity resonance spectroscopy (MCRS). In principle, MCRS only provides space averaged information about the electron density. However, we demonstrate here the possibility to obtain spatial information by combining multiple resonant modes. It is shown that EUV-induced plasmas, albeit being a rather exotic plasma, can be explained by known plasma physical laws and processes. Two stages of plasma behaviour are observed: first the electron density distribution contracts, after which it expands. It is shown that the contraction is due to cooling of the electrons. The moment when the density distribution starts to expand is related to the inertia of the ions. After tens of microseconds, the electrons reached the wall of the cavity. The speed of this expansion is dependent on the gas pressure and can be divided into two regimes. It is shown that the acoustic dominated regime the expansion speed is independent of the gas pressure and that in the diffusion dominated regime the expansion depends reciprocal on the gas pressure. (fast track communication)

Two-dimensional electron density characterisation of arc interruption phenomenon in current-zero phase

Science.gov (United States)

Inada, Yuki; Kamiya, Tomoki; Matsuoka, Shigeyasu; Kumada, Akiko; Ikeda, Hisatoshi; Hidaka, Kunihiko

2018-01-01

Two-dimensional electron density imaging over free burning SF6 arcs and SF6 gas-blast arcs was conducted at current zero using highly sensitive Shack-Hartmann type laser wavefront sensors in order to experimentally characterise electron density distributions for the success and failure of arc interruption in the thermal reignition phase. The experimental results under an interruption probability of 50% showed that free burning SF6 arcs with axially asymmetric electron density profiles were interrupted with a success rate of 88%. On the other hand, the current interruption of SF6 gas-blast arcs was reproducibly achieved under locally reduced electron densities and the interruption success rate was 100%.

A unit density method of grain analysis used to identify GABEergic neurons for electron microscopic autoradiographs

International Nuclear Information System (INIS)

Burry, R.W.

1982-01-01

The distribution of electron microscopic autoradiographic grains over neurons in cerebellar cultures incubated with [ 3 H]gamma-aminobutyric acid ([ 3 H]GABA) was examined. With the unit density method of grain analysis, the number of grains over each structure was tested against the total grain density for the entire section. If an individual structure has a grain density higher than the expected grain density, it is considered one of the group of heavily labeled structures. The expected grain density for each structure is calculated based on the area for that structure, the total grain density and the Poisson distribution. A different expected grain density can be calculated for any P value required. The method provides an adequate population of structures for morphological analysis but excludes weakly labeled structures and thus may underestimate the number of labeled structures. The unit density method of grain analysis showed, as expected, a group of cell bodies and synapses that was labeled heavily. Cultures incubated with other [ 3 H]amino acids did not have any heavily labeled synaptic elements. In addition, serial section analysis of sections showed that synapses heavily labeled with [ 3 H]GABA are seen in adjacent sections. The advantage of the unit density method of grain analysis is that it can be used to separate two groups of metabolically different neurons even when no morphological differences are present. (Auth.)

US-Total Electron Content Product (USTEC)

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — The US Total Electron Content (US-TEC) product is designed to specify TEC over the Continental US (CONUS) in near real-time. The product uses a Kalman Filter data...

Diagnosis of Unmagnetized Plasma Electron Number Density and Electron-neutral Collision Frequency by Using Microwave

International Nuclear Information System (INIS)

Yuan Zhongcai; Shi Jiaming; Xu Bo

2005-01-01

The plasma diagnostic method using the transmission attenuation of microwaves at double frequencies (PDMUTAMDF) indicates that the frequency and the electron-neutral collision frequency of the plasma can be deduced by utilizing the transmission attenuation of microwaves at two neighboring frequencies in a non-magnetized plasma. Then the electron density can be obtained from the plasma frequency. The PDMUTAMDF is a simple method to diagnose the plasma indirectly. In this paper, the interaction of electromagnetic waves and the plasma is analyzed. Then, based on the attenuation and the phase shift of a microwave in the plasma, the principle of the PDMUTAMDF is presented. With the diagnostic method, the spatially mean electron density and electron collision frequency of the plasma can be obtained. This method is suitable for the elementary diagnosis of the atmospheric-pressure plasma

A study of effective atomic numbers and electron densities of some vitamins for electron, H, He and C ion interactions

Science.gov (United States)

Büyükyıldız, M.

2017-09-01

The radiological properties of some vitamins such as Retinol, Beta-carotene, Riboflavin, Niacin, Niacinamide, Pantothenic acid, Pyridoxine, Pyridoxamine, Pyridoxal, Biotin, Folic acid, Ascorbic acid, Cholecalciferol, Alpha-tocopherol, Gamma-tocopherol, Phylloquinone have been investigated with respect to total electron interaction and some heavy charged particle interaction as means of effective atomic numbers (Z_{eff}) and electron densities (N_{eff}) for the first time. Calculations were performed for total electron interaction and heavy ions such as H, He and C ion interactions in the energy region 10keV-10MeV by using a logarithmic interpolation method. Variations in Z_{eff}'s and N_{eff}'s of given vitamins have been studied according to the energy of electron or heavy charged particles, and significant variations have been observed for all types of interaction in the given energy region. The maximum values of Z_{eff} have been found in the different energy regions for different interactions remarkably and variations in N_{eff} seem approximately to be the same with variation in Z_{eff} for the given vitamins as expected. Z_{eff} values of some vitamins were plotted together and compared with each other for electron, H, He and C interactions and the ratios of Z_{eff}/ have been changed in the range of 0.25-0.36, 0.20-0.36, 0.22-0.35 and 0.20-0.35 for electron, H, He and C interactions, respectively.

Electron heating caused by parametrically driven turbulence near the critical density

International Nuclear Information System (INIS)

Mizuno, K.; DeGroot, J.S.; Estabrook, K.G.

1986-01-01

Microwave-driven experiments and particle simulation calculations are presented that model s-polarized laser light incident on a pellet. In the microwave experiments, the incident microwaves are observed to decay into ion and electron waves near the critical density if the microwave power is above a well-defined threshold. Significant absorption, thermal electron heating, and hot electron generation are observed for microwave powers above a few times threshold. Strong absorption, strong profile modification, strongly heated hot electrons with a Maxwellian distribution, a hot-electron temperature that increases slowly with power, and a hot-electron density that is almost constant, are all observed in both the microwave experiments and simulation calculations for high powers. In addition, the thermal electrons are strongly heated for high powers in the microwave experiments

Some new features of electron density irregularities over SHAR during strong spread F

Directory of Open Access Journals (Sweden)

S. Raizada

Full Text Available An RH-560 rocket flight was conducted from Sriharikota rocket range (SHAR (14°N, 80°E, dip latitude 5.5°N to study electron density and electric field irregularities during spread F. The rocket was launched at 2130 local time (LT and it attained an apogee of 348 km. Results of electron density fluctuations are presented here. Two extremely sharp layers of very high electron density were observed at 105 and 130 km. The electron density increase in these layers was by a factor of 50 in a vertical extent of 10 km. Large depletions in electron density were observed around 175 and 238 km. Both sharp layers as well as depletions were observed also during the descent. The presence of sharp layers and depletions during the ascent and the descent of the rocket as well as an order of magnitude less electron density, in 150-300 km region during the descent, indicate the presence of strong large-scale horizontal gradients in the electron density. Some of the valley region irregularities (165-178 km, in the intermediate scale size range, observed during this flight, show spectral peaks at 2 km and can be interpreted in terms of the image striation theory suggested by Vickrey et al. The irregularities at 176 km do not exhibit any peak at kilometer scales and appear to be of new type. The growth rate of intermediate scale size irregularities, produced through generalized Rayleigh Taylor instability, was calculated for the 200-330 km altitude, using observed values of electron density gradients and an assumed vertically downward wind of 20 ms^-1. These growth rate calculations suggest that the observed irregularities could be produced by the gradient drift instability.

Key words: Ionosphere (equatorial ionosphere; ionospheric irregularities - Radio science (ionospheric physics

Some new features of electron density irregularities over SHAR during strong spread F

Directory of Open Access Journals (Sweden)

S. Raizada

2000-02-01

Full Text Available An RH-560 rocket flight was conducted from Sriharikota rocket range (SHAR (14°N, 80°E, dip latitude 5.5°N to study electron density and electric field irregularities during spread F. The rocket was launched at 2130 local time (LT and it attained an apogee of 348 km. Results of electron density fluctuations are presented here. Two extremely sharp layers of very high electron density were observed at 105 and 130 km. The electron density increase in these layers was by a factor of 50 in a vertical extent of 10 km. Large depletions in electron density were observed around 175 and 238 km. Both sharp layers as well as depletions were observed also during the descent. The presence of sharp layers and depletions during the ascent and the descent of the rocket as well as an order of magnitude less electron density, in 150-300 km region during the descent, indicate the presence of strong large-scale horizontal gradients in the electron density. Some of the valley region irregularities (165-178 km, in the intermediate scale size range, observed during this flight, show spectral peaks at 2 km and can be interpreted in terms of the image striation theory suggested by Vickrey et al. The irregularities at 176 km do not exhibit any peak at kilometer scales and appear to be of new type. The growth rate of intermediate scale size irregularities, produced through generalized Rayleigh Taylor instability, was calculated for the 200-330 km altitude, using observed values of electron density gradients and an assumed vertically downward wind of 20 ms-1. These growth rate calculations suggest that the observed irregularities could be produced by the gradient drift instability.Key words: Ionosphere (equatorial ionosphere; ionospheric irregularities - Radio science (ionospheric physics

Excess electron mobility in ethane. Density, temperature, and electric field effects

International Nuclear Information System (INIS)

Doeldissen, W.; Schmidt, W.F.; Bakale, G.

1980-01-01

The excess electron mobility in liquid ethane was measured under orthobaric conditions as a function of temperature and electric field strength up to the critical temperature at 305.33 K. The low field mobility was found to rise strongly with temperature and exhibits a maximum value of 44 cm 2 V -1 s -1 at 2 0 below the critical temperature. At temperatures above 260 K the electron drift velocity shows a sublinear field dependence at high values of the electric field strength. These observations lead to the supposition that in liquid ethane a transition from transport via localized states to transport in extended states occurs. Measurements were also performed in fluid ethane at densities from 2.4 to 12.45 mol L -1 and temperatures from 290 to 340 K. On isochores in the vicinity of the critical density, an increase of the low field mobility with temperature was observed. This effect was found to disappear both at low (rho = 2.4 mol L -1 ) and high densities (rho greater than or equal to 9.2 mol L -1 ). In this density range, a sublinear field dependence of the drift velocities at high field strengths was noted. The critical velocity associated with the appearance of hot electrons was observed to decrease with higher densities indicating a smaller fractional energy transfer in electron molecule collisions. A compilation of electron mobilities in gaseous and liquid ethane shows that, up to densitiesof rho = 9.5 mol L -1 , μ proportional to n -1 is fulfilled if temperature effects are ignored. At intermediate densities, 9 mol L -1 -1 , a density dependence of μ proportional to rho -5 is found followed by a stronger mobility decrease toward the triple point. Positive ion mobilities measured under orthobaric conditions followed Walden's rule

Mechanisms of the electron density depletion in the SAR arc region

Directory of Open Access Journals (Sweden)

A. V. Pavlov

Full Text Available This study compares the measurements of electron density and temperature and the integral airglow intensity at 630 nm in the SAR arc region and slightly south of this (obtained by the Isis 2 spacecraft during the 18 December 1971 magnetic storm, with the model results obtained using the time dependent one-dimensional mathematical model of the Earth's ionosphere and plasmasphere. The explicit expression in the third Enskog approximation for the electron thermal conductivity coefficient in the multicomponent mixture of ionized gases and a simplified calculation method for this coefficient presents an opportunity to calculate more exactly the electron temperature and density and 630 nm emission within SAR arc region are used in the model. Collisions between N₂ and hot thermal electrons in the SAR arc region produce vibrationally excited nitrogen molecules. It appears that the loss rate of O⁺(⁴S due to reactions with the vibrationally excited nitrogen is enough to explain electron density depression by a factor of two at F-region heights and the topside ionosphere density variations within the SAR arc if the erosion of plasma within geomagnetic field tubes, during the main phase of the geomagnetic storm and subsequent filling of geomagnetic tubes during the recovery phase, are considered. To explain the disagreement by a factor 1.5 between the observed and modeled SAR arc electron densities an additional plasma drift velocity ~–30 m s^–1 in the ion continuity equations is needed during the recovery phase. This additional plasma drift velocity is likely caused by the transition from convecting to corotating flux tubes on the equatorward wall of the trough. The electron densities and temperatures and 630 nm integral intensity at the SAR arc and slightly south of this region as measured for the 18 December 1971 magnetic storm were correctly described by the model without perpendicular electric fields

Calculation of flux density distribution on irradiation field of electron accelerator

International Nuclear Information System (INIS)

Tanaka, Ryuichi

1977-03-01

The simple equation of flux density distribution in the irradiation field of an ordinary electron accelerator is a function of the physical parameters concerning electron irradiation. Calculation is based on the mean square scattering angle derived from a simple multiple scattering theory, with the correction factors of air scattering, beam scanning and number transmission coefficient. The flux density distribution was measured by charge absorption in a graphite target set in the air. For the calculated mean square scattering angles of 0.089-0.29, the values of calculation agree with those by experiment within about 10% except at large scattering angles. The method is applicable to dose evaluation of ordinary electron accelerators and design of various irradiators for radiation chemical reaction. Applicability of the simple multiple scattering theory in calculation of the scattered flux density and periodical variation of the flux density of scanning beam are also described. (auth.)

Using Fe XXII to Determine the Electron Density of Stellar Coronae

Science.gov (United States)

Lepson, Jaan; Beiersdorfer, P.; Brown, G. V.; Clementson, J.; Gu, M. F.

2010-03-01

Lines from Fe XXII, both in the EUV and X-ray region, are known to be sensitive to the electron density and have in recent years been used as diagnostics of stellar coronae, such as AB Dor and Ex Hya. We have recently obtained spectral data from laboratory sources in which the electron density is known either from non-spectroscopic means or from K-shell density diagnostics. The densities of the laboratory sources range from 5x1011 cm-3 to 5x1014 cm-3. The measurements have been used to test the spectral models underlying the Fe XXII density diagnostic line ratios. This work was supported by the NASA APRA program and the DOE General Plasma Science program.

Total-energy Assisted Tight-binding Method Based on Local Density Approximation of Density Functional Theory

Science.gov (United States)

Fujiwara, Takeo; Nishino, Shinya; Yamamoto, Susumu; Suzuki, Takashi; Ikeda, Minoru; Ohtani, Yasuaki

2018-06-01

A novel tight-binding method is developed, based on the extended Hückel approximation and charge self-consistency, with referring the band structure and the total energy of the local density approximation of the density functional theory. The parameters are so adjusted by computer that the result reproduces the band structure and the total energy, and the algorithm for determining parameters is established. The set of determined parameters is applicable to a variety of crystalline compounds and change of lattice constants, and, in other words, it is transferable. Examples are demonstrated for Si crystals of several crystalline structures varying lattice constants. Since the set of parameters is transferable, the present tight-binding method may be applicable also to molecular dynamics simulations of large-scale systems and long-time dynamical processes.

C library for topological study of the electronic charge density.

Science.gov (United States)

Vega, David; Aray, Yosslen; Rodríguez, Jesús

2012-12-05

The topological study of the electronic charge density is useful to obtain information about the kinds of bonds (ionic or covalent) and the atom charges on a molecule or crystal. For this study, it is necessary to calculate, at every space point, the electronic density and its electronic density derivatives values up to second order. In this work, a grid-based method for these calculations is described. The library, implemented for three dimensions, is based on a multidimensional Lagrange interpolation in a regular grid; by differentiating the resulting polynomial, the gradient vector, the Hessian matrix and the Laplacian formulas were obtained for every space point. More complex functions such as the Newton-Raphson method (to find the critical points, where the gradient is null) and the Cash-Karp Runge-Kutta method (used to make the gradient paths) were programmed. As in some crystals, the unit cell has angles different from 90°, the described library includes linear transformations to correct the gradient and Hessian when the grid is distorted (inclined). Functions were also developed to handle grid containing files (grd from DMol® program, CUBE from Gaussian® program and CHGCAR from VASP® program). Each one of these files contains the data for a molecular or crystal electronic property (such as charge density, spin density, electrostatic potential, and others) in a three-dimensional (3D) grid. The library can be adapted to make the topological study in any regular 3D grid by modifying the code of these functions. Copyright © 2012 Wiley Periodicals, Inc.

Triglycerides, total cholesterol, high density lipoprotein cholesterol and low density lipoprotein cholesterol in rats exposed to premium motor spirit fumes.

Science.gov (United States)

Aberare, Ogbevire L; Okuonghae, Patrick; Mukoro, Nathaniel; Dirisu, John O; Osazuwa, Favour; Odigie, Elvis; Omoregie, Richard

2011-06-01

Deliberate and regular exposure to premium motor spirit fumes is common and could be a risk factor for liver disease in those who are occupationally exposed. A possible association between premium motor spirit fumes and plasma levels of triglyceride, total cholesterol, high density lipoprotein cholesterol and low density lipoprotein cholesterol using a rodent model could provide new insights in the pathology of diseases where cellular dysfunction is an established risk factor. The aim of this study was to evaluate the possible effect of premium motor spirit fumes on lipids and lipoproteins in workers occupationally exposed to premium motor spirit fumes using rodent model. Twenty-five Wister albino rats (of both sexes) were used for this study between the 4(th) of August and 7(th) of September, 2010. The rats were divided into five groups of five rats each. Group 1 rats were not exposed to premium motor spirit fumes (control group), group 2 rats were exposed for 1 hour daily, group 3 for 3 hours daily, group 4 for 5 hours daily and group 5 for 7 hours daily. The experiment lasted for a period of 4 weeks. Blood samples obtained from all the groups after 4 weeks of exposure were used for the estimation of plasma levels of triglyceride, total cholesterol, high density lipoprotein- cholesterol and low density lipoprotein- cholesterol. Results showed significant increase in means of plasma total cholesterol and low density lipoprotein levels (P<0.05). The mean triglyceride and total body weight were significantly lower (P<0.05) in the exposed group when compared with the unexposed. The plasma level of high density lipoprotein, the ratio of low density lipoprotein to high density lipoprotein and the ratio of total cholesterol to high density lipoprotein did not differ significantly in exposed subjects when compared with the control group. These results showed that frequent exposure to petrol fumes may be highly deleterious to the liver cells.

Electron density in the emission-line region of Wolf-Rayet stars

International Nuclear Information System (INIS)

Varshni, Y.P.

1978-01-01

The Inglis-Teller relation, generalized for a hydrogen-like or alkali-like ion with an arbitrary core charge, is used to estimate the electron density in the emission-like region of Wolf-Rayet stars. It is found that the electron density in the region which gives rise to He II emission lines is approximately = 4 x 10 14 cm -3 . (Auth.)

Electron density in non-ideal metal complexes. Pt. 1

International Nuclear Information System (INIS)

Varghese, J.N.; Maslen, E.N.

1985-01-01

The structure of copper sulphate pentahydrate was refined using an accurate set of X-ray data: Msub(r)=249.68, triclinic, Panti 1, a=6.1224(4), b=10.7223(4), c=5.9681(4) A, α=82.35(2), β=107.33(2), γ=102.60(4) 0 , V=364.02(3) A 3 , Z=2, Dsub(x)=2.278 Mg m -3 , Mo Kα, lambda=0.71069 A, μ=3.419 mm -1 , F(000)=254.0, T=298 K, R=0.039 for 7667 reflections. The structural parameters are compared with those obtained by neutron diffraction. The differences between X-ray and neutron positions are related to the hydrogen bonding in the structure. The dominant features in the residual density near the two crystallographically independent Cu atoms result from the redistribution of 3d electrons due to bonding. The density is anisotropic, as expected in view of the Jahn-Teller distortion in the structure. Marked differences in the d-electron distributions for the two Cu atoms correlate with small variations in molecular geometry. Second-nearest-neighbour effects, such as those arising from differently oriented ligating waters, are significant in this structure. Sharp features in the difference density close to the Cu nuclei are similar to those in other Cu 2+ complexes, indicating that the electron density in this region is more reliable than previously believed. (orig.)

CO2 laser interferometer for temporally and spatially resolved electron density measurements

Science.gov (United States)

Brannon, P. J.; Gerber, R. A.; Gerardo, J. B.

1982-09-01

A 10.6-μm Mach-Zehnder interferometer has been constructed to make temporally and spatially resolved measurements of electron densities in plasmas. The device uses a pyroelectric vidicon camera and video memory to record and display the two-dimensional fringe pattern and a Pockels cell to limit the pulse width of the 10.6-μm radiation. A temporal resolution of 14 ns has been demonstrated. The relative sensitivity of the device for electron density measurements is 2×1015 cm-2 (the line integral of the line-of-sight length and electron density), which corresponds to 0.1 fringe shift.

CO2 laser interferometer for temporally and spatially resolved electron density measurements

International Nuclear Information System (INIS)

Brannon, P.J.; Gerber, R.A.; Gerardo, J.B.

1982-01-01

A 10.6-μm Mach--Zehnder interferometer has been constructed to make temporally and spatially resolved measurements of electron densities in plasmas. The device uses a pyroelectric vidicon camera and video memory to record and display the two-dimensional fringe pattern and a Pockels cell to limit the pulse width of the 10.6-μm radiation. A temporal resolution of 14 ns has been demonstrated. The relative sensitivity of the device for electron density measurements is 2 x 10 15 cm -2 (the line integral of the line-of-sight length and electron density), which corresponds to 0.1 fringe shift

X-ray electron charge density distribution in silicon

International Nuclear Information System (INIS)

Pietsch, U.

1986-01-01

During the last two years new highly accurate X-ray structure amplitudes for silicon have been published. Also the scattering phases of some 'forbidden' reflections have been determined using the X-ray three-beam case. This allows the construction of most precise valence and difference electron density plots and the comparison with those calculated on the basis of the Aldret-Hart X-ray pendelloesung data or theoretically. The density plots are discussed in details of both, the bond and the atomic site. The contributions of various Fourier components and the influence of different temperature factors on the difference density are studied. (author)

Apparatus and method for generating high density pulses of electrons

International Nuclear Information System (INIS)

Lee, C.; Oettinger, P.E.

1981-01-01

An apparatus and method are described for the production of high density pulses of electrons using a laser energized emitter. Caesium atoms from a low pressure vapour atmosphere are absorbed on and migrate from a metallic target rapidly heated by a laser to a high temperature. Due to this heating time being short compared with the residence time of the caesium atoms adsorbed on the target surface, copious electrons are emitted which form a high current density pulse. (U.K.)

Intense electron-beam propagation in low-density gases using PHERMEX

International Nuclear Information System (INIS)

Moir, D.C.; Newberger, B.S.; Thode, L.E.

1980-01-01

Preliminary propagation experiments have been performed using the LASL-PHERMEX 21-MeV electron beam with current densities of 40 kA/cm 2 . Gas densities are varied from 10-m torr to 580 torr. Results indicate the presence of microinstabilities

Electron momentum density and Compton profile by a semi-empirical approach

Science.gov (United States)

Aguiar, Julio C.; Mitnik, Darío; Di Rocco, Héctor O.

2015-08-01

Here we propose a semi-empirical approach to describe with good accuracy the electron momentum densities and Compton profiles for a wide range of pure crystalline metals. In the present approach, we use an experimental Compton profile to fit an analytical expression for the momentum densities of the valence electrons. This expression is similar to a Fermi-Dirac distribution function with two parameters, one of which coincides with the ground state kinetic energy of the free-electron gas and the other resembles the electron-electron interaction energy. In the proposed scheme conduction electrons are neither completely free nor completely bound to the atomic nucleus. This procedure allows us to include correlation effects. We tested the approach for all metals with Z=3-50 and showed the results for three representative elements: Li, Be and Al from high-resolution experiments.

A new interferometry-based electron density fluctuation diagnostic on Alcator C-Moda)

Science.gov (United States)

Kasten, C. P.; Irby, J. H.; Murray, R.; White, A. E.; Pace, D. C.

2012-10-01

The two-color interferometry diagnostic on the Alcator C-Mod tokamak has been upgraded to measure fluctuations in the electron density and density gradient for turbulence and transport studies. Diagnostic features and capabilities are described. In differential mode, fast phase demodulation electronics detect the relative phase change between ten adjacent, radially-separated (ΔR = 1.2 cm, adjustable), vertical-viewing chords, which allows for measurement of the line-integrated electron density gradient. The system can be configured to detect the absolute phase shift of each chord by comparison to a local oscillator, measuring the line-integrated density. Each chord is sensitive to density fluctuations with kR < 20.3 cm-1 and is digitized at up to 10 MS/s, resolving aspects of ion temperature gradient-driven modes and other long-wavelength turbulence. Data from C-Mod discharges is presented, including observations of the quasi-coherent mode in enhanced D-alpha H-mode plasmas and the weakly coherent mode in I-mode.

Tracing the Fingerprint of Chemical Bonds within the Electron Densities of Hydrocarbons: A Comparative Analysis of the Optimized and the Promolecule Densities.

Science.gov (United States)

Keyvani, Zahra Alimohammadi; Shahbazian, Shant; Zahedi, Mansour

2016-10-18

The equivalence of the molecular graphs emerging from the comparative analysis of the optimized and the promolecule electron densities in two hundred and twenty five unsubstituted hydrocarbons was recently demonstrated [Keyvani et al. Chem. Eur. J. 2016, 22, 5003]. Thus, the molecular graph of an optimized molecular electron density is not shaped by the formation of the C-H and C-C bonds. In the present study, to trace the fingerprint of the C-H and C-C bonds in the electron densities of the same set of hydrocarbons, the amount of electron density and its Laplacian at the (3, -1) critical points associated with these bonds are derived from both optimized and promolecule densities, and compared in a newly proposed comparative analysis. The analysis not only conforms to the qualitative picture of the electron density build up between two atoms upon formation of a bond in between, but also quantifies the resulting accumulation of the electron density at the (3, -1) critical points. The comparative analysis also reveals a unified mode of density accumulation in the case of 2318 studied C-H bonds, but various modes of density accumulation are observed in the case of 1509 studied C-C bonds and they are classified into four groups. The four emerging groups do not always conform to the traditional classification based on the bond orders. Furthermore, four C-C bonds described as exotic bonds in previous studies, for example the inverted C-C bond in 1,1,1-propellane, are naturally distinguished from the analysis. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Topside ionospheric vertical electron density profile reconstruction using GPS and ionosonde data: possibilities for South Africa

Directory of Open Access Journals (Sweden)

P. Sibanda

2011-02-01

Full Text Available Successful empirical modeling of the topside ionosphere relies on the availability of good quality measured data. The Alouette, ISIS and Intercosmos-19 satellite missions provided large amounts of topside sounder data, but with limited coverage of relevant geophysical conditions (e.g., geographic location, diurnal, seasonal and solar activity by each individual mission. Recently, methods for inferring the electron density distribution in the topside ionosphere from Global Positioning System (GPS-based total electron content (TEC measurements have been developed. This study is focused on the modeling efforts in South Africa and presents the implementation of a technique for reconstructing the topside ionospheric electron density (Ne using a combination of GPS-TEC and ionosonde measurements and empirically obtained Upper Transition Height (UTH. The technique produces reasonable profiles as determined by the global models already in operation. With the added advantage that the constructed profiles are tied to reliable measured GPS-TEC and the empirically determined upper transition height, the technique offers a higher level of confidence in the resulting Ne profiles.

Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies.

Science.gov (United States)

Yang, Yang; Culpitt, Tanner; Hammes-Schiffer, Sharon

2018-04-05

The quantum mechanical treatment of both electrons and protons in the calculation of excited state properties is critical for describing nonadiabatic processes such as photoinduced proton-coupled electron transfer. Multicomponent density functional theory enables the consistent quantum mechanical treatment of more than one type of particle and has been implemented previously for studying ground state molecular properties within the nuclear-electronic orbital (NEO) framework, where all electrons and specified protons are treated quantum mechanically. To enable the study of excited state molecular properties, herein the linear response multicomponent time-dependent density functional theory (TDDFT) is derived and implemented within the NEO framework. Initial applications to FHF - and HCN illustrate that NEO-TDDFT provides accurate proton and electron excitation energies within a single calculation. As its computational cost is similar to that of conventional electronic TDDFT, the NEO-TDDFT approach is promising for diverse applications, particularly nonadiabatic proton transfer reactions, which may exhibit mixed electron-proton vibronic excitations.

Ultra-stretchable Interconnects for high-density stretchable electronics

NARCIS (Netherlands)

Shafqat, S.; Hoefnagels, J.P.M.; Savov, A.; Joshi, S.; Dekker, R.; Geers, M.G.D.

2017-01-01

The exciting field of stretchable electronics (SE) promises numerous novel applications, particularly in-body and medical diagnostics devices. However, future advanced SE miniature devices will require high-density, extremely stretchable interconnects with micron-scale footprints, which calls for

Rapid model building of beta-sheets in electron-density maps.

Science.gov (United States)

Terwilliger, Thomas C

2010-03-01

A method for rapidly building beta-sheets into electron-density maps is presented. beta-Strands are identified as tubes of high density adjacent to and nearly parallel to other tubes of density. The alignment and direction of each strand are identified from the pattern of high density corresponding to carbonyl and C(beta) atoms along the strand averaged over all repeats present in the strand. The beta-strands obtained are then assembled into a single atomic model of the beta-sheet regions. The method was tested on a set of 42 experimental electron-density maps at resolutions ranging from 1.5 to 3.8 A. The beta-sheet regions were nearly completely built in all but two cases, the exceptions being one structure at 2.5 A resolution in which a third of the residues in beta-sheets were built and a structure at 3.8 A in which under 10% were built. The overall average r.m.s.d. of main-chain atoms in the residues built using this method compared with refined models of the structures was 1.5 A.

Electron cloud density measurements in accelerator beam-pipe using resonant microwave excitation

Energy Technology Data Exchange (ETDEWEB)

Sikora, John P., E-mail: jps13@cornell.edu [CLASSE, Cornell University, Ithaca, NY 14853 (United States); Carlson, Benjamin T. [Carnegie Mellon University, Pittsburgh, PA 15213 (United States); Duggins, Danielle O. [Gordon College, Wenham, MA 01984 (United States); Hammond, Kenneth C. [Columbia University, New York, NY 10027 (United States); De Santis, Stefano [LBNL, Berkeley, CA 94720 (United States); Tencate, Alister J. [Idaho State University, Pocatello, ID 83209 (United States)

2014-08-01

An accelerator beam can generate low energy electrons in the beam-pipe, generally called electron cloud, that can produce instabilities in a positively charged beam. One method of measuring the electron cloud density is by coupling microwaves into and out of the beam-pipe and observing the response of the microwaves to the presence of the electron cloud. In the original technique, microwaves are transmitted through a section of beam-pipe and a change in EC density produces a change in the phase of the transmitted signal. This paper describes a variation on this technique in which the beam-pipe is resonantly excited with microwaves and the electron cloud density calculated from the change that it produces in the resonant frequency of the beam-pipe. The resonant technique has the advantage that measurements can be localized to sections of beam-pipe that are a meter or less in length with a greatly improved signal to noise ratio.

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

Science.gov (United States)

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

1986-01-01

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

Self-Attractive Hartree Decomposition: Partitioning Electron Density into Smooth Localized Fragments.

Science.gov (United States)

Zhu, Tianyu; de Silva, Piotr; Van Voorhis, Troy

2018-01-09

Chemical bonding plays a central role in the description and understanding of chemistry. Many methods have been proposed to extract information about bonding from quantum chemical calculations, the majority of them resorting to molecular orbitals as basic descriptors. Here, we present a method called self-attractive Hartree (SAH) decomposition to unravel pairs of electrons directly from the electron density, which unlike molecular orbitals is a well-defined observable that can be accessed experimentally. The key idea is to partition the density into a sum of one-electron fragments that simultaneously maximize the self-repulsion and maintain regular shapes. This leads to a set of rather unusual equations in which every electron experiences self-attractive Hartree potential in addition to an external potential common for all the electrons. The resulting symmetry breaking and localization are surprisingly consistent with chemical intuition. SAH decomposition is also shown to be effective in visualization of single/multiple bonds, lone pairs, and unusual bonds due to the smooth nature of fragment densities. Furthermore, we demonstrate that it can be used to identify specific chemical bonds in molecular complexes and provides a simple and accurate electrostatic model of hydrogen bonding.

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

Science.gov (United States)

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

2017-06-14

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

Localized electron density enhancements in the high-altitude polar ionosphere and their relationships with storm-enhanced density (SED plumes and polar tongues of ionization (TOI

Directory of Open Access Journals (Sweden)

Y. Kitanoya

2011-02-01

Full Text Available Events of localized electron density increase in the high-altitude (>3000 km polar ionosphere are occasionally identified by the thermal plasma instruments on the Akebono satellite. In this paper, we investigate the vertical density structure in one of such events in detail using simultaneous observations by the Akebono and DMSP F15 satellites, the SuperDARN radars, and a network of ground Global Positioning System (GPS receivers, and the statistical characteristics of a large number (>10 000 of such events using Akebono data over half of an 11-year solar cycle. At Akebono altitude, the parallel drift velocity is remarkably low and the O+ ion composition ratio remarkably high, inside the high plasma-density regions at high altitude. Detailed comparisons between Akebono, DMSP ion velocity and density, and GPS total electron content (TEC data suggest that the localized plasma density increase observed at high altitude on Akebono was likely connected with the polar tongue of ionization (TOI and/or storm enhanced density (SED plume observed in the F-region ionosphere. Together with the SuperDARN plasma convection map these data suggest that the TOI/SED plume penetrated into the polar cap due to anti-sunward convection and the plume existed in the same convection channel as the dense plasma at high altitude; in other words, the two were probably connected to each other by the convecting magnetic field lines. The observed features are consistent with the observed high-density plasma being transported from the mid-latitude ionosphere or plasmasphere and unlikely a part of the polar wind population.

Patching the Exchange-Correlation Potential in Density Functional Theory.

Science.gov (United States)

Huang, Chen

2016-05-10

A method for directly patching exchange-correlation (XC) potentials in materials is derived. The electron density of a system is partitioned into subsystem densities by dividing its Kohn-Sham (KS) potential among the subsystems. Inside each subsystem, its projected KS potential is required to become the total system's KS potential. This requirement, together with the nearsightedness principle of electronic matters, ensures that the electronic structures inside subsystems can be good approximations to the total system's electronic structure. The nearsightedness principle also ensures that subsystem densities could be well localized in their regions, making it possible to use high-level methods to invert the XC potentials for subsystem densities. Two XC patching methods are developed. In the local XC patching method, the total system's XC potential is improved in the cluster region. We show that the coupling between a cluster and its environment is important for achieving a fast convergence of the electronic structure in the cluster region. In the global XC patching method, we discuss how to patch the subsystem XC potentials to construct the XC potential in the total system, aiming to scale up high-level quantum mechanics simulations of materials. Proof-of-principle examples are given.

Effects of density imbalance on the BCS-BEC crossover in semiconductor electron-hole bilayers

International Nuclear Information System (INIS)

Pieri, P.; Strinati, G. C.; Neilson, D.

2007-01-01

We study the occurrence of excitonic superfluidity in electron-hole bilayers at zero temperature. We not only identify the crossover in the phase diagram from the BCS limit of overlapping pairs to the BEC limit of nonoverlapping tightly bound pairs but also, by varying the electron and hole densities independently, we can analyze a number of phases that occur mainly in the crossover region. With different electron and hole effective masses, the phase diagram is asymmetric with respect to excess electron or hole densities. We propose, as the criterion for the onset of superfluidity, the jump of the electron and hole chemical potentials when their densities cross

Role of Density Gradient Driven Trapped Electron Modes in the H-Mode Inner Core with Electron Heating

Science.gov (United States)

Ernst, D.

2015-11-01

We present new experiments and nonlinear gyrokinetic simulations showing that density gradient driven TEM (DGTEM) turbulence dominates the inner core of H-Mode plasmas during strong electron heating. Thus α-heating may degrade inner core confinement in H-Mode plasmas with moderate density peaking. These DIII-D low torque quiescent H-mode experiments were designed to study DGTEM turbulence. Gyrokinetic simulations using GYRO (and GENE) closely match not only particle, energy, and momentum fluxes, but also density fluctuation spectra, with and without ECH. Adding 3.4 MW ECH doubles Te /Ti from 0.5 to 1.0, which halves the linear TEM critical density gradient, locally flattening the density profile. Density fluctuations from Doppler backscattering (DBS) intensify near ρ = 0.3 during ECH, displaying a band of coherent fluctuations with adjacent toroidal mode numbers. GYRO closely reproduces the DBS spectrum and its change in shape and intensity with ECH, identifying these as coherent TEMs. Prior to ECH, parallel flow shear lowers the effective nonlinear DGTEM critical density gradient 50%, but is negligible during ECH, when transport displays extreme stiffness in the density gradient. GS2 predictions show the DGTEM can be suppressed, to avoid degradation with electron heating, by broadening the current density profile to attain q0 >qmin > 1 . A related experiment in the same regime varied the electron temperature gradient in the outer half-radius (ρ ~ 0 . 65) using ECH, revealing spatially coherent 2D mode structures in the Te fluctuations measured by ECE imaging. Fourier analysis with modulated ECH finds a threshold in Te profile stiffness. Supported by the US DOE under DE-FC02-08ER54966 and DE-FC02-04ER54698.

Compression of a mixed antiproton and electron non-neutral plasma to high densities

Science.gov (United States)

Aghion, Stefano; Amsler, Claude; Bonomi, Germano; Brusa, Roberto S.; Caccia, Massimo; Caravita, Ruggero; Castelli, Fabrizio; Cerchiari, Giovanni; Comparat, Daniel; Consolati, Giovanni; Demetrio, Andrea; Di Noto, Lea; Doser, Michael; Evans, Craig; Fanì, Mattia; Ferragut, Rafael; Fesel, Julian; Fontana, Andrea; Gerber, Sebastian; Giammarchi, Marco; Gligorova, Angela; Guatieri, Francesco; Haider, Stefan; Hinterberger, Alexander; Holmestad, Helga; Kellerbauer, Alban; Khalidova, Olga; Krasnický, Daniel; Lagomarsino, Vittorio; Lansonneur, Pierre; Lebrun, Patrice; Malbrunot, Chloé; Mariazzi, Sebastiano; Marton, Johann; Matveev, Victor; Mazzotta, Zeudi; Müller, Simon R.; Nebbia, Giancarlo; Nedelec, Patrick; Oberthaler, Markus; Pacifico, Nicola; Pagano, Davide; Penasa, Luca; Petracek, Vojtech; Prelz, Francesco; Prevedelli, Marco; Rienaecker, Benjamin; Robert, Jacques; Røhne, Ole M.; Rotondi, Alberto; Sandaker, Heidi; Santoro, Romualdo; Smestad, Lillian; Sorrentino, Fiodor; Testera, Gemma; Tietje, Ingmari C.; Widmann, Eberhard; Yzombard, Pauline; Zimmer, Christian; Zmeskal, Johann; Zurlo, Nicola; Antonello, Massimiliano

2018-04-01

We describe a multi-step "rotating wall" compression of a mixed cold antiproton-electron non-neutral plasma in a 4.46 T Penning-Malmberg trap developed in the context of the AEḡIS experiment at CERN. Such traps are routinely used for the preparation of cold antiprotons suitable for antihydrogen production. A tenfold antiproton radius compression has been achieved, with a minimum antiproton radius of only 0.17 mm. We describe the experimental conditions necessary to perform such a compression: minimizing the tails of the electron density distribution is paramount to ensure that the antiproton density distribution follows that of the electrons. Such electron density tails are remnants of rotating wall compression and in many cases can remain unnoticed. We observe that the compression dynamics for a pure electron plasma behaves the same way as that of a mixed antiproton and electron plasma. Thanks to this optimized compression method and the high single shot antiproton catching efficiency, we observe for the first time cold and dense non-neutral antiproton plasmas with particle densities n ≥ 1013 m-3, which pave the way for an efficient pulsed antihydrogen production in AEḡIS.

Estimating Soil Bulk Density and Total Nitrogen from Catchment ...

African Journals Online (AJOL)

Even though data on soil bulk density (BD) and total nitrogen (TN) are essential for planning modern farming techniques, their data availability is limited for many applications in the developing word. This study is designed to estimate BD and TN from soil properties, land-use systems, soil types and landforms in the ...

Interplanetary Type III Bursts and Electron Density Fluctuations in the Solar Wind

Science.gov (United States)

Krupar, V.; Maksimovic, M.; Kontar, E. P.; Zaslavsky, A.; Santolik, O.; Soucek, J.; Kruparova, O.; Eastwood, J. P.; Szabo, A.

2018-04-01

Type III bursts are generated by fast electron beams originated from magnetic reconnection sites of solar flares. As propagation of radio waves in the interplanetary medium is strongly affected by random electron density fluctuations, type III bursts provide us with a unique diagnostic tool for solar wind remote plasma measurements. Here, we performed a statistical survey of 152 simple and isolated type III bursts observed by the twin-spacecraft Solar TErrestrial RElations Observatory mission. We investigated their time–frequency profiles in order to retrieve decay times as a function of frequency. Next, we performed Monte Carlo simulations to study the role of scattering due to random electron density fluctuations on time–frequency profiles of radio emissions generated in the interplanetary medium. For simplification, we assumed the presence of isotropic electron density fluctuations described by a power law with the Kolmogorov spectral index. Decay times obtained from observations and simulations were compared. We found that the characteristic exponential decay profile of type III bursts can be explained by the scattering of the fundamental component between the source and the observer despite restrictive assumptions included in the Monte Carlo simulation algorithm. Our results suggest that relative electron density fluctuations /{n}{{e}} in the solar wind are 0.06–0.07 over wide range of heliospheric distances.

Total cross section of furfural by electron impact: Experiment and theory

Science.gov (United States)

Traoré Dubuis, A.; Verkhovtsev, A.; Ellis-Gibbings, L.; Krupa, K.; Blanco, F.; Jones, D. B.; Brunger, M. J.; García, G.

2017-08-01

We present experimental total cross sections for electron scattering from furfural in the energy range from 10 to 1000 eV, as measured using a double electrostatic analyzer gas cell electron transmission experiment. These results are compared to theoretical data for furfural, as well as to experimental and theoretical values for the structurally similar molecules furan and tetrahydrofuran. The measured total cross section is in agreement with the theoretical results obtained by means of the independent-atom model with screening corrected additivity rule including interference method. In the region of higher electron energies, from 500 eV to 10 keV, the total electron scattering cross section is also estimated using a semi-empirical model based on the number of electrons and dipole polarizabilities of the molecular targets. Together with the recently measured differential and integral cross sections, and the furfural energy-loss spectra, the present total cross section data nearly complete the data set that is required for numerical simulation of low-energy electron processes in furfural, covering the range of projectile energies from a few electron volts up to 10 keV.

Total cross section of furfural by electron impact: Experiment and theory.

Science.gov (United States)

Traoré Dubuis, A; Verkhovtsev, A; Ellis-Gibbings, L; Krupa, K; Blanco, F; Jones, D B; Brunger, M J; García, G

2017-08-07

We present experimental total cross sections for electron scattering from furfural in the energy range from 10 to 1000 eV, as measured using a double electrostatic analyzer gas cell electron transmission experiment. These results are compared to theoretical data for furfural, as well as to experimental and theoretical values for the structurally similar molecules furan and tetrahydrofuran. The measured total cross section is in agreement with the theoretical results obtained by means of the independent-atom model with screening corrected additivity rule including interference method. In the region of higher electron energies, from 500 eV to 10 keV, the total electron scattering cross section is also estimated using a semi-empirical model based on the number of electrons and dipole polarizabilities of the molecular targets. Together with the recently measured differential and integral cross sections, and the furfural energy-loss spectra, the present total cross section data nearly complete the data set that is required for numerical simulation of low-energy electron processes in furfural, covering the range of projectile energies from a few electron volts up to 10 keV.

Density response to central electron heating: theoretical investigations and experimental observations in ASDEX Upgrade

Science.gov (United States)

Angioni, C.; Peeters, A. G.; Garbet, X.; Manini, A.; Ryter, F.; ASDEX Upgrade Team

2004-08-01

Theory of ion temperature gradient (ITG) and trapped electron modes (TEMs) is applied to the study of particle transport in experimental conditions with central electron heating. It is shown that in the unstable domain of TEMs, the electron thermodiffusive flux is directed outwards. By means of such a flux, a mechanism is identified likely to account for density flattening with central electron heating. Theoretical predictions are compared with experimental observations in ASDEX Upgrade. A parameter domain (including L- and H-mode plasmas) is identified, in which flattening with central electron heating is observed in the experiments. In general, this domain turns out to be the same domain in which the dominant plasma instability is a TEM. On the contrary, the dominant instability is an ITG in plasmas whose density profile is not affected significantly by central electron heating. The flattening predicted by quasi-linear theory for low density L-mode plasmas is too small compared to the experimental observations. At very high density, even when the dominant instability is an ITG, electron heating can provide density flattening, via the coupling with the ion heat channel. In these conditions the anomalous diffusivity increases in response to the increased ion heat flux, while the large collisionality makes the anomalous pinch small and the Ware pinch important.

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

Science.gov (United States)

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

2017-03-01

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

Electronic-structure calculations of praseodymium metal by means of modified density-functional theory

International Nuclear Information System (INIS)

Svane, A.; Trygg, J.; Johansson, B.; Eriksson, O.

1997-01-01

Electronic-structure calculations of elemental praseodymium are presented. Several approximations are used to describe the Pr f electrons. It is found that the low-pressure, trivalent phase is well described using either the self-interaction corrected (SIC) local-spin-density (LSD) approximation or the generalized-gradient approximation (GGA) with spin and orbital polarization (OP). In the SIC-LSD approach the Pr f electrons are treated explicitly as localized with a localization energy given by the self-interaction of the f orbital. In the GGA+OP scheme the f-electron localization is described by the onset of spin and orbital polarization, the energetics of which is described by spin-moment formation energy and a term proportional to the total orbital moment, L z 2 . The high-pressure phase is well described with the f electrons treated as band electrons, in either the LSD or the GGA approximations, of which the latter describes more accurately the experimental equation of state. The calculated pressure of the transition from localized to delocalized behavior is 280 kbar in the SIC-LSD approximation and 156 kbar in the GGA+OP approach, both comparing favorably with the experimentally observed transition pressure of 210 kbar. copyright 1997 The American Physical Society

Acceleration of high charge density electron beams in the SLAC linac

International Nuclear Information System (INIS)

Sheppard, J.C.; Clendenin, J.E.; Jobe, R.K.; Lueth, V.G.; Millich, A.; Ross, M.C.; Seeman, J.T.; Stiening, R.F.

1984-01-01

The SLAC Linear Collider (SLC) will require both electron and positron beams of very high charge density and low emittance to be accelerated to about 50 GeV in the SLAC 3-km linac. The linac is in the process of being improved to meet this requirement. The program to accelerate an electron beam of high charge density through the first third of the SLC linac is described and the experimental results are discussed. 7 references, 5 figures

Experimental electron density profiles of the mid-latitude lower ionosphere and winter anomaly

International Nuclear Information System (INIS)

Rapoport, Z.Ts.; Sinel'nikov, V.M.

1996-01-01

Summarized measurements of high-latitude electron density profiles of N e lower ionosphere, obtained at M100B meteorological rockets by precision method of coherent frequencies during 1979-1990 at the Volgograd test site (φ = 48 deg 41' N; λ = 44 deg 21 E), are presented. The profiles obtained represent average values of electron density at various altitudes of lower ionosphere (h = 70-100 km) during night and day time hours in winter and non winter periods. Increased electron density values during daytime hours in winter are related to winter anomaly phenomenon. 36 refs.; 1 fig

Force-balance and differential equation for the ground-state electron density in atoms and molecules

International Nuclear Information System (INIS)

Amovilli, C.; March, N.H.; Gal, T.; Nagy, A.

2000-01-01

Holas and March (1995) established a force-balance equation from the many-electron Schroedinger equation. Here, the authors propose this as a basis for the construction of a (usually approximate) differential equation for the ground-state electron density. By way of example they present the simple case of two-electron systems with different external potentials but with weak electron-electron Coulomb repulsion λe 2 /r 12 . In this case first-order Rayleigh-Schroedinger (RS) perturbation theory of the ground-state wave function is known to lead to a compact expression for the first-order density matrix γ(r,rprime) in terms of its diagonal density ρ(r) and the density corresponding to λ = 0. This result allows the force-balance equation to be written as a third-order linear, differential homogeneous equation for the ground-state electron density ρ(r). The example of the two-electron Hookean atom is treated: For this case one can also transcend the first-order RS perturbation theory and get exact results for discrete choices of force constants (external potential)

Two-Dimensional Electron Density Measurement of Positive Streamer Discharge in Atmospheric-Pressure Air

Science.gov (United States)

Inada, Yuki; Ono, Ryo; Kumada, Akiko; Hidaka, Kunihiko; Maeyama, Mitsuaki

2016-09-01

The electron density of streamer discharges propagating in atmospheric-pressure air is crucially important for systematic understanding of the production mechanisms of reactive species utilized in wide ranging applications such as medical treatment, plasma-assisted ignition and combustion, ozone production and environmental pollutant processing. However, electron density measurement during the propagation of the atmospheric-pressure streamers is extremely difficult by using the conventional localized type measurement systems due to the streamer initiation jitters and the irreproducibility in the discharge paths. In order to overcome the difficulties, single-shot two-dimensional electron density measurement was conducted by using a Shack-Hartmann type laser wavefront sensor. The Shack-Hartmann sensor with a temporal resolution of 2 ns was applied to pulsed positive streamer discharges generated in an air gap between pin-to-plate electrodes. The electron density a few ns after the streamer initiation was 7*1021m-3 and uniformly distributed along the streamer channel. The electron density and its distribution profile were compared with a previous study simulating similar streamers, demonstrating good agreement. This work was supported in part by JKA and its promotion funds from KEIRIN RACE. The authors like to thank Mr. Kazuaki Ogura and Mr. Kaiho Aono of The University of Tokyo for their support during this work.

Comparative study of the electron density profiles in the compact torus plasma merging experiments

International Nuclear Information System (INIS)

Hayashiya, Hitoshi; Asaka, Takeo; Katsurai, Makoto

2003-01-01

Following two previous papers on the comparative studies of the electron density distributions for a single compact torus (CT) and a spherical tokamak (ST), and for the a single ST and a merged ST, a comparative study on the dynamics of the electron density profile and after the CT and ST plasma merging process was performed. The sharpness of the peak in the electron density profile around the mid-plane just after the merging of CT with a low safety factor (q value) such as RFP or spheromak is found to be related to the speed of the magnetic axis during the plasma merging process. It is also found that the electron density gradient near the plasma edge in a high q ST is larger than that of a low q CT. High q ST is found to be provided with the magnetic structure which is able to sustain a large thermal pressure by a strong j x B force. Despite these differences in the electron density profile between CT and ST during merging, the confinement characteristics evaluated from the number of electrons confined within the magnetic separatrix after the completion of the merging is almost similar between in the merging CT and in the merging ST. For all configurations, the electron density profiles after the completion of the merging are analogous to those of the corresponding single configuration produced without the merging process. (author)

Spin polarization of electrons in quantum wires

OpenAIRE

Vasilchenko, A. A.

2013-01-01

The total energy of a quasi-one-dimensional electron system is calculated using density functional theory. It is shown that spontaneous ferromagnetic state in quantum wire occurs at low one-dimensional electron density. The critical electron density below which electrons are in spin-polarized state is estimated analytically.

Investigation of bulk electron densities for dose calculations on cone-beam CT images

International Nuclear Information System (INIS)

Lambert, J.; Parker, J.; Gupta, S.; Hatton, J.; Tang, C.; Capp, A.; Denham, J.W.; Wright, P.

2010-01-01

Full text: If cone-beam CT images are to be used for dose calculations, then the images must be able to provide accurate electron density information. Twelve patients underwent twice weekly cone-beam CT scans in addition to the planning CT scan. A standardised 5-field treatment plan was applied to 169 of the CBCT images. Doses were calculated using the original electron density values in the CBCT and with bulk electron densities applied. Bone was assigned a density of 288 HU, and all other tissue was assigned to be water equivalent (0 HU). The doses were compared to the dose calculated on the original planning CT image. Using the original HU values in the cone-beam images, the average dose del i vered by the plans from all 12 patients was I. I % lower than the intended 200 cOy delivered on the original CT plans (standard devia tion 0.7%, maximum difference -2.93%). When bulk electron densities were applied to the cone-beam images, the average dose was 0.3% lower than the original CT plans (standard deviation 0.8%, maximum difference -2.22%). Compared to using the original HU values, applying bulk electron densities to the CBCT images improved the dose calculations by almost I %. Some variation due to natural changes in anatomy should be expected. The application of bulk elec tron densities to cone beam CT images has the potential to improve the accuracy of dose calculations due to inaccurate H U values. Acknowledgements This work was partially funded by Cancer Council NSW Grant Number RG 07-06.

Scanning tunnelling microscope imaging of nanoscale electron density gradients on the surface of GaAs

International Nuclear Information System (INIS)

Hamilton, B; Jacobs, J; Missous, M

2003-01-01

This paper is concerned with the scanning tunnelling microscope tunnelling conditions needed to produce constant current images dominated either by surface topology or by electronic effects. A model experimental structure was produced by cleaving a GaAs multiδ-doped layer in UHV and so projecting a spatially varying electron gas density onto the (110) surface. This cross sectional electron density varies on a nanometre scale in the [100] growth direction. The electronic structure and tunnelling properties of this system were modelled, and the tunnelling conditions favouring sensitivity to the surface electron gas density determined

Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

Science.gov (United States)

Sun, Jianwei; Perdew, John P.; Yang, Zenghui; Peng, Haowei

2016-05-01

The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

Energy Technology Data Exchange (ETDEWEB)

Sun, Jianwei; Yang, Zenghui; Peng, Haowei [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States); Perdew, John P. [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States); Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122 (United States)

2016-05-21

The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

International Nuclear Information System (INIS)

Sun, Jianwei; Yang, Zenghui; Peng, Haowei; Perdew, John P.

2016-01-01

The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

Path integrals for electronic densities, reactivity indices, and localization functions in quantum systems.

Science.gov (United States)

Putz, Mihai V

2009-11-10

The density matrix theory, the ancestor of density functional theory, provides the immediate framework for Path Integral (PI) development, allowing the canonical density be extended for the many-electronic systems through the density functional closure relationship. Yet, the use of path integral formalism for electronic density prescription presents several advantages: assures the inner quantum mechanical description of the system by parameterized paths; averages the quantum fluctuations; behaves as the propagator for time-space evolution of quantum information; resembles Schrödinger equation; allows quantum statistical description of the system through partition function computing. In this framework, four levels of path integral formalism were presented: the Feynman quantum mechanical, the semiclassical, the Feynman-Kleinert effective classical, and the Fokker-Planck non-equilibrium ones. In each case the density matrix or/and the canonical density were rigorously defined and presented. The practical specializations for quantum free and harmonic motions, for statistical high and low temperature limits, the smearing justification for the Bohr's quantum stability postulate with the paradigmatic Hydrogen atomic excursion, along the quantum chemical calculation of semiclassical electronegativity and hardness, of chemical action and Mulliken electronegativity, as well as by the Markovian generalizations of Becke-Edgecombe electronic focalization functions - all advocate for the reliability of assuming PI formalism of quantum mechanics as a versatile one, suited for analytically and/or computationally modeling of a variety of fundamental physical and chemical reactivity concepts characterizing the (density driving) many-electronic systems.

Path Integrals for Electronic Densities, Reactivity Indices, and Localization Functions in Quantum Systems

Directory of Open Access Journals (Sweden)

Mihai V. Putz

2009-11-01

Full Text Available The density matrix theory, the ancestor of density functional theory, provides the immediate framework for Path Integral (PI development, allowing the canonical density be extended for the many-electronic systems through the density functional closure relationship. Yet, the use of path integral formalism for electronic density prescription presents several advantages: assures the inner quantum mechanical description of the system by parameterized paths; averages the quantum fluctuations; behaves as the propagator for time-space evolution of quantum information; resembles Schrödinger equation; allows quantum statistical description of the system through partition function computing. In this framework, four levels of path integral formalism were presented: the Feynman quantum mechanical, the semiclassical, the Feynman-Kleinert effective classical, and the Fokker-Planck non-equilibrium ones. In each case the density matrix or/and the canonical density were rigorously defined and presented. The practical specializations for quantum free and harmonic motions, for statistical high and low temperature limits, the smearing justification for the Bohr’s quantum stability postulate with the paradigmatic Hydrogen atomic excursion, along the quantum chemical calculation of semiclassical electronegativity and hardness, of chemical action and Mulliken electronegativity, as well as by the Markovian generalizations of Becke-Edgecombe electronic focalization functions – all advocate for the reliability of assuming PI formalism of quantum mechanics as a versatile one, suited for analytically and/or computationally modeling of a variety of fundamental physical and chemical reactivity concepts characterizing the (density driving many-electronic systems.

THE ELECTRON DENSITY IN EXPLOSIVE TRANSITION REGION EVENTS OBSERVED BY IRIS

Energy Technology Data Exchange (ETDEWEB)

Doschek, G. A.; Warren, H. P. [Space Science Division, Naval Research Laboratory, 4555 Overlook Avenue, SW, Washington, DC 20375 (United States); Young, P. R. [College of Science, George Mason University, 4400 University Drive, Fairfax, VA 22030 (United States)

2016-11-20

We discuss the intensity ratio of the O iv line at 1401.16 Å to the Si iv line at 1402.77 Å in Interface Region Imaging Spectrograph ( IRIS ) spectra. This intensity ratio is important if it can be used to measure high electron densities that cannot be measured using line intensity ratios of two different O iv lines from the multiplet within the IRIS wavelength range. Our discussion is in terms of considerably earlier observations made from the Skylab manned space station and other spectrometers on orbiting spacecraft. The earlier data on the O iv and Si iv ratio and other intersystem line ratios not available to IRIS are complementary to IRIS data. In this paper, we adopt a simple interpretation based on electron density. We adopt a set of assumptions and calculate the electron density as a function of velocity in the Si iv line profiles of two explosive events. At zero velocity the densities are about 2–3 × 10{sup 11} cm{sup -3}, and near 200 km s{sup -1} outflow speed the densities are about 10{sup 12} cm{sup -3}. The densities increase with outflow speed up to about 150 km s{sup -1} after which they level off. Because of the difference in the temperature of formation of the two lines and other possible effects such as non-ionization equilibrium, these density measurements do not have the precision that would be available if there were some additional lines near the formation temperature of O iv.

Probing electron density of H-bonding between cation-anion of imidazolium-based ionic liquids with different anions by vibrational spectroscopy.

Science.gov (United States)

Gao, Yan; Zhang, Liqun; Wang, Yong; Li, Haoran

2010-03-04

Attenuated total reflection infrared spectroscopy and density functional theory calculation have been employed to study the spectral properties of imidazolium-based ionic liquids (ILs) with different anions. ILs based on 1-butyl-3-methylimidazolium cation with different anions, OH(-), CF(3)CO(2)(-), HSO(4)(-), H(2)PO(4)(-), Cl(-), PF(6)(-), and BF(4)(-), are investigated in the present work. It has been shown that the C(2)-H stretching vibration of the imidazolium ring is closely related to the electron density of H-bonding between the two closest cations and anions for pure ILs. The electron density of H-bonding between cation and anion with different anions decreases in the order [OH](-) > [H(2)PO(4)](-) > [HSO(4)](-) > [CF(3)CO(2)](-) > [Cl](-) > [BF(4)](-) > [PF(6)](-). For aqueous ILs, with increasing water content, the aromatic C-H stretching vibration of the imidazolium cation showed systematic blue-shifts. Especially for BmimOH, the nu(C(2))(-H) undergoes a drastic blue-shift by 58 cm(-1), suggesting that the formation of the strong hydrogen bonds O-H...O may greatly weaken the electron density of H-bonding between the cation and anion of ILs.

Effect of morphology and defect density on electron transfer of electrochemically reduced graphene oxide

Energy Technology Data Exchange (ETDEWEB)

Zhang, Yan, E-mail: yanzhang@sues.edu.cn [School of Material Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China); Hao, Huilian, E-mail: huilian.hao@sues.edu.cn [School of Material Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China); Wang, Linlin, E-mail: wlinlin@mail.ustc.edu.cn [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China)

2016-12-30

Highlights: • Different morphologies of ERGO on the surface of GCE were prepared via different methods. • The defect densities of ERGO were controlled by tuning the mass or concentration of GO. • A higher defect density of ERGO accelerates electron transfer rate. • ERGO with more exposed edge planes shows significantly higher electron transfer kinetics. • Both edge planes and defect density contribute to electron transfer of ERGO. - Abstract: Electrochemically reduced graphene oxide (ERGO) is widely used to construct electrochemical sensors. Understanding the electron transfer behavior of ERGO is essential for its electrode material applications. In this paper, different morphologies of ERGO were prepared via two different methods. Compared to ERGO/GCEs prepared by electrochemical reduction of pre-deposited GO, more exposed edge planes of ERGO are observed on the surface of ERGO-GCE that was constructed by electrophoretic deposition of GO. The defect densities of ERGO were controlled by tuning the mass or concentration of GO. The electron transfer kinetics (k{sup 0}) of GCE with different ERGOs was comparatively investigated. Owing to increased surface areas and decreased defect density, the k{sup 0} values of ERGO/GCE initially increase and then decrease with incrementing of GO mass. When the morphology and surface real areas of ERGO-GCE are the same, an increased defect density induces an accelerated electron transfer rate. k{sup 0} valuesof ERGO-GCEs are about 1 order of magnitude higher than those of ERGO/GCEs due to the difference in the amount of edge planes. This work demonstrates that both defect densities and edge planes of ERGO play crucial roles in electron transfer kinetics.

Effect of morphology and defect density on electron transfer of electrochemically reduced graphene oxide

International Nuclear Information System (INIS)

Zhang, Yan; Hao, Huilian; Wang, Linlin

2016-01-01

Highlights: • Different morphologies of ERGO on the surface of GCE were prepared via different methods. • The defect densities of ERGO were controlled by tuning the mass or concentration of GO. • A higher defect density of ERGO accelerates electron transfer rate. • ERGO with more exposed edge planes shows significantly higher electron transfer kinetics. • Both edge planes and defect density contribute to electron transfer of ERGO. - Abstract: Electrochemically reduced graphene oxide (ERGO) is widely used to construct electrochemical sensors. Understanding the electron transfer behavior of ERGO is essential for its electrode material applications. In this paper, different morphologies of ERGO were prepared via two different methods. Compared to ERGO/GCEs prepared by electrochemical reduction of pre-deposited GO, more exposed edge planes of ERGO are observed on the surface of ERGO-GCE that was constructed by electrophoretic deposition of GO. The defect densities of ERGO were controlled by tuning the mass or concentration of GO. The electron transfer kinetics (k"0) of GCE with different ERGOs was comparatively investigated. Owing to increased surface areas and decreased defect density, the k"0 values of ERGO/GCE initially increase and then decrease with incrementing of GO mass. When the morphology and surface real areas of ERGO-GCE are the same, an increased defect density induces an accelerated electron transfer rate. k"0 valuesof ERGO-GCEs are about 1 order of magnitude higher than those of ERGO/GCEs due to the difference in the amount of edge planes. This work demonstrates that both defect densities and edge planes of ERGO play crucial roles in electron transfer kinetics.

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

Science.gov (United States)

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).

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

Science.gov (United States)

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

2017-08-01

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

Effective atomic numbers, electron densities and kinetic energy released in matter of vitamins for photon interaction

Science.gov (United States)

Shantappa, A.; Hanagodimath, S. M.

2014-01-01

Effective atomic numbers, electron densities of some vitamins (Retinol, Riboflavin, Niacin, Biotin, Folic acid, Cobalamin, Phylloquinone and Flavonoids) composed of C, H, O, N, Co, P and S have been calculated for total and partial photon interactions by the direct method for energy range 1 keV-100 GeV by using WinXCOM and kinetic energy released in matter (Kerma) relative to air is calculated in energy range of 1 keV-20 MeV. Change in effective atomic number and electron density with energy is calculated for all photon interactions. Variation of photon mass attenuation coefficients with energy are shown graphically only for total photon interaction. It is observed that change in mass attenuation coefficient with composition of different chemicals is very large below 100 keV and moderate between 100 keV and 10 MeV and negligible above 10 MeV. Behaviour of vitamins is almost indistinguishable except biotin and cobalamin because of large range of atomic numbers from 1(H) to 16 (S) and 1(H) to 27(Co) respectively. K a value shows a peak due to the photoelectric effect around K-absorption edge of high- Z constituent of compound for biotin and cobalamin.

Stability of Sarma phases in density imbalanced electron-hole bilayer systems

International Nuclear Information System (INIS)

Subasi, A. L.; Tanatar, B.; Pieri, P.; Senatore, G.

2010-01-01

We study excitonic condensation in an electron-hole bilayer system with unequal layer densities at zero temperature. Using mean-field theory we solve the Bardeen-Cooper-Schrieffer (BCS) gap equations numerically and investigate the effects of intralayer interactions. The electron-hole system evolves from BCS in the weak coupling limit to Bose-Einstein condensation (BEC) in the strong coupling limit. We analyze the stability of the Sarma phase with k,-k pairing by calculating the superfluid mass density and also by checking the compressibility matrix. We find that with bare Coulomb interactions the superfluid density is always positive in the Sarma phase, due to a peculiar momentum structure of the gap function originating from the singular behavior of the Coulomb potential at zero momentum and the presence of a sharp Fermi surface. Introducing a simple model for screening, we find that the superfluid density becomes negative in some regions of the phase diagram, corresponding to an instability toward a Fulde-Ferrel-Larkin-Ovchinnikov-type superfluid phase. Thus, intralayer interaction and screening together can lead to a rich phase diagram in the BCS-BEC crossover regime in electron-hole bilayer systems.

Retrieval of Electron Density Profile for KOMPSAT-5 GPS Radio Occultation

Directory of Open Access Journals (Sweden)

Woo-Kyoung Lee

2007-12-01

Full Text Available The AOPOD (Atmosphere Occultation and Precision Orbit Determination system, the secondary payload of KOMPSAT (KOrea Multi-Purpose SATellite-5 scheduled to be launched in 2010, shall provide GPS radio occultation data. In this paper, we simulated the GPS radio occultation characteristic of KOMPSAT-5 and retrieved electron density profiles using KROPS (KASI Radio Occultation Processing Software. The electron density retrieved from CHAMP (CHAllenging Minisatellite Payload GPS radio occultation data on June 20, 2004 was compared with IRI (International Reference Ionosphere - 2001, PLP (Planar Langmuir Probe, and ionosonde measurements. When the result was compared with ionosonde measurements, the discrepancies were 5 km on the F_2 peak height (hmF_2 and 3×10^{10} el/m^3 on the electron density of the F_2 peak height (NmF_2. By comparing with the Langmuir Probe measurements of CHAMP satellite (PLP, both agrees with 1.6×10^{11} el/m^3 at the height of 365.6 km.

Assembling phosphorene flexagons for 2D electron-density-guided nanopatterning and nanofabrication.

Science.gov (United States)

Kang, Kisung; Jang, Woosun; Soon, Aloysius

2017-07-27

To build upon the rich structural diversity in the ever-increasing polymorphic phases of two-dimensional phosphorene, we propose different assembly methods (namely, the "bottom-up" and "top-down" approaches) that involve four commonly reported parent phases (i.e. the α-, β-, γ-, and δ-phosphorene) in combination with the lately reported remarkably low-energy one-dimensional defects in α-phosphorene. In doing so, we generate various periodically repeated phosphorene patterns in these so-called phosphorene flexagons and present their local electron density (via simulated scanning tunneling microscopy (STM) images). These interesting electron density patterns seen in the flexagons (mimicking symmetry patterns that one may typically see in a kaleidoscope) may assist as potential 2D templates where electron-density-guided nanopatterning and nanofabrication in complex organized nanoarchitectures are important.

Reduction of electron density in a plasma by injection of liquids

Science.gov (United States)

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

1974-01-01

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

Comparative evaluation of PSA-Density, percent free PSA and total PSA

OpenAIRE

Ströbel, Greta

2010-01-01

BACKGROUND The objective of this study was to evaluate the prostate specific antigen (PSA) density (PSAD) (the quotient of PSA and prostate volume) compared with the percent free PSA (%fPSA) and total PSA (tPSA) in different total PSA (tPSA) ranges from 2 ng/mL to 20 ng/mL. Possible cut-off levels depending on the tPSA should be established. METHODS In total, 1809 men with no pretreatment of the prostate were enrolled between 1996 and 2004. Total and free PSA were measured with t...

Critical density for Landau damping in a two-electron-component plasma

Energy Technology Data Exchange (ETDEWEB)

Rupp, Constantin F.; López, Rodrigo A.; Araneda, Jaime A. [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Concepción, Concepción (Chile)

2015-10-15

The asymptotic evolution of an initial perturbation in a collisionless two-electron-component plasma with different temperatures is studied numerically. The transition between linear and nonlinear damping regimes is determined by slowly varying the density of the secondary electron-component using high-resolution Vlasov-Poisson simulations. It is shown that, for fixed amplitude perturbations, this transition behaves as a critical phenomenon with time scales and field amplitudes exhibiting power-law dependencies on the threshold density, similar to the critical amplitude behavior in a single-component plasma.

First assimilations of COSMIC radio occultation data into the Electron Density Assimilative Model (EDAM

Directory of Open Access Journals (Sweden)

M. J. Angling

2008-02-01

Full Text Available Ground based measurements of slant total electron content (TEC can be assimilated into ionospheric models to produce 3-D representations of ionospheric electron density. The Electron Density Assimilative Model (EDAM has been developed for this purpose. Previous tests using EDAM and ground based data have demonstrated that the information on the vertical structure of the ionosphere is limited in this type of data. The launch of the COSMIC satellite constellation provides the opportunity to use radio occultation data which has more vertical information. EDAM assimilations have been run for three time periods representing quiet, moderate and disturbed geomagnetic conditions. For each run, three data sets have been ingested – only ground based data, only COSMIC data and both ground based and COSMIC data. The results from this preliminary study show that both ground and space based data are capable of improving the representation of the vertical structure of the ionosphere. However, the analysis is limited by the incomplete deployment of the COSMIC constellation and the use of auto-scaled ionosonde data. The first of these can be addressed by repeating this type of study once full deployment has been achieved. The latter requires the manual scaling of ionosonde data; ideally an agreed data set would be scaled and made available to the community to facilitate comparative testing of assimilative models.

Determinations of total residue, total oxide and density of high-level liquid waste (HLLW) by gravimetric method

International Nuclear Information System (INIS)

Li Yun; Gao Yueying; Yang Ming; Jin Liyun

1992-01-01

Gravimetric method for determination of total residue, total oxide and density of HLLW is developed. An aliquot of the original HLLW solution is piped on to the small quartz disc and put into the mini muffle furnace carefully. It is first heated to below 100 degree C (for 1.5 hours to remove the free water, and then heated to 180 degree C for 2 hours to remove the crystal water in a furnace. The total residue is weighed at room temperature. The precision is better than 3% for the determination of total residue and total oxide. An aliquot of the original HLLW solution is piped into the weighing bottle and weighed. The precision is better than 1%

Monte Carlo modeling of electron density in hypersonic rarefied gas flows

Energy Technology Data Exchange (ETDEWEB)

Fan, Jin; Zhang, Yuhuai; Jiang, Jianzheng [State Key Laboratory of High Temperature Gas Dynamics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China)

2014-12-09

The electron density distribution around a vehicle employed in the RAM-C II flight test is calculated with the DSMC method. To resolve the mole fraction of electrons which is several orders lower than those of the primary species in the free stream, an algorithm named as trace species separation (TSS) is utilized. The TSS algorithm solves the primary and trace species separately, which is similar to the DSMC overlay techniques; however it generates new simulated molecules of trace species, such as ions and electrons in each cell, basing on the ionization and recombination rates directly, which differs from the DSMC overlay techniques based on probabilistic models. The electron density distributions computed by TSS agree well with the flight data measured in the RAM-C II test along a decent trajectory at three altitudes 81km, 76km, and 71km.

Current density monitor for intense relativistic electron beams

International Nuclear Information System (INIS)

Fiorito, R.B.; Raleigh, M.; Seltzer, S.M.

1986-01-01

We describe a new type of electric probe which is capable of measuring the time-resolved current density profile of a stable, reproducible, high-energy (>4-MeV) high-current (>1-kA) electron beam. The sensing element of this probe is an open-ended but capped-off 50-Ω coaxial line constructed of graphite. The graphite sensor is 4.3 mm in diameter, 6 cm long, and is range thin to the primary beam electrons. The probe produces a signal proportional to the intercepted beam current. When the sensor is scanned radially through the beam during repeated pulses, a curve of signal versus depth of insertion is produced from which the radial current density profile can be determined. Measurements are presented of the profile of the electron beam from the Experimental Test Accelerator (4.5 MeV, 10 kA) at Lawrence Livermore National Laboratory. Good agreement is shown between measurements made with this probe and the beam radius as predicted by transport codes. The advantage of the electric probe lies in its ruggedness, simplicity, inherent fast rise time, and low cost. In contrast to other systems it requires no radiation shielding, water cooling, or auxiliary support equipment to operate in an intense beam environment

On extending Kohn-Sham density functionals to systems with fractional number of electrons.

Science.gov (United States)

Li, Chen; Lu, Jianfeng; Yang, Weitao

2017-06-07

We analyze four ways of formulating the Kohn-Sham (KS) density functionals with a fractional number of electrons, through extending the constrained search space from the Kohn-Sham and the generalized Kohn-Sham (GKS) non-interacting v-representable density domain for integer systems to four different sets of densities for fractional systems. In particular, these density sets are (I) ensemble interacting N-representable densities, (II) ensemble non-interacting N-representable densities, (III) non-interacting densities by the Janak construction, and (IV) non-interacting densities whose composing orbitals satisfy the Aufbau occupation principle. By proving the equivalence of the underlying first order reduced density matrices associated with these densities, we show that sets (I), (II), and (III) are equivalent, and all reduce to the Janak construction. Moreover, for functionals with the ensemble v-representable assumption at the minimizer, (III) reduces to (IV) and thus justifies the previous use of the Aufbau protocol within the (G)KS framework in the study of the ground state of fractional electron systems, as defined in the grand canonical ensemble at zero temperature. By further analyzing the Aufbau solution for different density functional approximations (DFAs) in the (G)KS scheme, we rigorously prove that there can be one and only one fractional occupation for the Hartree Fock functional, while there can be multiple fractional occupations for general DFAs in the presence of degeneracy. This has been confirmed by numerical calculations using the local density approximation as a representative of general DFAs. This work thus clarifies important issues on density functional theory calculations for fractional electron systems.

Influence of carrier density on the electronic cooling channels of bilayer graphene

Science.gov (United States)

Limmer, T.; Houtepen, A. J.; Niggebaum, A.; Tautz, R.; Da Como, E.

2011-09-01

We study the electronic cooling dynamics in a single flake of bilayer graphene by femtosecond transient absorption probing the photon-energy range 0.25-1.3 eV. From the transients, we extract the carrier cooling curves for different initial temperatures and densities of the photoexcited electrons and holes. Two regimes of carrier cooling, dominated by optical and acoustic phonons emission, are clearly identified. For increasing carrier density, the crossover between the two regimes occurs at larger carrier temperatures, since cooling via optical phonons experiences a bottleneck. Acoustic phonons, which are less sensitive to saturation, show an increasing contribution at high density.

Measurements of low density, high velocity flow by electron beam fluorescence technique

International Nuclear Information System (INIS)

Soga, Takeo; Takanishi, Masaya; Yasuhara, Michiru

1981-01-01

A low density chamber with an electron gun system was made for the measurements of low density, high velocity (high Mach number) flow. This apparatus is a continuous running facility. The number density and the rotational temperature in the underexpanding free jet of nitrogen were measured along the axis of the jet by the electron beam fluorescence technique. The measurements were carried out from the vicinity of the exit of the jet to far downstream of the first Mach disk. Rotational nonequilibrium phenomena were observed in the hypersonic flow field as well as in the shock wave (Mach disk). (author)

Dynamic analysis of electron density in the course of the internal motion of molecular system

International Nuclear Information System (INIS)

Tachibana, A.; Hori, K.; Asai, Y.; Yamabe, T.

1984-01-01

The general dynamic aspect of electron density of a molecular system is studied on the basis of the general equation of the electron orbital which is formulated for the dynamic study of electronic motion. The newly defined electron orbital incorporates the dynamics of molecular vibration into the electronic structures. In this scheme, the change of electron distribution caused by excitation of vibrational state is defined as the ''dynamic electron transfer.'' The dynamic electron density is found to have the remarkable ''additive'' property. The time-dependent aspect of the dynamic electron redistribution is also analyzed on the basis of the ''coherent state.'' The new method relates the classical vibrational amplitude to the quantum number of the vibrational state. As a preliminary application of the present treatment, the dynamic electron densities of H 2 , HD, HT, HF, and HCl molecules are calculated by use of ab initio molecular orbital method

Determination of Hydrogen Density by Swift Heavy Ions.

Science.gov (United States)

Xu, Ge; Barriga-Carrasco, M D; Blazevic, A; Borovkov, B; Casas, D; Cistakov, K; Gavrilin, R; Iberler, M; Jacoby, J; Loisch, G; Morales, R; Mäder, R; Qin, S-X; Rienecker, T; Rosmej, O; Savin, S; Schönlein, A; Weyrich, K; Wiechula, J; Wieser, J; Xiao, G Q; Zhao, Y T

2017-11-17

A novel method to determine the total hydrogen density and, accordingly, a precise plasma temperature in a lowly ionized hydrogen plasma is described. The key to the method is to analyze the energy loss of swift heavy ions interacting with the respective bound and free electrons of the plasma. A slowly developing and lowly ionized hydrogen theta-pinch plasma is prepared. A Boltzmann plot of the hydrogen Balmer series and the Stark broadening of the H_{β} line preliminarily defines the plasma with a free electron density of (1.9±0.1)×10^{16}  cm^{-3} and a free electron temperature of 0.8-1.3 eV. The temperature uncertainty results in a wide hydrogen density, ranging from 2.3×10^{16} to 7.8×10^{18}  cm^{-3}. A 108 MHz pulsed beam of ^{48}Ca^{10+} with a velocity of 3.652  MeV/u is used as a probe to measure the total energy loss of the beam ions. Subtracting the calculated energy loss due to free electrons, the energy loss due to bound electrons is obtained, which linearly depends on the bound electron density. The total hydrogen density is thus determined as (1.9±0.7)×10^{17}  cm^{-3}, and the free electron temperature can be precisely derived as 1.01±0.04  eV. This method should prove useful in many studies, e.g., inertial confinement fusion or warm dense matter.

Plasma electron density measurement with multichannel microwave interferometer on the HL-1 tokamak device

International Nuclear Information System (INIS)

Xu Deming; Zhang Hongyin; Liu Zetian; Ding Xuantong; Li Qirui; Wen Yangxi

1989-11-01

A multichannel microwave interferometer which is composed of different microwave interferometers (one 2 mm band, one 4 mm band and two 8 mm band) has been used to measure the plasma electron density on HL-1 tokamak device. The electron density approaching to 5 x 10 13 cm -3 is measured by a 2 mm band microwave interferometer. In the determinable range, the electron density profile in the cross-section on HL-1 device has been measured by this interferometer. A microcomputer data processing system is also developed

Extension of electron cyclotron heating at ASDEX Upgrade with respect to high density operation

Directory of Open Access Journals (Sweden)

Schubert Martin

2017-01-01

Full Text Available The ASDEX Upgrade electron cyclotron resonance heating operates at 105 GHz and 140 GHz with flexible launching geometry and polarization. In 2016 four Gyrotrons with 10 sec pulse length and output power close to 1 MW per unit were available. The system is presently being extended to eight similar units in total. High heating power and high plasma density operation will be a part of the future ASDEX Upgrade experiment program. For the electron cyclotron resonance heating, an O-2 mode scheme is proposed, which is compatible with the expected high plasma densities. It may, however, suffer from incomplete single-pass absorption. The situation can be improved significantly by installing holographic mirrors on the inner column, which allow for a second pass of the unabsorbed fraction of the millimetre wave beam. Since the beam path in the plasma is subject to refraction, the beam position on the holographic mirror has to be controlled. Thermocouples built into the mirror surface are used for this purpose. As a protective measure, the tiles of the heat shield on the inner column were modified in order to increase the shielding against unabsorbed millimetre wave power.

A new Langmuir probe concept for rapid sampling of space plasma electron density

International Nuclear Information System (INIS)

Jacobsen, K S; Pedersen, A; Moen, J I; Bekkeng, T A

2010-01-01

In this paper we describe a new Langmuir probe concept that was invented for the in situ investigation of HF radar backscatter irregularities, with the capability to measure absolute electron density at a resolution sufficient to resolve the finest conceivable structure in an ionospheric plasma. The instrument consists of two or more fixed-bias cylindrical Langmuir probes whose radius is small compared to the Debye length. With this configuration, it is possible to acquire absolute electron density measurements independent of electron temperature and rocket/satellite potential. The system was flown on the ICI-2 sounding rocket to investigate the plasma irregularities which cause HF backscatter. It had a sampling rate of more than 5 kHz and successfully measured structures down to the scale of one electron gyro radius. The system can easily be adapted for any ionospheric rocket or satellite, and provides high-quality measurements of electron density at any desired resolution

Electron mobility in supercritical ethane as a function of density and temperature

International Nuclear Information System (INIS)

Nishikawa, M.; Holroyd, R.A.; Sowada, U.

1980-01-01

The electron mobility is reported for ethane as a function of density at various temperatures above T/sub c/. The high pressure cell used permits measurements to 200 atm. Our analysis shows that theory is consistent with the ethane mobility results at low and intermediate densities. At densities less than 1 x 10 21 molecules/cm 3 electrons are scattered by isolated ethane molecules and the Lorentz equation is valid. At intermediate densities, μ/sub e/ correlates with the square of the velocity of sound, indicating that in dense fluids the adiabatic compressibility must be included. The data are consistent with a modified Cohen--Lekner equation, and the minimum in μ/sub e/N observed at densities just below d/sub c/ is qualitatively accounted for by changes in the adiabatic compressibility. Thus the concept of quasilocalization, suggested by others to qualitatively explain such minima, is unnecessary here. At higher densities an additional, unspecified, scattering mechanism becomes important

Changing electronic density in sites of crystalline lattice under superconducting of phase transition

International Nuclear Information System (INIS)

Turaev, N.Yu.; Turaev, E.Yu.; Khuzhakulov, E.S.; Seregin, P.P.

2006-01-01

Results of electron density change calculations for sites of the one-dimensional Kronig-Penny lattice at the superconducting phase transition have been presented. The transition from normal state to super conducting one is accompanied by the rise of the electron density at the unit cell centre. It is agreement with Moessbauer spectroscopy data. (author)

Measurements of the Electron Cloud Density in the PEP-II Low Energy Ring

Energy Technology Data Exchange (ETDEWEB)

Byrd, John; De Santis, Stefano; Sonnad, Kiran; Caspers, Fritz; Kroyer, Tom; Krasnykh, Anatoly; Pivi, Mauro

2008-06-01

Clouds of low energy electronsin the vacuum beam pipes of accelerators of positively charged particle beams present a serious limitation for operation of these machines at high currents. Because of the size of these accelerators, it is difficult to probe the low energyelectron clouds over substantial lengths of the beam pipe. We have developed a novel technique to directly measure the electron cloud density via the phase shift induced in a TE wave that is independently excited and transmitted over a section of the accelerator. We infer the absolute phase shift with relatively high accuracy from the phase modulation of the transmission due to the modulation of the electron cloud density from a gap in the positively charged beam. We have used this technique for the first time to measure the average electron cloud density over a 50 m straight section in the positron ring of the PEP-II collider at the Stanford Linear Accelerator Center. We have also measured the variation of the density by using low field solenoid magnets to control the electrons.

Edge electron density profiles and fluctuations measured by two-dimensional beam emission spectroscopy in the KSTAR

Energy Technology Data Exchange (ETDEWEB)

Nam, Y. U., E-mail: yunam@nfri.re.kr; Wi, H. M. [National Fusion Research Institute, Daejeon (Korea, Republic of); Zoletnik, S.; Lampert, M. [Wigner RCP Institute for Particle and Nuclear Physics, Budapest (Hungary); Kovácsik, Ákos [Institute of Nuclear Techniques, Budapest Technical University, Budapest (Hungary)

2014-11-15

Beam emission spectroscopy (BES) system in Korea Superconducting Tokamak Advanced Research (KSTAR) has recently been upgraded. The background intensity was reduced from 30% to 2% by suppressing the stray lights. This allows acquisition of the relative electron density profiles on the plasma edge without background subtraction from the beam power modulation signals. The KSTAR BES system has its spatial resolution of 1 cm, the temporal resolution of 2 MHz, and a total 32 channel (8 radial × 4 poloidal) avalanche photo diode array. Most measurements were done on the plasma edge, r/a ∼ 0.9, with 8 cm radial measurement width that covers the pedestal range. High speed density profile measurements reveal temporal behaviors of fast transient events, such as the precursors of edge localized modes and the transitions between confinement modes. Low background level also allows analysis of the edge density fluctuation patterns with reduced background fluctuations. Propagation of the density structures can be investigated by comparing the phase delays between the spatially distributed channels.

Time-dependent density functional theory for many-electron systems interacting with cavity photons.

Science.gov (United States)

Tokatly, I V

2013-06-07

Time-dependent (current) density functional theory for many-electron systems strongly coupled to quantized electromagnetic modes of a microcavity is proposed. It is shown that the electron-photon wave function is a unique functional of the electronic (current) density and the expectation values of photonic coordinates. The Kohn-Sham system is constructed, which allows us to calculate the above basic variables by solving self-consistent equations for noninteracting particles. We suggest possible approximations for the exchange-correlation potentials and discuss implications of this approach for the theory of open quantum systems. In particular we show that it naturally leads to time-dependent density functional theory for systems coupled to the Caldeira-Leggett bath.

Exact correlated kinetic energy related to the electron density for two-electron model atoms with harmonic confinement

International Nuclear Information System (INIS)

March, Norman H.; Akbari, Ali; Rubio, Angel

2007-01-01

For arbitrary interparticle interaction u(r 12 ), the model two-electron atom in the title is shown to be such that the ground-state electron density ρ(r) is determined uniquely by the correlated kinetic energy density t R (r) of the relative motion. Explicit results for t R (r) are presented for the Hookean atom with force constant k=1/4, and also for u(r 12 )=(λ)/(r 12 2 ) . Possible relevance of the Hookean atom treatment to the ground state of the helium atom itself is briefly discussed

Equatorial bottom and topside electron density profiles and comparison with IRI

International Nuclear Information System (INIS)

Reinisch, B.W.; Huang, X.; Conway, J.; Komjathy, A.

2001-01-01

A new technique of estimating the ionospheric topside profile from the information contained in the groundbased ionograms is described. The electron density profile above the F2 layer peak is approximated by an α-Chapman function with a constant scale height that is derived from the bottomside profile shape near the F2 peak. The scale height is obtained from the bottomside profile by representing the latter in terms of α-Chapman functions with scale heights H(h) that vary as a function of height. The scale height at the layer peak is then used for the topside profile. The bottomside and topside electron contents is obtained by integrating the electron density from h=0 to hmF2 and from hmF2 to ∞. The ionogram derived electron content values for Jicamarca in 1998 are compared with the respective IRI values. (author)

Harmonic analysis of the ionospheric electron densities retrieved from FORMOSAT-3/COSMIC radio occultation measurements

Science.gov (United States)

Masoumi, S.; Safari, A.; Sharifi, M.; Sam Khaniani, A.

2011-12-01

In order to investigate regular variations of the ionosphere, the least-squares harmonic estimation is applied to the time series of ionospheric electron densities in the region of Iran derived from about five years of Global Positioning System Radio Occultation (GPS RO) observations by FORMOSAT-3/COSMIC satellites. Although the obtained results are slightly different from the expected ones due to the low horizontal resolution of RO measurements, high vertical resolution of the observations enables us to detect not only the Total Electron Content (TEC) variations, but also periodic patterns of electron densities in different altitudes of the ionosphere. Dominant diurnal and annual signals, together with their Fourier series decompositions, and also periods close to 27 days are obtained, which is consistent with the previous analyses on TEC. In the equatorial anomaly band, the annual component is weaker than its Fourier decomposition periods. In particular, the semiannual period dominates the annual component, which is probably due to the effect of geomagnetic field. By the investigation of the frequencies at different local times, the semiannual signal is more significant than the annual one in the daytime, while the annual frequency is dominant at night. By the detection of the phases of the components, it is revealed that the annual signal has its maximum in summer at high altitudes, and in winter at lower altitudes. This suggests the effect of neutral compositions in the lower atmosphere. Further, the semiannual component peaks around equinox during the day, while its maximum mostly occurs in solstice at night. Since RO measurements can be used to derive TEC along the signal path between a GPS satellite and a receiver, study on the potentiality of using these observations for the prediction of electron densities and its application to the ionospheric correction of the single frequency receivers is suggested.

Development and application of a 2-electron reduced density matrix approach to electron transport via molecular junctions

Science.gov (United States)

Hoy, Erik P.; Mazziotti, David A.; Seideman, Tamar

2017-11-01

Can an electronic device be constructed using only a single molecule? Since this question was first asked by Aviram and Ratner in the 1970s [Chem. Phys. Lett. 29, 277 (1974)], the field of molecular electronics has exploded with significant experimental advancements in the understanding of the charge transport properties of single molecule devices. Efforts to explain the results of these experiments and identify promising new candidate molecules for molecular devices have led to the development of numerous new theoretical methods including the current standard theoretical approach for studying single molecule charge transport, i.e., the non-equilibrium Green's function formalism (NEGF). By pairing this formalism with density functional theory (DFT), a wide variety of transport problems in molecular junctions have been successfully treated. For some systems though, the conductance and current-voltage curves predicted by common DFT functionals can be several orders of magnitude above experimental results. In addition, since density functional theory relies on approximations to the exact exchange-correlation functional, the predicted transport properties can show significant variation depending on the functional chosen. As a first step to addressing this issue, the authors have replaced density functional theory in the NEGF formalism with a 2-electron reduced density matrix (2-RDM) method, creating a new approach known as the NEGF-RDM method. 2-RDM methods provide a more accurate description of electron correlation compared to density functional theory, and they have lower computational scaling compared to wavefunction based methods of similar accuracy. Additionally, 2-RDM methods are capable of capturing static electron correlation which is untreatable by existing NEGF-DFT methods. When studying dithiol alkane chains and dithiol benzene in model junctions, the authors found that the NEGF-RDM predicts conductances and currents that are 1-2 orders of magnitude below

Role of substituents on the reactivity and electron density profile of ...

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences; Volume 125; Issue 5. Role of substituents on the reactivity and electron density profile of diimine ligands: A density functional theory based study. Bhakti S Kulkarni Deepti Mishra Sourav Pal. Volume 125 Issue 5 September 2013 pp 1247-1258 ...

Correlated electron dynamics and memory in time-dependent density functional theory

International Nuclear Information System (INIS)

Thiele, Mark

2009-01-01

Time-dependent density functional theory (TDDFT) is an exact reformulation of the time-dependent many-electron Schroedinger equation, where the problem of many interacting electrons is mapped onto the Kohn-Sham system of noninteracting particles which reproduces the exact electronic density. In the Kohn-Sham system all non-classical many-body effects are incorporated in the exchange-correlation potential which is in general unknown and needs to be approximated. It is the goal of this thesis to investigate the connection between memory effects and correlated electron dynamics in strong and weak fields. To this end one-dimensional two-electron singlet systems are studied. At the same time these systems include the onedimensional helium atom model, which is an established system to investigate the crucial effects of correlated electron dynamics in external fields. The studies presented in this thesis show that memory effects are negligible for typical strong field processes. Here the approximation of the spatial nonlocality is of primary importance. For the photoabsorption spectra on the other hand the neglect of memory effects leads to qualitative and quantitative errors, which are shown to be connected to transitions of double excitation character. To develop a better understanding of the conditions under which memory effects become important quantum fluid dynamics has been found to be especially suitable. It represents a further exact reformulation of the quantum mechanic many-body problem which is based on hydrodynamic quantities such as density and velocity. Memory effects are shown to be important whenever the velocity field develops strong gradients and dissipative effects contribute. (orig.)

Correlated electron dynamics and memory in time-dependent density functional theory

Energy Technology Data Exchange (ETDEWEB)

Thiele, Mark

2009-07-28

Time-dependent density functional theory (TDDFT) is an exact reformulation of the time-dependent many-electron Schroedinger equation, where the problem of many interacting electrons is mapped onto the Kohn-Sham system of noninteracting particles which reproduces the exact electronic density. In the Kohn-Sham system all non-classical many-body effects are incorporated in the exchange-correlation potential which is in general unknown and needs to be approximated. It is the goal of this thesis to investigate the connection between memory effects and correlated electron dynamics in strong and weak fields. To this end one-dimensional two-electron singlet systems are studied. At the same time these systems include the onedimensional helium atom model, which is an established system to investigate the crucial effects of correlated electron dynamics in external fields. The studies presented in this thesis show that memory effects are negligible for typical strong field processes. Here the approximation of the spatial nonlocality is of primary importance. For the photoabsorption spectra on the other hand the neglect of memory effects leads to qualitative and quantitative errors, which are shown to be connected to transitions of double excitation character. To develop a better understanding of the conditions under which memory effects become important quantum fluid dynamics has been found to be especially suitable. It represents a further exact reformulation of the quantum mechanic many-body problem which is based on hydrodynamic quantities such as density and velocity. Memory effects are shown to be important whenever the velocity field develops strong gradients and dissipative effects contribute. (orig.)

Density-matrix formalism for the photoion-electron entanglement in atomic photoionization

International Nuclear Information System (INIS)

Radtke, T.; Fritzsche, S.; Surzhykov, A.

2006-01-01

The density-matrix theory, based on Dirac's relativistic equation, is applied for studying the entanglement between the photoelectron and residual ion in the course of the photoionization of atoms and ions. In particular, emphasis is placed on deriving the final-state density matrix of the overall system 'photoion+electron', including interelectronic effects and the higher multipoles of the radiation field. This final-state density matrix enables one immediately to analyze the change of entanglement as a function of the energy, angle and the polarization of the incoming light. Detailed computations have been carried out for the 5s photoionization of neutral strontium, leading to a photoion in a 5s 2 S J f =1/2 level. It is found that the photoion-electron entanglement decreases significantly near the ionization threshold and that, in general, it depends on both the photon energy and angle. The possibility to extract photoion-electron pairs with a well-defined degree of entanglement may have far-reaching consequences for quantum information and elsewhere

Ligand Electron Density Shape Recognition Using 3D Zernike Descriptors

Science.gov (United States)

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.

Studies on effective atomic numbers and electron densities in amino acids and sugars in the energy range 30-1333 keV

International Nuclear Information System (INIS)

Gowda, Shivalinge; Krishnaveni, S.; Gowda, Ramakrishna

2005-01-01

The effective atomic numbers and electron densities of the amino acids glycine, alanine, serine, valine, threonine, leucine, isoleucine, aspartic acid, lysine, glutamic acid, histidine, phenylalanine, arginine, tyrosine, tryptophane and the sugars arabinose, ribose, glucose, galactose, mannose, fructose, rhamnose, maltose, melibiose, melezitose and raffinose at the energies 30.8, 35.0, 81.0, 145, 276.4, 302.9, 356, 383.9, 661.6, 1173 and 1332.5 keV were calculated by using the measured total attenuation cross-sections. The interpolations of total attenuation cross-sections for photons of energy E in elements of atomic number Z was performed using the logarithmic regression analysis of the XCOM data in the photon energy region 30-1500 keV. The best-fit coefficients obtained by a piece wise interpolation method were used to find the effective atomic number and electron density of the compounds. These values are found to be in good agreement with the theoretical values calculated based on XCOM data

Studies on effective atomic numbers and electron densities in amino acids and sugars in the energy range 30-1333 keV

Energy Technology Data Exchange (ETDEWEB)

Gowda, Shivalinge [Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006 (India); Krishnaveni, S. [Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006 (India); Gowda, Ramakrishna [Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006 (India)]. E-mail: ramakrishnagowda@yahoo.com

2005-10-15

The effective atomic numbers and electron densities of the amino acids glycine, alanine, serine, valine, threonine, leucine, isoleucine, aspartic acid, lysine, glutamic acid, histidine, phenylalanine, arginine, tyrosine, tryptophane and the sugars arabinose, ribose, glucose, galactose, mannose, fructose, rhamnose, maltose, melibiose, melezitose and raffinose at the energies 30.8, 35.0, 81.0, 145, 276.4, 302.9, 356, 383.9, 661.6, 1173 and 1332.5 keV were calculated by using the measured total attenuation cross-sections. The interpolations of total attenuation cross-sections for photons of energy E in elements of atomic number Z was performed using the logarithmic regression analysis of the XCOM data in the photon energy region 30-1500 keV. The best-fit coefficients obtained by a piece wise interpolation method were used to find the effective atomic number and electron density of the compounds. These values are found to be in good agreement with the theoretical values calculated based on XCOM data.

Density and temperature of energetic electrons in the Earth's magnetotail derived from high-latitude GPS observations during the declining phase of the solar cycle

Directory of Open Access Journals (Sweden)

M. H. Denton

2011-10-01

Full Text Available Single relativistic-Maxwellian fits are made to high-latitude GPS-satellite observations of energetic electrons for the period January 2006–November 2010; a constellation of 12 GPS space vehicles provides the observations. The derived fit parameters (for energies ~0.1–1.0 MeV, in combination with field-line mapping on the nightside of the magnetosphere, provide a survey of the energetic electron density and temperature distribution in the magnetotail between McIlwain L-values of L=6 and L=22. Analysis reveals the characteristics of the density-temperature distribution of energetic electrons and its variation as a function of solar wind speed and the Kp index. The density-temperature characteristics of the magnetotail energetic electrons are very similar to those found in the outer electron radiation belt as measured at geosynchronous orbit. The energetic electron density in the magnetotail is much greater during increased geomagnetic activity and during fast solar wind. The total electron density in the magnetotail is found to be strongly correlated with solar wind speed and is at least a factor of two greater for high-speed solar wind (VSW=500–1000 km s−1 compared to low-speed solar wind (VSW=100–400 km s−1. These results have important implications for understanding (a how the solar wind may modulate entry into the magnetosphere during fast and slow solar wind, and (b if the magnetotail is a source or a sink for the outer electron radiation belt.

Relativistic density functional theory with picture-change corrected electron density based on infinite-order Douglas-Kroll-Hess method

Science.gov (United States)

Oyama, Takuro; Ikabata, Yasuhiro; Seino, Junji; Nakai, Hiromi

2017-07-01

This Letter proposes a density functional treatment based on the two-component relativistic scheme at the infinite-order Douglas-Kroll-Hess (IODKH) level. The exchange-correlation energy and potential are calculated using the electron density based on the picture-change corrected density operator transformed by the IODKH method. Numerical assessments indicated that the picture-change uncorrected density functional terms generate significant errors, on the order of hartree for heavy atoms. The present scheme was found to reproduce the energetics in the four-component treatment with high accuracy.

Hβ Stark broadening in cold plasmas with low electron densities calibrated with Thomson scattering

International Nuclear Information System (INIS)

Palomares, J.M.; Hübner, S.; Carbone, E.A.D.; Vries, N. de; Veldhuizen, E.M. de; Sola, A.; Gamero, A.; Mullen, J.J.A.M. van der

2012-01-01

In the present work Stark broadening measurements have been carried out on low electron density (n e 19 m −3 ) and (relatively) low gas temperature (T g e . - Highlights: ► Stark broadening measurements at low density and temperature conditions ► Calibration with Thomson scattering ► Indications of the non-Lorentzian shape of the Stark broadening ► Impossibility of simultaneous diagnostic of gas temperature and electron density

'Anomalous electron transport' with 'Giant Current Density' at room temperature observed with nanogranular materials

International Nuclear Information System (INIS)

Koops, Hans W.P.

2013-01-01

Focused electron beam induced deposition is a novel bottom up nano-structurization technology. An electron beam of high power density is used to generate nano- structures with dimensions > 20 nm, but being composed from amorphous or nanogranular materials with crystals of 2 to 5 nm diameter embedded in a Fullerene matrix. Those compounds are generated in general by secondary or low energy electrons in layers of inorganic, organic, organometallic compounds absorbed to the sample. Those are converted into nanogranular materials by the electron beam following chemical and physical laws, as given by 'Mother Nature'. Metals and amorphous mixtures of chemical compounds from metals are normal resistors, which can carry a current density J 2 . Nanogranular composites like Au/C or Pt/C with metal nanocrystals embedded in a Fullerene matrix have hopping conduction with 0-dimensional Eigen-value characteristics and show 'anomalous electron transport' and can carry 'Giant Current Densities' with values from > 1 MA/cm 2 to 0.1 GA/cm 2 without destruction of the materials. However the area connecting the nanogranular material with a metal with a 3-dimensional electron gas needs to be designed, that the flowing current is reduced to the current density values which the 3-D metal can support without segregation. The basis for a theoretical explanation of the phenomenon can be geometry quantization for Coulomb blockade, of electron surface orbitals around the nanocrystals, hopping conduction, and the limitation of the density of states for phonons in geometry confined non percolated granular materials with strong difference in mass and orientation. Several applications in electronics, signal generators, light sources, detectors, and solar energy harvesting are suggested. (author)

Study of electron densities of normal and neoplastic human breast tissues by Compton scattering using synchrotron radiation

Energy Technology Data Exchange (ETDEWEB)

Antoniassi, M.; Conceicao, A.L.C. [Departamento de Fisica-Faculdade de Filosofia Ciencias e Letras de Ribeirao Preto-Universidade de Sao Paulo, Ribeirao Preto, Sao Paulo (Brazil); Poletti, M.E., E-mail: poletti@ffclrp.usp.br [Departamento de Fisica-Faculdade de Filosofia Ciencias e Letras de Ribeirao Preto-Universidade de Sao Paulo, Ribeirao Preto, Sao Paulo (Brazil)

2012-07-15

Electron densities of 33 samples of normal (adipose and fibroglangular) and neoplastic (benign and malignant) human breast tissues were determined through Compton scattering data using a monochromatic synchrotron radiation source and an energy dispersive detector. The area of Compton peaks was used to determine the electron densities of the samples. Adipose tissue exhibits the lowest values of electron density whereas malignant tissue the highest. The relationship with their histology was discussed. Comparison with previous results showed differences smaller than 4%. - Highlights: Black-Right-Pointing-Pointer Electron density of normal and neoplastic breast tissues was measured using Compton scattering. Black-Right-Pointing-Pointer Monochromatic synchrotron radiation was used to obtain the Compton scattering data. Black-Right-Pointing-Pointer The area of Compton peaks was used to determine the electron densities of samples. Black-Right-Pointing-Pointer Adipose tissue shows the lowest electron density values whereas the malignant tissue the highest. Black-Right-Pointing-Pointer Comparison with previous results showed differences smaller than 4%.

Study of electron densities of normal and neoplastic human breast tissues by Compton scattering using synchrotron radiation

International Nuclear Information System (INIS)

Antoniassi, M.; Conceição, A.L.C.; Poletti, M.E.

2012-01-01

Electron densities of 33 samples of normal (adipose and fibroglangular) and neoplastic (benign and malignant) human breast tissues were determined through Compton scattering data using a monochromatic synchrotron radiation source and an energy dispersive detector. The area of Compton peaks was used to determine the electron densities of the samples. Adipose tissue exhibits the lowest values of electron density whereas malignant tissue the highest. The relationship with their histology was discussed. Comparison with previous results showed differences smaller than 4%. - Highlights: ► Electron density of normal and neoplastic breast tissues was measured using Compton scattering. ► Monochromatic synchrotron radiation was used to obtain the Compton scattering data. ► The area of Compton peaks was used to determine the electron densities of samples. ► Adipose tissue shows the lowest electron density values whereas the malignant tissue the highest. ► Comparison with previous results showed differences smaller than 4%.

Global Three-Dimensional Ionospheric Data Assimilation Model Using Ground-based GPS and Radio Occultation Total Electron Content

Science.gov (United States)

Jann-Yenq Liu, Tiger; Lin, Chi-Yen; Matsuo, Tomoko; Lin, Charles C. H.; Tsai, Ho-Fang; Chen, Chao-Yen

2017-04-01

An ionospheric data assimilation approach presented here is based on the Gauss-Markov Kalman filter with International Reference Ionosphere (IRI) as the background model and designed to assimilate the total electron content (TEC) observed from ground-based GPS receivers and space-based radio occultation (RO) of FORMOSAT-3/COSMIC (F3/C) or FORMOSAT-7/COSMIC-2 (F7/C2). The Kalman filter consists of the forecast step according to Gauss-Markov process and measurement update step. Observing System Simulation Experiments (OSSEs) show that the Gauss-Markov Kalman filter procedure can increase the accuracy of the data assimilation analysis over the procedure consisting of the measurement update step alone. Moreover, in comparing to F3/C, the dense F7/C2 RO observation can further increase the model accuracy significantly. Validating the data assimilation results with the vertical TEC in Global Ionosphere Maps and that derived from ground-based GPS measurements, as well as the ionospheric F2-peak height and electron density sounded by ionosondes is also carried out. Both the OSSE results and the observation validations confirm that the developed data assimilation model can be used to reconstruct the three-dimensional electron density in the ionosphere satisfactorily.

Applications of electron density studies in molecular and solid state science

DEFF Research Database (Denmark)

Overgaard, Jacob

2015-01-01

of electron density studies in connection with the UN declared International Year of Crystallography in 2014. In addition, a number of reviews on the method have very recently appeared showing that the time is ripe to look back on the achievements of the last 10 years and also to look ahead to see where...... to the technical developments driven not least by the efforts from large commercial manufacturers such as Bruker AXS and Agilent Technologies. It is also not unwarranted to claim that the electron density community is a driving force in this technological improvement as it is essential to push these instruments...

Device and method for relativistic electron beam heating of a high-density plasma to drive fast liners

International Nuclear Information System (INIS)

Thode, L.E.

1981-01-01

A device and method for relativistic electron beam heating of a high-density plasma in a small localized region are described. A relativistic electron beam generator or accelerator 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 1017 to 1020 electrons per cubic centimeter. The target gas is ionized prior to application of the electron beam by means of a laser or other preionization source to form a plasma. 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 and momentum into a small localized region of the high-density plasma target. Fast liners disposed in the high-density target plasma are explosively or ablatively driven to implosion by a heated annular plasma surrounding the fast liner which is generated by an annular relativistic electron beam. An azimuthal magnetic field produced by axial current flow in the annular plasma, causes the energy in the heated annular plasma to converge on the fast liner

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

Energy Technology Data Exchange (ETDEWEB)

Feng, Zhenbao; Yang, Bing; Lin, Yangming; Su, Dangsheng, E-mail: dssu@imr.ac.cn [Shenyang National Laboratory of Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Wenhua Road 72, Shenyang 110016 (China)

2015-12-07

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

Effects of rf power on electron density and temperature, neutral temperature, and Te fluctuations in an inductively coupled plasma

International Nuclear Information System (INIS)

Camparo, James; Fathi, Gilda

2009-01-01

Atomic clocks that fly on global-navigation satellites such as global positioning system (GPS) and Galileo employ light from low-temperature, inductively coupled plasmas (ICPs) for atomic signal generation and detection (i.e., alkali/noble-gas rf-discharge lamps). In this application, the performance of the atomic clock and the capabilities of the navigation system depend sensitively on the stability of the ICP's optical emission. In order to better understand the mechanisms that might lead to instability in these rf-discharge lamps, and hence the satellite atomic clocks, we studied the optical emission from a Rb/Xe ICP as a function of the rf power driving the plasma. Surprisingly, we found that the electron density in the plasma was essentially independent of increases in rf power above its nominal value (i.e., 'rf-power gain') and that the electron temperature was only a slowly varying function of rf-power gain. The primary effect of rf power was to increase the temperature of the neutrals in the plasma, which was manifested by an increase in Rb vapor density. Interestingly, we also found evidence for electron temperature fluctuations (i.e., fluctuations in the plasma's high-energy electron content). The variance of these fluctuations scaled inversely with the plasma's mean electron temperature and was consistent with a simple model that assumed that the total electron density in the discharge was independent of rf power. Taken as a whole, our results indicate that the electrons in alkali/noble-gas ICPs are little affected by slight changes in rf power and that the primary effect of such changes is to heat the plasma's neutral species.

Density effects on electronic configurations in dense plasmas

Science.gov (United States)

Faussurier, Gérald; Blancard, Christophe

2018-02-01

We present a quantum mechanical model to describe the density effects on electronic configurations inside a plasma environment. Two different approaches are given by starting from a quantum average-atom model. Illustrations are shown for an aluminum plasma in local thermodynamic equilibrium at solid density and at a temperature of 100 eV and in the thermodynamic conditions of a recent experiment designed to characterize the effects of the ionization potential depression treatment. Our approach compares well with experiment and is consistent in that case with the approach of Stewart and Pyatt to describe the ionization potential depression rather than with the method of Ecker and Kröll.

Molecular surface mesh generation by filtering electron density map.

Science.gov (United States)

Giard, Joachim; Macq, Benoît

2010-01-01

Bioinformatics applied to macromolecules are now widely spread and in continuous expansion. In this context, representing external molecular surface such as the Van der Waals Surface or the Solvent Excluded Surface can be useful for several applications. We propose a fast and parameterizable algorithm giving good visual quality meshes representing molecular surfaces. It is obtained by isosurfacing a filtered electron density map. The density map is the result of the maximum of Gaussian functions placed around atom centers. This map is filtered by an ideal low-pass filter applied on the Fourier Transform of the density map. Applying the marching cubes algorithm on the inverse transform provides a mesh representation of the molecular surface.

Molecular Surface Mesh Generation by Filtering Electron Density Map

Directory of Open Access Journals (Sweden)

Joachim Giard

2010-01-01

Full Text Available Bioinformatics applied to macromolecules are now widely spread and in continuous expansion. In this context, representing external molecular surface such as the Van der Waals Surface or the Solvent Excluded Surface can be useful for several applications. We propose a fast and parameterizable algorithm giving good visual quality meshes representing molecular surfaces. It is obtained by isosurfacing a filtered electron density map. The density map is the result of the maximum of Gaussian functions placed around atom centers. This map is filtered by an ideal low-pass filter applied on the Fourier Transform of the density map. Applying the marching cubes algorithm on the inverse transform provides a mesh representation of the molecular surface.

A method to measure the suprathermal density distribution by electron cyclotron emission

International Nuclear Information System (INIS)

Tutter, M.

1986-05-01

Electron cyclotron emission spectra of suprathermal electrons in a thermal main plasma are calculated. It is shown that for direction of observation oblique to the magnetic field, which decays in direction to the receiver, one may obtain information on the spatial density distribution of the suprathermal electrons from those spectra. (orig.)

Electron Density in Atmospheric Pressure Microwave Surface Wave Discharges

International Nuclear Information System (INIS)

Jasinski, M.; Zakrzewski, Z.; Mizeraczyk, J.

2008-01-01

In this paper, we present results of the spectroscopic measurements of the electron density in a microwave surface wave sustained discharges in Ar and Ne at atmospheric pressure. The discharge in the form of a plasma column was generated inside a quartz tube cooled with a dielectric liquid. The microwave power delivered to the discharge via rectangular waveguide was applied in the range of 200-1500 W. In all investigations presented in this paper, the gas flow rate was relatively low (0.5 l/min), so the plasma column was generated in the form of a single filament, and the lengths of the upstream and downstream plasma columns were almost the same. The electron density in the plasma columns was determined using the method based on the Stark broadening of H β spectral line, including plasma region inside the waveguide which was not investigated earlier

Spherical electron momentum density distribution and Bayesian analysis of the renormalization parameter in Li metal

International Nuclear Information System (INIS)

Dobrzynski, Ludwik

2000-01-01

The Bayesian analysis of the spherical part of the electron momentum density was carried out with the goal of finding the best estimation of the spherically averaged renormalization parameter, z , quantifying the discontinuity in the electron momentum density distribution in Li metal. Three models parametrizing the electron momentum density were considered and nuisance parameters integrated out. The analysis show that the most likely value of z following from the data of Sakurai et al is in the range of 0.45-0.50, while 0.55 is obtained for the data of Schuelke et al . In the maximum entropy reconstruction of the spherical part of the electron momentum density three different algorithms were used. It is shown that all of them produce essentially the same results. The paper shows that the accurate Compton scattering experiments are capable of bringing information on this very important Fermiological aspect of the electron gas in a metal. (author)

Electron density profiles in the background of LF absorption during Forbush-decrease and PSE

International Nuclear Information System (INIS)

Satori, G.

1989-01-01

Based on the simulation of different Forbush decrease and particle precipitation effects in the D region, electron density profiles in the mid-latitudes the ionospheric absorption of low frequency (LF) radio waves was determined. The absorption variations at different frequenceis are strongly affected by the shape of the electron density profile. A structure appears which sometimes resembles the letter S (in a sloping form). Both the height (around 70 to 72 km) and the depth of the local minimum in the electron density contribute to the computed absorption changes of various degree at different frequencies. In this way several observed special absorption events can be interpreted

Effects of the light beam bending on the interferometric electron density measurements

International Nuclear Information System (INIS)

Matsumoto, Y.; Koyama, K.; Tanimoto, M.; Sugiura, M.

1980-01-01

In the measurements of plasma density profile with laser interferometers, the maximum relative errors due to the deflection of laser light caused by steep gradients of the electron density are analytically evaluated. As an example the errors in the measurements of density profile of a plasma focus by using a UV-N 2 laser are estimated. (author)

Electron density and plasma waves in mid-latitude sporadic-E layer observed during the SEEK-2 campaign

Directory of Open Access Journals (Sweden)

M. Wakabayashi

2005-10-01

Full Text Available The SEEK-2 campaign was carried out over Kyushu Island in Japan on 3 August 2002, by using the two sounding rockets of S310-31 and S310-32. This campaign was planned to elucidate generation mechanisms of Quasi-Periodic Echoes (QPEs associated with mid-latitude sporadic-E (Es layers. Electron number densities were successfully measured in the Es layers by using the impedance probe on board two rockets. The plasma waves in the VLF and ELF ranges were also observed on board the S310-32 rocket. Results of electron density measurement showed that there were one or two major peaks in the Es layers along the rockets' trajectories near the altitude of about 10km. There were some smaller peaks associated with the main Es layers in the altitude range from 90 to 120 km. These density peaks were distributed in a very large extent during the SEEK-2 campaign. The Es layer structure is also measured by using the Fixed Bias Probe (FBP, which has a high spatial resolution of several meters (the impedance probe has an altitude resolution of about 400 m. The comparison with the total electron content (TEC measured by the Dual Band Beacon revealed that the Es layer was also modulated in the horizontal direction with the scale size of 30–40 km. It was shown that the QP echoes observed by the ground-based coherent radar come from the major density peak of the Es layer. The plasma wave instrument detected the enhancement of VLF and ELF plasma waves associated with the operation of the TMA release, and also with the passage of the Es layers. Keywords. Ionosphere (Ionospheric irregularities; Midlatitude ionosphere; Plasma temeperature and density

Detection of an electron beam in a high density plasma via an electrostatic probe

Science.gov (United States)

Majeski, Stephen; Yoo, Jongsoo; Zweben, Stewart; Yamada, Masaaki; Ji, Hantao

2017-10-01

The perturbation in floating potential by an electron beam is detected by a 1D floating potential probe array to evaluate the use of an electron beam for magnetic field line mapping in the Magnetic Reconnection Experiment (MRX) plasma. The MRX plasma is relatively high density (1013 cm-3) and low temperature (5 eV). Beam electrons are emitted from a tungsten filament and are accelerated by a 200 V potential across the sheath. They stream along the magnetic field lines towards the probe array. The spatial electron beam density profile is assumed to be a Gaussian along the radial axis of MRX and the effective beam width is determined from the radial profile of the floating potential. The magnitude of the perturbation is in agreement with theoretical predictions and the location of the perturbation is also in agreement with field line mapping. In addition, no significant broadening of the electron beam is observed after propagation for tens of centimeters through the high density plasma. These results demonstrate that this method of field line mapping is, in principle, feasible in high density plasmas. This work is supported by the DOE Contract No. DE-AC0209CH11466.

Electron density profile measurements by microwave reflectometry on Tore Supra

International Nuclear Information System (INIS)

Clairet, F.; Paume, M.; Chareau, J.M.

1995-01-01

A proposal is presented developing reflectometry diagnostic for electron density profile measurements as routine diagnostic without manual intervention as achieved at JET. Since density fluctuations seriously perturb the reflected signal and the measurement of the group delay, a method is described to overcome the irrelevant results with the help of an adaptive filtering technique. Accurate profiles are estimated for about 70% of the shots. (author) 3 refs.; 6 figs

Reassessment of the electron density in Cu2O using γ-ray diffraction.

Science.gov (United States)

Jauch, Wolfgang; Reehuis, Manfred

2014-12-01

The electron-density distribution in Cu2O has been critically reexamined to test controversial conclusions from earlier experimental and theoretical studies. The electron density is derived via multipole refinement of high-quality single-crystal diffraction data, collected at room temperature with 316.5 keV gamma radiation. Four γ-lines in the energy range 200-600 keV have been used to extrapolate extinction-free low-order structure factors. The remaining extinction corrections refine to a crystal mosaicity identical to the observed one. There is no support for anharmonic contributions to the thermal parameters. Important features of the derived electron density are (i) a partially filled d_{z^2} orbital, (ii) an incomplete ionization of Cu and O, and (iii) no interstitial Cu-Cu charge pileup, thereby refuting the covalent bonding hypothesis.

Atomic Emission Spectra Diagnosis and Electron Density Measurement of Semiconductor Bridge (SCB) Plasma

International Nuclear Information System (INIS)

Feng Hongyan; Zhu Shunguan; Zhang Lin; Wan Xiaoxia; Li Yan; Shen Ruiqi

2010-01-01

Emission spectra of a semiconductor bridge (SCB) plasma in a visible range was studied in air. The electron density was measured in a conventional way from the broadening of the A1 I 394.4 nm Stark width. Based on the Saha equation, a system for recording the intensity of Si I 390.5 nm and Si II 413.1 nm was designed. With this technique, the SCB plasma electron density was measured well and accurately. Moreover, the electron density distribution Vs time was acquired from one SCB discharge. The individual result from the broadening of the Al I 394.4 nm Stark width and Saha equation was all in the range of 10 15 cm -3 to 10 16 cm -3 . Finally the presumption of the local thermodynamic equilibrium (LTE) condition was validated.

Electron density values of various human tissues: in vitro Compton scatter measurements and calculated ranges

International Nuclear Information System (INIS)

Shrimpton, P.C.

1981-01-01

Accurate direct measurements of electron density have been performed on specimens from 10 different tissue types of the human body, representing the major organs, using a Compton scatter technique. As a supplement to these experimental values, calculations have been carried out to determine the electron densities expected for these tissue types. The densities observed are in good agreement with the broad ranges deduced from the basic data previously published. The results of both the in vitro sample measurements and the approximate calculations indicate that the electron density of most normal healthy soft tissue can be expected to fall within the fairly restricted range of +- 5% around 3.4 X 10 23 electrons per cm 3 . The obvious exception to this generalisation is the result for lung tissue, which falls considerably below this range owing to the high air content inherent in its construction. In view of such an overall limited variation with little difference between tissues, it would appear that electron density alone is likely to be a rather poor clinical parameter for tissue analysis, with high accuracy and precision being essential in any in vivo Compton measurements for imaging or diagnosis on specific organs. (author)

Thomson scattering on argon surfatron plasmas at intermediate pressures: Axial profiles of the electron temperature and electron density

International Nuclear Information System (INIS)

Palomares, J.M.; Iordanova, E.; Veldhuizen, E.M. van; Baede, L.; Gamero, A.; Sola, A.; Mullen, J.J.A.M. van der

2010-01-01

The axial profiles of the electron density n e and electron temperature T e of argon surfatron plasmas in the pressure range of 6-20 mbar and microwave power between 32 and 82 W have been determined using Thomson Scattering of laser irradiation at 532 nm. For the electron density and temperature we found values in the ranges 5 x 10 18 e 19 m -3 and 1.1 e e and T e down to 8% and 3%, respectively. It is found that n e decreases in the direction of the wave propagation with a slope that is nearly constant. The slope depends on the pressure but not on the power. Just as predicted by theories we see that increasing the power leads to longer plasma columns. However, the plasmas are shorter than what is predicted by theories based on the assumption that for the plasma-wave interaction electron-atom collisions are of minor importance (the so-called collisionless regime). The plasma vanishes long before the critical value of the electron density is reached. In contrast to what is predicted by the positive column model it is found that T e does not stay constant along the column, but monotonically increases with the distance from the microwave launcher. Increases of more than 50% over 30 cm were found.

Electron Density Calibration for Radiotherapy Treatment Planning

International Nuclear Information System (INIS)

Herrera-Martinez, F.; Rodriguez-Villafuerte, M.; Martinez-Davalos, A.; Ruiz-Trejo, C.; Celis-Lopez, M. A.; Larraga-Gutierrez, J. M.; Garcia-Garduno, A.

2006-01-01

Computed tomography (CT) images are used as basic input data for most modern radiosurgery treatment planning systems (TPS). CT data not only provide anatomic information to delineate target volumes, but also allow the introduction of corrections for tissue inhomogeneities into dose calculations during the treatment planning procedure. These corrections involve the determination of a relationship between tissue electron density (ρe) and their corresponding Hounsfield Units (HU). In this work, an elemental analysis of different commercial tissue equivalent materials using Scanning Electron Microscopy was carried out to characterize their chemical composition. The tissue equivalent materials were chosen to ensure a large range of ρe to be included in the CT scanner calibration. A phantom was designed and constructed with these materials to simulate the size of a human head

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

International Nuclear Information System (INIS)

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

2017-01-01

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

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

Science.gov (United States)

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

2017-03-01

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

Dependence of radar auroral scattering cross section on the ambient electron density and the destabilizing electric field

International Nuclear Information System (INIS)

Haldoupis, C.; Nielsen, E.; Schlegel, K.

1990-01-01

By using a data set that includes simultaneous STARE and EISCAT measurements made at a common magnetic flux tube E region in the ionosphere, we investigate the dependence of relative scattering cross section of 1-meter auroral irregularities on the destabilizing E x B electron drift, or alternatively the electric field, and the E region ambient electron density. The analysis showed that both, the E field and mean electron density are the decisive factors in determining the strength of radar auroral echoes at magnetic aspect angles near perpendicularity. We have found that at instability threshold, i.e., when the E field strength is in the 15 to 20 mV/m range, the backscatter power level is affected strongly by the mean electron density. Above threshold, the wave saturation amplitudes are determined mainly by the combined action of electron drift velocity magnitude, V d , and mean electron density, N e , in a way that the scattering cross section, or the electron density fluctuation level, increases with electric field magnitude but at a rate which is larger when the ambient electron density is lower. The analysis enabled us to infer an empirical functional relationship which is capable of predicting reasonably well the intensity of STARE echoes from EISCAT E field and electron density data. In this functional relationship, the received power at threshold depends on N e 2 whereas, from threshold to perhaps more than 50 mV/m, the power increases nonlinearly with drift velocity as V d n where the exponent n is approximately proportional to N e -1/2 . The results support the Farley-Bunemann instability as the primary instability mechanism, but the existing nonlinear treatment of the theory, which includes wave-induced cross field diffusion, cannot account for the observed role of electron density in the saturation of irregularity amplitudes

Pseudoclassical approach to electron and ion density correlations in simple liquid metals

International Nuclear Information System (INIS)

Vericat, F.; Tosi, M.P.; Pastore, G.

1986-04-01

Electron-electron and electron-ion structural correlations in simple liquid metals are treated by using effective pair potentials to incorporate quantal effects into a pseudoclassical description of the electron fluid. An effective pair potential between simultaneous electron density fluctuations is first constructed from known properties of the degenerate jellium model, which are the plasmon sum rule, the Kimball-Niklasson relation and Yasuhara's values of the electron pair distribution function at contact. An analytic expression is thereby obtained in the Debye-Hueckel approximation for the electronic structure factor in jellium over a range of density appropriate to metals, with results which compare favourably with those of fully quantal evaluations. A simple pseudoclassical model is then set up for a liquid metal: this involves a model of charged hard spheres for the ion-ion potential and an empty core model for the electron-ion potential, the Coulombic tails being scaled as required by the relation between the long-wavelength partial structure factors and the isothermal compressibility of the metal. The model is solved analytically by a pseudoclassical linear response treatment of the electron-ion coupling and numerical results are reported for partial structure factors in liquid sodium and liquid beryllium. Contact is made for the latter system with data on the electron-electron structure factor in the crystal from inelastic X-ray scattering experiments of Eisenberger, Marra and Brown. (author)

Density functional theory study of structure, electronic and magnetic ...

Indian Academy of Sciences (India)

ABHIJIT DUTTA

2018-01-30

Jan 30, 2018 ... magnetic properties of non-metal (Group 13) doped stable. Rhn(n = 2−8) ... Deformed electron density was found to be higher in the case of Rh5B, Rh4Al, Rh7Al and ...... systems: Modeling of surface alloys and alloy surfaces.

Behavior of the bottomside electron density profile over Pruhonice

Czech Academy of Sciences Publication Activity Database

Mosert, M.; Burešová, Dalia; Ezquer, R.; Mansilla, G.

2004-01-01

Roč. 34, č. 9 (2004), s. 1982-1989 ISSN 0273-1177 R&D Projects: GA AV ČR IAA3042102 Institutional research plan: CEZ:AV0Z3042911 Keywords : Electron density profiles * Variability Subject RIV: DG - Athmosphere Sciences, Meteorology Impact factor: 0.548, year: 2004

The localization-delocalization matrix and the electron-density-weighted connectivity matrix of a finite graphene nanoribbon reconstructed from kernel fragments.

Science.gov (United States)

Timm, Matthew J; Matta, Chérif F; Massa, Lou; Huang, Lulu

2014-11-26

Bader's quantum theory of atoms in molecules (QTAIM) and chemical graph theory, merged in the localization-delocalization matrices (LDMs) and the electron-density-weighted connectivity matrices (EDWCM), are shown to benefit in computational speed from the kernel energy method (KEM). The LDM and EDWCM quantum chemical graph matrices of a 66-atom C46H20 hydrogen-terminated armchair graphene nanoribbon, in 14 (2×7) rings of C2v symmetry, are accurately reconstructed from kernel fragments. (This includes the full sets of electron densities at 84 bond critical points and 19 ring critical points, and the full sets of 66 localization and 4290 delocalization indices (LIs and DIs).) The average absolute deviations between KEM and directly calculated atomic electron populations, obtained from the sum of the LIs and half of the DIs of an atom, are 0.0012 ± 0.0018 e(-) (∼0.02 ± 0.03%) for carbon atoms and 0.0007 ± 0.0003 e(-) (∼0.01 ± 0.01%) for hydrogen atoms. The integration errors in the total electron population (296 electrons) are +0.0003 e(-) for the direct calculation (+0.0001%) and +0.0022 e(-) for KEM (+0.0007%). The accuracy of the KEM matrix elements is, thus, probably of the order of magnitude of the combined precision of the electronic structure calculation and the atomic integrations. KEM appears capable of delivering not only the total energies with chemical accuracy (which is well documented) but also local and nonlocal properties accurately, including the DIs between the fragments (crossing fragmentation lines). Matrices of the intact ribbon, the kernels, the KEM-reconstructed ribbon, and errors are available as Supporting Information .

Electron and Negative Ion Densities in C2F6 and CHF3 Containing Inductively Coupled Discharges

International Nuclear Information System (INIS)

HEBNER, GREGORY A.; MILLER, PAUL A.

1999-01-01

Electron and negative ion densities have been measured in inductively coupled discharges containing C 2 F 6 and CHF 3 . Line integrated electron density was determined using a microwave interferometer, negative ion densities were inferred using laser photodetachment spectroscopy, and electron temperature was determined using a Langmuir probe. For the range of induction powers, pressures and bias power investigated, the electron density peaked at 9 x 10 12 cm -2 (line-integrated) or approximately 9 x 10 11 cm -3 . The negative ion density peaked at approximately 1.3 x 10 11 cm -3 . A maximum in the negative ion density as a function of induction coil power was observed. The maximum is attributed to a power dependent change in the density of one or more of the potential negative ion precursor species since the electron temperature did not depend strongly on power. The variation of photodetachment with laser wavelength indicated that the dominant negative ion was F - . Measurement of the decay of the negative ion density in the afterglow of a pulse modulated discharge was used to determine the ion-ion recombination rate for CF 4 , C 2 F 6 and CHF 3 discharges

Quantum electrodynamical time-dependent density functional theory for many-electron systems on a lattice

Science.gov (United States)

Farzanehpour, Mehdi; Tokatly, Ilya; Nano-Bio Spectroscopy Group; ETSF Scientific Development Centre Team

2015-03-01

We present a rigorous formulation of the time-dependent density functional theory for interacting lattice electrons strongly coupled to cavity photons. We start with an example of one particle on a Hubbard dimer coupled to a single photonic mode, which is equivalent to the single mode spin-boson model or the quantum Rabi model. For this system we prove that the electron-photon wave function is a unique functional of the electronic density and the expectation value of the photonic coordinate, provided the initial state and the density satisfy a set of well defined conditions. Then we generalize the formalism to many interacting electrons on a lattice coupled to multiple photonic modes and prove the general mapping theorem. We also show that for a system evolving from the ground state of a lattice Hamiltonian any density with a continuous second time derivative is locally v-representable. Spanish Ministry of Economy and Competitiveness (Grant No. FIS2013-46159-C3-1-P), Grupos Consolidados UPV/EHU del Gobierno Vasco (Grant No. IT578-13), COST Actions CM1204 (XLIC) and MP1306 (EUSpec).

Electron density distribution in Si and Ge using multipole, maximum ...

Indian Academy of Sciences (India)

Si and Ge has been studied using multipole, maximum entropy method (MEM) and ... and electron density distribution using the currently available versatile ..... data should be subjected to maximum possible utility for the characterization of.

Electronic and optical properties of nanocrystalline WO3 thin films studied by optical spectroscopy and density functional calculations

International Nuclear Information System (INIS)

Johansson, Malin B; Niklasson, Gunnar A; Österlund, Lars; Baldissera, Gustavo; Persson, Clas; Valyukh, Iryna; Arwin, Hans

2013-01-01

The optical and electronic properties of nanocrystalline WO 3 thin films prepared by reactive dc magnetron sputtering at different total pressures (P tot ) were studied by optical spectroscopy and density functional theory (DFT) calculations. Monoclinic films prepared at low P tot show absorption in the near infrared due to polarons, which is attributed to a strained film structure. Analysis of the optical data yields band-gap energies E g ≈ 3.1 eV, which increase with increasing P tot by 0.1 eV, and correlate with the structural modifications of the films. The electronic structures of triclinic δ-WO 3 , and monoclinic γ- and ε-WO 3 were calculated using the Green function with screened Coulomb interaction (GW approach), and the local density approximation. The δ-WO 3 and γ-WO 3 phases are found to have very similar electronic properties, with weak dispersion of the valence and conduction bands, consistent with a direct band-gap. Analysis of the joint density of states shows that the optical absorption around the band edge is composed of contributions from forbidden transitions (>3 eV) and allowed transitions (>3.8 eV). The calculations show that E g in ε-WO 3 is higher than in the δ-WO 3 and γ-WO 3 phases, which provides an explanation for the P tot dependence of the optical data. (paper)

Electronic and optical properties of nanocrystalline WO3 thin films studied by optical spectroscopy and density functional calculations

Science.gov (United States)

Johansson, Malin B.; Baldissera, Gustavo; Valyukh, Iryna; Persson, Clas; Arwin, Hans; Niklasson, Gunnar A.; Österlund, Lars

2013-05-01

The optical and electronic properties of nanocrystalline WO3 thin films prepared by reactive dc magnetron sputtering at different total pressures (Ptot) were studied by optical spectroscopy and density functional theory (DFT) calculations. Monoclinic films prepared at low Ptot show absorption in the near infrared due to polarons, which is attributed to a strained film structure. Analysis of the optical data yields band-gap energies Eg ≈ 3.1 eV, which increase with increasing Ptot by 0.1 eV, and correlate with the structural modifications of the films. The electronic structures of triclinic δ-WO3, and monoclinic γ- and ε-WO3 were calculated using the Green function with screened Coulomb interaction (GW approach), and the local density approximation. The δ-WO3 and γ-WO3 phases are found to have very similar electronic properties, with weak dispersion of the valence and conduction bands, consistent with a direct band-gap. Analysis of the joint density of states shows that the optical absorption around the band edge is composed of contributions from forbidden transitions (>3 eV) and allowed transitions (>3.8 eV). The calculations show that Eg in ε-WO3 is higher than in the δ-WO3 and γ-WO3 phases, which provides an explanation for the Ptot dependence of the optical data.

Calculation of electronic stopping power along glancing swift heavy ion tracks in perovskites using ab initio electron density data

Energy Technology Data Exchange (ETDEWEB)

Osmani, O; Duvenbeck, A; Akcoeltekin, E; Meyer, R; Schleberger, M [Department of Physics, University of Duisburg-Essen, D-47048 Duisburg (Germany); Lebius, H [CIMAP, blvd Henri Becquerel, 14070 Caen (France)], E-mail: marika.schleberger@uni-due.de

2008-08-06

In recent experiments the irradiation of insulators of perovskite type with swift (E{approx}100 MeV) heavy ions under glancing incidence has been shown to provide a unique means to generate periodically arranged nanodots at the surface. The physical origin of these patterns has been suggested as stemming from a highly anisotropic electron density distribution within the bulk. In order to show the relevance of the electron density distribution of the target we present a model calculation for the system Xe{sup 23+} {yields} SrTiO{sub 3} that is known to produce the aforementioned surface modifications. On the basis of the Lindhard model of electronic stopping, we employ highly-resolved ab initio electron density data to describe the conversion of kinetic energy into excitation energy along the ion track. The primary particle dynamics are obtained via integration of the Newtonian equations of motion that are governed by a space- and time-dependent frictional force originating from Lindhard stopping. The analysis of the local electronic stopping power along the ion track reveals a pronounced periodic structure. The periodicity length varies strongly with the particular choice of the polar angle of incidence and is directly correlated to the experimentally observed formation of periodic nanodots at insulator surfaces.

Solitary electron density waves in a magnetized, plasma-loaded waveguide

International Nuclear Information System (INIS)

Lynov, J.-P.

1980-08-01

Investigations of two different types of nonlinear, solitary electron density waves in a magnetized, plasma-loaded waveguide are presented. One of the wavetypes is a localized, compressional pulse identified as a Trivelpiece-Gould soliton. The modification of this soliton by the resonant electrons is studied theoretically, by direct numerical solution of the model equation, experimentally, and by numerical simulation of the experiment. The other wave is a localized, rarefactive pulse called an electron hole. It is a positive pulse consisting of a large number of trapped electrons and is a purely kinetic phenomenon. A simple waterbag model for the electron hole is derived and compared with the results from the experiment and the numerical simulation. Finally, interactions between the solitary waves are investigated. (Auth.)

Generalized expressions for variations in critical frequencies, electron densities and altitudes of the ionospheric layers

International Nuclear Information System (INIS)

Njau, E.C.

1990-12-01

We develop generalized mathematical expressions for time and space variations of peak electron densities of the ionospheric D, E, F1 and F2 layers as well as corresponding variations in the altitudes of the electron density peaks in each of these layers. On the basis of the Chapman characteristics of the E and F1 layers and other techniques, a generalized expression is developed for the electron density height profile of each of the four ionospheric layers. Consequently a generalized mathematical expression is developed for the entire electron density height profile of the whole ionosphere as a function of time, latitude and longitude. The latter mathematical expression may be used to compute or predict ionospheric parameters associated with ratio and satellite communications. Finally we show that some well documented equations on ionospheric parameters are simplified (or approximated) versions of some of our mathematical expressions. (author). 29 refs

Measuring GNSS ionospheric total electron content at Concordia, and application to L-band radiometers

Directory of Open Access Journals (Sweden)

Vincenzo Romano

2013-06-01

Full Text Available In the framework of the project BIS - Bipolar Ionospheric Scintillation and Total Electron Content Monitoring, the ISACCO-DMC0 and ISACCO-DMC1 permanent monitoring stations were installed in 2008. The principal scope of the stations is to measure the ionospheric total electron content (TEC and to monitor the ionospheric scintillations, using high-sampling-frequency global positioning system (GPS ionospheric scintillation and TEC monitor (GISTM receivers. The disturbances that the ionosphere can induce on the electromagnetic signals emitted by the Global Navigation Satellite System constellations are due to the presence of electron density anomalies in the ionosphere, which are particularly frequent at high latitudes, where the upper atmosphere is highly sensitive to perturbations coming from outer space. With the development of present and future low-frequency space-borne microwave missions (e.g., Soil Moisture and Ocean Salinity [SMOS], Aquarius, and Soil Moisture Active Passive missions, there is an increasing need to estimate the effects of the ionosphere on the propagation of electromagnetic waves that affects satellite measurements. As an example, how the TEC data collected at Concordia station are useful for the calibration of the European Space Agency SMOS data within the framework of an experiment promoted by the European Space Agency (known as DOMEX will be discussed. The present report shows the ability of the GISTM station to monitor ionospheric scintillation and TEC, which indicates that only the use of continuous GPS measurements can provide accurate information on TEC variability, which is necessary for continuous calibration of satellite data.

Measurements of plasma temperature and electron density in laser

Indian Academy of Sciences (India)

The temperature and electron density characterizing the plasma are measured by time-resolved spectroscopy of neutral atom and ion line emissions in the time window of 300–2000 ns. An echelle spectrograph coupled with a gated intensified charge coupled detector is used to record the plasma emissions.

The electron localization as the information content of the conditional pair density

Energy Technology Data Exchange (ETDEWEB)

Urbina, Andres S.; Torres, F. Javier [Universidad San Francisco de Quito (USFQ), Grupo de Química Computacional y Teórica (QCT-USFQ), Departamento de Química e Ingeniería Química, Diego de Robles y Via Interoceanica, Quito 17-1200-841 (Ecuador); Universidad San Francisco de Quito (USFQ), Instituto de Simulación Computacional (ISC-USFQ), Diego de Robles y Via Interoceanica, Quito 17-1200-841 (Ecuador); Rincon, Luis, E-mail: lrincon@usfq.edu.ec, E-mail: lrincon@ula.ve [Universidad San Francisco de Quito (USFQ), Grupo de Química Computacional y Teórica (QCT-USFQ), Departamento de Química e Ingeniería Química, Diego de Robles y Via Interoceanica, Quito 17-1200-841 (Ecuador); Universidad San Francisco de Quito (USFQ), Instituto de Simulación Computacional (ISC-USFQ), Diego de Robles y Via Interoceanica, Quito 17-1200-841 (Ecuador); Departamento de Química, Facultad de Ciencias, Universidad de Los Andes (ULA), La Hechicera, Mérida-5101 (Venezuela, Bolivarian Republic of)

2016-06-28

In the present work, the information gained by an electron for “knowing” about the position of another electron with the same spin is calculated using the Kullback-Leibler divergence (D{sub KL}) between the same-spin conditional pair probability density and the marginal probability. D{sub KL} is proposed as an electron localization measurement, based on the observation that regions of the space with high information gain can be associated with strong correlated localized electrons. Taking into consideration the scaling of D{sub KL} with the number of σ-spin electrons of a system (N{sup σ}), the quantity χ = (N{sup σ} − 1) D{sub KL}f{sub cut} is introduced as a general descriptor that allows the quantification of the electron localization in the space. f{sub cut} is defined such that it goes smoothly to zero for negligible densities. χ is computed for a selection of atomic and molecular systems in order to test its capability to determine the region in space where electrons are localized. As a general conclusion, χ is able to explain the electron structure of molecules on the basis of chemical grounds with a high degree of success and to produce a clear differentiation of the localization of electrons that can be traced to the fluctuation in the average number of electrons in these regions.

Rotational total skin electron irradiation with a linear accelerator

Science.gov (United States)

Evans, Michael D.C.; Devic, Slobodan; Parker, William; Freeman, Carolyn R.; Roberge, David; Podgorsak, Ervin B.

2008-01-01

The rotational total skin electron irradiation (RTSEI) technique at our institution has undergone several developments over the past few years. Replacement of the formerly used linear accelerator has prompted many modifications to the previous technique. With the current technique, the patient is treated with a single large field while standing on a rotating platform, at a source‐to‐surface distance of 380 cm. The electron field is produced by a Varian 21EX linear accelerator using the commercially available 6 MeV high dose rate total skin electron mode, along with a custom‐built flattening filter. Ionization chambers, radiochromic film, and MOSFET (metal oxide semiconductor field effect transistor) detectors have been used to determine the dosimetric properties of this technique. Measurements investigating the stationary beam properties, the effects of full rotation, and the dose distributions to a humanoid phantom are reported. The current treatment technique and dose regimen are also described. PACS numbers: 87.55.ne, 87.53.Hv, 87.53.Mr

Development of a methodology for deriving Plasmaspheric Total Electron Content from In-Situ electron density measurements in highly eccentric equatorial orbits

Science.gov (United States)

Sadhique, Aliyuthuman; Buckley, Andrew; Gough, Paul; Sussex Space Science Centre Team

2017-10-01

The contribution of the Upper Plasmasphere (defined as the altitudes above semi-synchronous orbit height to the Plasmapause height) to the TEC has been and continues to be un-quantified. The PEACE instrument in the Chinese - ESA Double Star TC1 satellite, the mission's orbit's high eccentricity, low perigee, high apogee and the resulting smaller incident angle while in the above altitude range provide the ideal geometric opportunity to build a methodology and to utilize its empirical in-situ electron density measurements to determine the Upper Plasmaspheric TEC component. Furthermore, the variation of the Inclination Angle of TC1 makes it a suitable equatorial mission confined to the Near-Equatorial region, ie 200 - 250 on either sides of the magnetic equator. As the most pronounced absolute TEC values and variations are within this region, it offers an excellent opportunity to build a Upper Plasmaspheric TEC database. This research generates such, first-ever database along its orbital path, using a methodology of approximation equating arcs of the orbits to straight-line TEC Bars, utilizing complex mathematics, also enabling the determination of the whole Plasmaspheric TEC from any eccentric orbital probe. Presented the paper in 15th International Workshop on Technical and Scientific Aspects of MST radar (MST15/iMST2)'' and ``18th EISCAT Symposium (EISCAT18)'' in Tokyo, Japan and The Royal Astronomical Society National Astronomy Meeting 2017.

Density-functional theory based on the electron distribution on the energy coordinate

Science.gov (United States)

Takahashi, Hideaki

2018-03-01

We developed an electronic density functional theory utilizing a novel electron distribution n(ɛ) as a basic variable to compute ground state energy of a system. n(ɛ) is obtained by projecting the electron density n({\\boldsymbol{r}}) defined on the space coordinate {\\boldsymbol{r}} onto the energy coordinate ɛ specified with the external potential {\\upsilon }ext}({\\boldsymbol{r}}) of interest. It was demonstrated that the Kohn-Sham equation can also be formulated with the exchange-correlation functional E xc[n(ɛ)] that employs the density n(ɛ) as an argument. It turned out an exchange functional proposed in our preliminary development suffices to describe properly the potential energies of several types of chemical bonds with comparable accuracies to the corresponding functional based on local density approximation. As a remarkable feature of the distribution n(ɛ) it inherently involves the spatially non-local information of the exchange hole at the bond dissociation limit in contrast to conventional approximate functionals. By taking advantage of this property we also developed a prototype of the static correlation functional E sc including no empirical parameters, which showed marked improvements in describing the dissociations of covalent bonds in {{{H}}}2,{{{C}}}2{{{H}}}4 and {CH}}4 molecules.

NATO Advanced Study Institute on Electron and Magnetization Densities in Molecules and Crystals

CERN Document Server

1980-01-01

The interest of describing the ground state properties of a system in terms of one electron density (or its two spin components) is obvious, in particular due to the simple physical significance of this function. Recent experimental progress in diffraction made the measurement of charge and magnetization densities in crystalline solids possible, with an accuracy at least as good as theoretical accuracy. Theoretical developments of the many-body problem have proved the extreme importance of the one electron density function and presently, accurate methods of band structure determination become available. Parallel to the diffraction techniques, other domains of research (inelastic scattering, resonance, molecular spectroscopy) deal with quantities directly related to the one particle density. But the two types of studies do not interfere enough and one should obviously gain more information by interpreting all experiments that are related to the density together. It became necessary to have an International Sch...

Quantum-Chemical Electron Densities of Proteins and of Selected Protein Sites from Subsystem Density Functional Theory

NARCIS (Netherlands)

Kiewisch, K.; Jacob, C.R.; Visscher, L.

2013-01-01

The ability to calculate accurate electron densities of full proteins or of selected sites in proteins is a prerequisite for a fully quantum-mechanical calculation of protein-protein and protein-ligand interaction energies. Quantum-chemical subsystem methods capable of treating proteins and other

The electron density and temperature distributions predicted by bow shock models of Herbig-Haro objects

International Nuclear Information System (INIS)

Noriega-Crespo, A.; Bohm, K.H.; Raga, A.C.

1990-01-01

The observable spatial electron density and temperature distributions for series of simple bow shock models, which are of special interest in the study of Herbig-Haro (H-H) objects are computed. The spatial electron density and temperature distributions are derived from forbidden line ratios. It should be possible to use these results to recognize whether an observed electron density or temperature distribution can be attributed to a bow shock, as is the case in some Herbig-Haro objects. As an example, the empirical and predicted distributions for H-H 1 are compared. The predicted electron temperature distributions give the correct temperature range and they show very good diagnostic possibilities if the forbidden O III (4959 + 5007)/4363 wavelength ratio is used. 44 refs

Two color interferometric electron density measurement in an axially blown arc

Science.gov (United States)

Stoller, Patrick; Carstensen, Jan; Galletti, Bernardo; Doiron, Charles; Sokolov, Alexey; Salzmann, René; Simon, Sandor; Jabs, Philipp

2016-09-01

High voltage circuit breakers protect the power grid by interrupting the current in case of a short circuit. To do so an arc is ignited between two contacts as they separate; transonic gas flow is used to cool and ultimately extinguish the arc at a current-zero crossing of the alternating current. A detailed understanding of the arc interruption process is needed to improve circuit breaker design. The conductivity of the partially ionized gas remaining after the current-zero crossing, a key parameter in determining whether the arc will be interrupted or not, is a function of the electron density. The electron density, in turn, is a function of the detailed dynamics of the arc cooling process, which does not necessarily occur under local thermodynamic equilibrium (LTE) conditions. In this work, we measure the spatially resolved line-integrated index of refraction in a near-current-zero arc stabilized in an axial flow of synthetic air with two nanosecond pulsed lasers at wavelengths of 532 nm and 671 nm. Generating a stable, cylindrically symmetric arc enables us to determine the three-dimensional index of refraction distribution using Abel inversion. Due to the wavelength dependence of the component of the index of refraction related to the free electrons, the information at two different wavelengths can be used to determine the electron density. This information allows us to determine how important it is to take into account non-equilibrium effects for accurate modeling of the physics of decaying arcs.

Measurement of electron density and electron temperature of a cascaded arc plasma using laser Thomson scattering compared to an optical emission spectroscopic approach

Science.gov (United States)

Yong, WANG; Cong, LI; Jielin, SHI; Xingwei, WU; Hongbin, DING

2017-11-01

As advanced linear plasma sources, cascaded arc plasma devices have been used to generate steady plasma with high electron density, high particle flux and low electron temperature. To measure electron density and electron temperature of the plasma device accurately, a laser Thomson scattering (LTS) system, which is generally recognized as the most precise plasma diagnostic method, has been established in our lab in Dalian University of Technology. The electron density has been measured successfully in the region of 4.5 × 1019 m-3 to 7.1 × 1020 m-3 and electron temperature in the region of 0.18 eV to 0.58 eV. For comparison, an optical emission spectroscopy (OES) system was established as well. The results showed that the electron excitation temperature (configuration temperature) measured by OES is significantly higher than the electron temperature (kinetic electron temperature) measured by LTS by up to 40% in the given discharge conditions. The results indicate that the cascaded arc plasma is recombining plasma and it is not in local thermodynamic equilibrium (LTE). This leads to significant error using OES when characterizing the electron temperature in a non-LTE plasma.

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

DEFF Research Database (Denmark)

Hedegård, Erik D.; Knecht, Stefan; Kielberg, Jesper Skau

2015-01-01

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

Tsallis non-extensive statistical mechanics in the ionospheric detrended total electron content during quiet and storm periods

Science.gov (United States)

Ogunsua, B. O.; Laoye, J. A.

2018-05-01

In this paper, the Tsallis non-extensive q-statistics in ionospheric dynamics was investigated using the total electron content (TEC) obtained from two Global Positioning System (GPS) receiver stations. This investigation was carried out considering the geomagnetically quiet and storm periods. The micro density variation of the ionospheric total electron content was extracted from the TEC data by method of detrending. The detrended total electron content, which represent the variation in the internal dynamics of the system was further analyzed using for non-extensive statistical mechanics using the q-Gaussian methods. Our results reveals that for all the analyzed data sets the Tsallis Gaussian probability distribution (q-Gaussian) with value q > 1 were obtained. It was observed that there is no distinct difference in pattern between the values of qquiet and qstorm. However the values of q varies with geophysical conditions and possibly with local dynamics for the two stations. Also observed are the asymmetric pattern of the q-Gaussian and a highly significant level of correlation for the q-index values obtained for the storm periods compared to the quiet periods between the two GPS receiver stations where the TEC was measured. The factors responsible for this variation can be mostly attributed to the varying mechanisms resulting in the self-reorganization of the system dynamics during the storm periods. The result shows the existence of long range correlation for both quiet and storm periods for the two stations.

Electronic zero-point oscillations in the strong-interaction limit of density functional theory

NARCIS (Netherlands)

Gori Giorgi, P.; Vignale, G.; Seidl, M.

2009-01-01

The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in terms of the change in the expectation of the electron-electron repulsion operator when, in the many-electron Hamiltonian, this same operator is multiplied by a real parameter λ varying between 0

Electron density measurement in an evolving plasma. Experimental devices

International Nuclear Information System (INIS)

Consoli, Terenzio; Dagai, Michel

1960-01-01

The experimental devices described here allow the electron density measurements in the 10 16 e/m 3 to 10 20 e/m 3 interval. Reprint of a paper published in Comptes rendus des seances de l'Academie des Sciences, t. 250, p. 1223-1225, sitting of 15 February 1960 [fr

Electron density measurements on the plasma focus

International Nuclear Information System (INIS)

Rueckle, B.

1976-01-01

The paper presents a determination of the maximum electron density in a plasma focus, produced with the NESSI experimental setup, by the method of laser beam deflection. For each discharge a time-resolved measurement was performed at four different places. Neutron efficiency as well as the time of the initial X-ray emission was registrated. The principle and the economic aspects of the beam deflection method are presented in detail. The experimental findings and the resulting knowledge of the neutron efficiency are discussed. (GG) [de

Spectral density of electron concentration fluctuations in ionospheric D region

International Nuclear Information System (INIS)

Martynenko, S.I.

1989-01-01

Expression for spectral density of electron concentration fluctuations in D-region with regard to the effect of ionization-recombination proceses and negative ions is obtained in terms of atmospheric turbulence model which obeys Kolmogorov-Obukhov 2/3 law

Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

Science.gov (United States)

Jones, D. B.; da Costa, R. F.; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; Blanco, F.; García, G.; Brunger, M. J.

2016-04-01

We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20-250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron-furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.

Automatic atlas based electron density and structure contouring for MRI-based prostate radiation therapy on the cloud

International Nuclear Information System (INIS)

Dowling, J A; Burdett, N; Chandra, S; Rivest-Hénault, D; Ghose, S; Salvado, O; Fripp, J; Greer, P B; Sun, J; Parker, J; Pichler, P; Stanwell, P

2014-01-01

Our group have been developing methods for MRI-alone prostate cancer radiation therapy treatment planning. To assist with clinical validation of the workflow we are investigating a cloud platform solution for research purposes. Benefits of cloud computing can include increased scalability, performance and extensibility while reducing total cost of ownership. In this paper we demonstrate the generation of DICOM-RT directories containing an automatic average atlas based electron density image and fast pelvic organ contouring from whole pelvis MR scans.

Automatic Atlas Based Electron Density and Structure Contouring for MRI-based Prostate Radiation Therapy on the Cloud

Science.gov (United States)

Dowling, J. A.; Burdett, N.; Greer, P. B.; Sun, J.; Parker, J.; Pichler, P.; Stanwell, P.; Chandra, S.; Rivest-Hénault, D.; Ghose, S.; Salvado, O.; Fripp, J.

2014-03-01

Our group have been developing methods for MRI-alone prostate cancer radiation therapy treatment planning. To assist with clinical validation of the workflow we are investigating a cloud platform solution for research purposes. Benefits of cloud computing can include increased scalability, performance and extensibility while reducing total cost of ownership. In this paper we demonstrate the generation of DICOM-RT directories containing an automatic average atlas based electron density image and fast pelvic organ contouring from whole pelvis MR scans.

Electron density and temperature in NIO1 RF source operated in oxygen and argon

Science.gov (United States)

Barbisan, M.; Zaniol, B.; Cavenago, M.; Pasqualotto, R.; Serianni, G.; Zanini, M.

2017-08-01

The NIO1 experiment, built and operated at Consorzio RFX, hosts an RF negative ion source, from which it is possible to produce a beam of maximum 130 mA in H- ions, accelerated up to 60 kV. For the preliminary tests of the extraction system the source has been operated in oxygen, whose high electronegativity allows to reach useful levels of extracted beam current. The efficiency of negative ions extraction is strongly influenced by the electron density and temperature close to the Plasma Grid, i.e. the grid of the acceleration system which faces the source. To support the tests, these parameters have been measured by means of the Optical Emission Spectroscopy diagnostic. This technique has involved the use of an oxygen-argon mixture to produce the plasma in the source. The intensities of specific Ar I and Ar II lines have been measured along lines of sight close to the Plasma Grid, and have been interpreted with the ADAS package to get the desired information. This work will describe the diagnostic hardware, the analysis method and the measured values of electron density and temperature, as function of the main source parameters (RF power, pressure, bias voltage and magnetic filter field). The main results show that not only electron density but also electron temperature increase with RF power; both decrease with increasing magnetic filter field. Variations of source pressure and plasma grid bias voltage appear to affect only electron temperature and electron density, respectively.

Total cross sections for positron and electron scattering from pyrimidine

International Nuclear Information System (INIS)

Zecca, A; Chiari, L; Trainotti, E; GarcIa, G; Blanco, F; Brunger, M J

2010-01-01

In this paper we report original measurements of total cross sections for positron scattering from the important biomolecule pyrimidine. The energy range of these measurements was 0.3-45 eV, while the energy resolution was ∼260 meV. In addition, we report theoretical results, calculated within the independent atom-screened additivity rule (IAM-SCAR) formalism, for the corresponding electron impact total cross sections. In that case the energy range is 1-10 000 eV. Total cross sections are very important input data for codes that seek to simulate charged-particle tracks in matter, as they define the mean-free path between collisions. As the present data and computations are to the best of our knowledge the first total cross sections to be reported for either positron or electron scattering from pyrimidine, they fill an important void in our available knowledge in the literature.

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

International Nuclear Information System (INIS)

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

2014-01-01

MRI significantly improves the accuracy and reliability of target delineation in radiation therapy for certain tumors due to its superior soft tissue contrast compared to CT. A treatment planning process with MRI as the sole imaging modality will eliminate systematic CT/MRI co-registration errors, reduce cost and radiation exposure, and simplify clinical workflow. However, MRI lacks the key electron density information necessary for accurate dose calculation and generating reference images for patient setup. The purpose of this work is to develop a unifying method to derive electron density from standard T1-weighted MRI. We propose to combine both intensity and geometry information into a unifying probabilistic Bayesian framework for electron density mapping. For each voxel, we compute two conditional probability density functions (PDFs) of electron density given its: (1) T1-weighted MRI intensity, and (2) geometry in a reference anatomy, obtained by deformable image registration between the MRI of the atlas and test patient. The two conditional PDFs containing intensity and geometry information are combined into a unifying posterior PDF, whose mean value corresponds to the optimal electron density value under the mean-square error criterion. We evaluated the algorithm’s accuracy of electron density mapping and its ability to detect bone in the head for eight patients, using an additional patient as the atlas or template. Mean absolute HU error between the estimated and true CT, as well as receiver operating characteristics for bone detection (HU > 200) were calculated. The performance was compared with a global intensity approach based on T1 and no density correction (set whole head to water). The proposed technique significantly reduced the errors in electron density estimation, with a mean absolute HU error of 126, compared with 139 for deformable registration (p = 2  ×  10 −4 ), 283 for the intensity approach (p = 2  ×  10 −6 ) and 282

The Role of Electron Transport and Trapping in MOS Total-Dose Modeling

International Nuclear Information System (INIS)

Fleetwood, D.M.; Winokur, P.S.; Riewe, L.C.; Flament, O.; Paillet, P.; Leray, J.L.

1999-01-01

Radiation-induced hole and electron transport and trapping are fundamental to MOS total-dose models. Here we separate the effects of electron-hole annihilation and electron trapping on the neutralization of radiation-induced charge during switched-bias irradiation for hard and soft oxides, via combined thermally stimulated current (TSC) and capacitance-voltage measurements. We also show that present total-dose models cannot account for the thermal stability of deeply trapped electrons near the Si/SiO 2 interface, or the inability of electrons in deep or shallow traps to contribute to TSC at positive bias following (1) room-temperature, (2) high-temperature, or (3) switched-bias irradiation. These results require revisions of modeling parameters and boundary conditions for hole and electron transport in SiO 2 . The nature of deep and shallow electron traps in the near-interfacial SiO 2 is discussed

Density functional application to strongly correlated electron systems

International Nuclear Information System (INIS)

Eschrig, H.; Koepernik, K.; Chaplygin, I.

2003-01-01

The local spin density approximation plus onsite Coulomb repulsion approach (LSDA+U) to density functional theory is carefully reanalyzed. Its possible link to single-particle Green's function theory is occasionally discussed. A simple and elegant derivation of the important sum rules for the on-site interaction matrix elements linking them to the values of U and J is presented. All necessary expressions for an implementation of LSDA+U into a non-orthogonal basis solver for the Kohn-Sham equations are given, and implementation into the full-potential local-orbital solver (Phys. Rev. B 59 (1999) 1743) is made. Results of application to several planar cuprate structures are reported in detail and conclusions on the interpretation of the physics of the electronic structure of the cuprates are drawn

Measurement of electron density profiles by soft X-ray tomography on the RTP tokamak

Energy Technology Data Exchange (ETDEWEB)

Cruz, D.F. da; Donne, A.J.H.; Lyadina, E.S.; Rutteman, R.H.; Tanzi, C.P. [FOM-Instituut voor Plasmafysica, Rijnhuizen (Netherlands)

1993-12-31

Tomographic diagnosis of the soft x-ray emissivity profile is a powerful method for studying several plasma parameters. The x-ray emissivity is a complicated function of plasma quantities like the electron density and temperature, and the impurity content in the plasma. These quantities can be studied separately provided that information is available on the remaining parameters. Soft x-ray emissivity profiles have already been used successfully in other machines to determine local values of impurity densities and the effective charge Z{sub eff}. In the RTP tokamak the electron density profile has been inferred from a modelling of the x-ray emissivity in situations where information is available on the electron temperature profile, the value of Z{sub eff}, and the relative proportion of the impurities. The method can be useful for the study of hollow density profiles that cannot be properly reconstructed by Abel inversion of interferometer or reflectometer data. (author) 7 refs., 2 figs.

Measurement of electron density profiles by soft X-ray tomography on the RTP tokamak

International Nuclear Information System (INIS)

Cruz, D.F. da; Donne, A.J.H.; Lyadina, E.S.; Rutteman, R.H.; Tanzi, C.P.

1993-01-01

Tomographic diagnosis of the soft x-ray emissivity profile is a powerful method for studying several plasma parameters. The x-ray emissivity is a complicated function of plasma quantities like the electron density and temperature, and the impurity content in the plasma. These quantities can be studied separately provided that information is available on the remaining parameters. Soft x-ray emissivity profiles have already been used successfully in other machines to determine local values of impurity densities and the effective charge Z eff . In the RTP tokamak the electron density profile has been inferred from a modelling of the x-ray emissivity in situations where information is available on the electron temperature profile, the value of Z eff , and the relative proportion of the impurities. The method can be useful for the study of hollow density profiles that cannot be properly reconstructed by Abel inversion of interferometer or reflectometer data. (author) 7 refs., 2 figs

Measuring the Density of a Molecular Cluster Injector via Visible Emission from an Electron Beam

Energy Technology Data Exchange (ETDEWEB)

Lundberg, D. P.; Kaita, R.; Majeski, R. M.; Stotler, D. P.

2010-06-28

A method to measure the density distribution of a dense hydrogen gas jet is pre- sented. A Mach 5.5 nozzle is cooled to 80K to form a flow capable of molecular cluster formation. A 250V, 10mA electron beam collides with the jet and produces Hα emission that is viewed by a fast camera. The high density of the jet, several 10¹⁶cm^-3, results in substantial electron depletion, which attenuates the H_α emission. The attenuated emission measurement, combined with a simplified electron-molecule collision model, allows us to determine the molecular density profile via a simple iterative calculation.

Coaxial wet-spun yarn supercapacitors for high-energy density and safe wearable electronics

Science.gov (United States)

Kou, Liang; Huang, Tieqi; Zheng, Bingna; Han, Yi; Zhao, Xiaoli; Gopalsamy, Karthikeyan; Sun, Haiyan; Gao, Chao

2014-01-01

Yarn supercapacitors have great potential in future portable and wearable electronics because of their tiny volume, flexibility and weavability. However, low-energy density limits their development in the area of wearable high-energy density devices. How to enhance their energy densities while retaining their high-power densities is a critical challenge for yarn supercapacitor development. Here we propose a coaxial wet-spinning assembly approach to continuously spin polyelectrolyte-wrapped graphene/carbon nanotube core-sheath fibres, which are used directly as safe electrodes to assembly two-ply yarn supercapacitors. The yarn supercapacitors using liquid and solid electrolytes show ultra-high capacitances of 269 and 177 mF cm−2 and energy densities of 5.91 and 3.84 μWh cm−2, respectively. A cloth supercapacitor superior to commercial capacitor is further interwoven from two individual 40-cm-long coaxial fibres. The combination of scalable coaxial wet-spinning technology and excellent performance of yarn supercapacitors paves the way to wearable and safe electronics. PMID:24786366

Coaxial wet-spun yarn supercapacitors for high-energy density and safe wearable electronics

Science.gov (United States)

Kou, Liang; Huang, Tieqi; Zheng, Bingna; Han, Yi; Zhao, Xiaoli; Gopalsamy, Karthikeyan; Sun, Haiyan; Gao, Chao

2014-05-01

Yarn supercapacitors have great potential in future portable and wearable electronics because of their tiny volume, flexibility and weavability. However, low-energy density limits their development in the area of wearable high-energy density devices. How to enhance their energy densities while retaining their high-power densities is a critical challenge for yarn supercapacitor development. Here we propose a coaxial wet-spinning assembly approach to continuously spin polyelectrolyte-wrapped graphene/carbon nanotube core-sheath fibres, which are used directly as safe electrodes to assembly two-ply yarn supercapacitors. The yarn supercapacitors using liquid and solid electrolytes show ultra-high capacitances of 269 and 177 mF cm-2 and energy densities of 5.91 and 3.84 μWh cm-2, respectively. A cloth supercapacitor superior to commercial capacitor is further interwoven from two individual 40-cm-long coaxial fibres. The combination of scalable coaxial wet-spinning technology and excellent performance of yarn supercapacitors paves the way to wearable and safe electronics.

Structural, electronic, and magnetic properties of Y(n)O (n=2-14) clusters: Density functional study.

Science.gov (United States)

Yang, Zhi; Xiong, Shi-Jie

2008-09-28

The geometries stability, electronic properties, and magnetism of Y(n)O clusters up to n=14 are systematically studied with density functional theory. In the lowest-energy structures of Y(n)O clusters, the equilibrium site of the oxygen atom gradually moves from an outer site of the cluster, via a surface site, and finally, to an interior site as the number of the Y atoms increases from 2 to 14. Starting from n=12, the O atom falls into the center of the cluster with the Y atoms forming the outer frame. The results show that clusters with n=2, 4, 8, and 12 are more stable than their respective neighbors, and that the total magnetic moments of Y(n)O clusters are all quite small except Y(12)O cluster. The lowest-energy structure of Y(12)O cluster is a perfect icosahedron with a large magnetic moment 6mu(B). In addition, we find that the total magnetic moments are quenched for n=2, 6, and 8 due to the closed-shell electronic configuration. The calculated ionization potentials and electron affinities are in good agreement with the experimental results, which imply that the present theoretical treatments are satisfactory.

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

Science.gov (United States)

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.

Age, gender, and race/ethnic differences in total body and subregional bone density.

Science.gov (United States)

Looker, A C; Melton, L J; Harris, T; Borrud, L; Shepherd, J; McGowan, J

2009-07-01

Total body bone density of adults from National Health and Nutrition Examination Survey (NHANES) 1999-2004 differed as expected for some groups (men>women and blacks>whites) but not others (whites>Mexican Americans). Cross-sectional age patterns in bone mineral density (BMD) of older adults differed at skeletal sites that varied by degree of weight-bearing. Total body dual-energy X-ray absorptiometry (DXA) data offer the opportunity to compare bone density of demographic groups across the entire skeleton. The present study uses total body DXA data (Hologic QDR 4500A, Hologic, Bedford MA, USA) from the NHANES 1999-2004 to examine BMD of the total body and selected skeletal subregions in a wide age range of adult men and women from three race/ethnic groups. Total body, lumbar spine, pelvis, right leg, and left arm BMD and lean mass from 13,091 adults aged 20 years and older were used. The subregions were chosen to represent sites with different degrees of weight-bearing. Mean BMD varied in expected ways for some demographic characteristics (men>women and non-Hispanic blacks>non-Hispanic whites) but not others (non-Hispanic whites>Mexican Americans). Differences in age patterns in BMD also emerged for some characteristics (sex) but not others (race/ethnicity). Differences in cross-sectional age patterns in BMD and lean mass by degree of weight-bearing in older adults were observed for the pelvis, leg, and arm. This information may be useful for generating hypotheses about age, race, and sex differences in fracture risk in the population.

Automated Processing of ISIS Topside Ionograms into Electron Density Profiles

Science.gov (United States)

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

2004-01-01

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

Automated crystallographic ligand building using the medial axis transform of an electron-density isosurface.

Science.gov (United States)

Aishima, Jun; Russel, Daniel S; Guibas, Leonidas J; Adams, Paul D; Brunger, Axel T

2005-10-01

Automatic fitting methods that build molecules into electron-density maps usually fail below 3.5 A resolution. As a first step towards addressing this problem, an algorithm has been developed using an approximation of the medial axis to simplify an electron-density isosurface. This approximation captures the central axis of the isosurface with a graph which is then matched against a graph of the molecular model. One of the first applications of the medial axis to X-ray crystallography is presented here. When applied to ligand fitting, the method performs at least as well as methods based on selecting peaks in electron-density maps. Generalization of the method to recognition of common features across multiple contour levels could lead to powerful automatic fitting methods that perform well even at low resolution.

Influence of carrier density on the electronic cooling channels of bilayer graphene

NARCIS (Netherlands)

Limmer, T.; Houtepen, A.J.; Niggebaum, A.; Tautz, R.; Da Como, E.

2011-01-01

We study the electronic cooling dynamics in a single flake of bilayer graphene by femtosecond transient absorption probing the photon-energy range 0.25–1.3 eV. From the transients, we extract the carrier cooling curves for different initial temperatures and densities of the photoexcited electrons

Effective atomic numbers and electron density of dosimetric material

Directory of Open Access Journals (Sweden)

Kaginelli S

2009-01-01

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

Local conditions for the Pauli potential in order to yield self-consistent electron densities exhibiting proper atomic shell structure

Energy Technology Data Exchange (ETDEWEB)

Finzel, Kati, E-mail: kati.finzel@liu.se [Linköpings University, IFM Department of Physics, 58183 Linköping (Sweden)

2016-01-21

The local conditions for the Pauli potential that are necessary in order to yield self-consistent electron densities from orbital-free calculations are investigated for approximations that are expressed with the help of a local position variable. It is shown that those local conditions also apply when the Pauli potential is given in terms of the electron density. An explicit formula for the Ne atom is given, preserving the local conditions during the iterative procedure. The resulting orbital-free electron density exhibits proper shell structure behavior and is in close agreement with the Kohn-Sham electron density. This study demonstrates that it is possible to obtain self-consistent orbital-free electron densities with proper atomic shell structure from simple one-point approximations for the Pauli potential at local density level.

Evaporation of carbon using electrons of a high density plasma; Evaporacion de carbono usando los electrones de un plasma de alta densidad

Energy Technology Data Exchange (ETDEWEB)

Muhl, S.; Camps, E.; Escobar A, L.; Garcia E, J.L.; Olea, O. [Instituto de Investigaciones en Materiales, UNAM, C.P. 04510 Mexico D.F. (Mexico)

2000-07-01

The high density plasmas are used frequently in the preparation of thin films or surface modification, for example to nitridation. In these processes, are used mainly the ions and the neutrals which compose the plasma. However, the electrons present in the plasma are not used, except in the case of chemical reactions induced by collisions, although the electron bombardment usually get hot the work piece. Through the adequate polarization of a conductor material, it is possible to extract electrons from a high density plasma at low pressure, that could be gotten the evaporation of this material. As result of the interaction between the plasma and the electron flux with the vapor produced, this last will be ionized. In this work, it is reported the use of this novelty arrangement to prepare carbon thin films using a high density argon plasma and a high purity graphite bar as material to evaporate. It has been used substrates outside plasma and immersed in the plasma. Also it has been reported the plasma characteristics (temperature and electron density, energy and ions flux), parameters of the deposit process (deposit rate and ion/neutral rate) as well as the properties of the films obtained (IR absorption spectra and UV/Vis, elemental analysis, hardness and refractive index). (Author)

Thomson scattering on argon surfatron plasmas at intermediate pressures: Axial profiles of the electron temperature and electron density

Energy Technology Data Exchange (ETDEWEB)

Palomares, J.M., E-mail: f02palij@gmail.co [Departamento de Fisica, Universidad de Cordoba, Campus de Rabanales, ed. C-2, 14071 Cordoba (Spain); Iordanova, E.; Veldhuizen, E.M. van; Baede, L. [Department of Applied Physics, Eindhoven University of Technology, PO Box 513, 5600 MB Eindhoven (Netherlands); Gamero, A.; Sola, A. [Departamento de Fisica, Universidad de Cordoba, Campus de Rabanales, ed. C-2, 14071 Cordoba (Spain); Mullen, J.J.A.M. van der, E-mail: j.j.a.m.v.d.Mullen@tue.n [Department of Applied Physics, Eindhoven University of Technology, PO Box 513, 5600 MB Eindhoven (Netherlands); Departamento de Fisica, Universidad de Cordoba, Campus de Rabanales, ed. C-2, 14071 Cordoba (Spain)

2010-03-15

The axial profiles of the electron density n{sub e} and electron temperature T{sub e} of argon surfatron plasmas in the pressure range of 6-20 mbar and microwave power between 32 and 82 W have been determined using Thomson Scattering of laser irradiation at 532 nm. For the electron density and temperature we found values in the ranges 5 x 10{sup 18} < n{sub e} < 8 x 10{sup 19} m{sup -3} and 1.1 < T{sub e} < 2.0 eV. Due to several improvements of the setup we could reduce the errors of n{sub e} and T{sub e} down to 8% and 3%, respectively. It is found that n{sub e} decreases in the direction of the wave propagation with a slope that is nearly constant. The slope depends on the pressure but not on the power. Just as predicted by theories we see that increasing the power leads to longer plasma columns. However, the plasmas are shorter than what is predicted by theories based on the assumption that for the plasma-wave interaction electron-atom collisions are of minor importance (the so-called collisionless regime). The plasma vanishes long before the critical value of the electron density is reached. In contrast to what is predicted by the positive column model it is found that T{sub e} does not stay constant along the column, but monotonically increases with the distance from the microwave launcher. Increases of more than 50% over 30 cm were found.

Electron mobility in supercritical pentanes as a function of density and temperature

International Nuclear Information System (INIS)

Itoh, Kengo; Nakagawa, Kazumichi; Nishikawa, Masaru

1988-01-01

The excess electron mobility in supercritical n-, iso- and neopentane was measured isothermally as a function of density. The density-normalized mobility μN in all three isomers goes through a minimum at a density below the respective critical densities, and the mobility is quite temperature-dependent in this region, then goes through a minimum. The μN behavior around the minimum in n-pentane is well accounted for by the Cohen-Lekner model with the structure factor S(K) estimated from the speed of sound, while that in iso- and neopentane is not. (author)

Partial differential equation for the idempotent Dirac density matrix characterized solely by the exact non-relativistic ground-state electron density for spherical atomic ions

International Nuclear Information System (INIS)

March, N.H.

2009-08-01

In this Journal, March and Suhai have earlier set up a first-order Dirac idempotent density matrix theory for one- and two-level occupancy in which the only input required is the nonrelativistic ground-state electron density. Here, an analytic generalization is provided for the case of spherical electron densities for arbitrary level occupancy. Be-like atomic ions are referred to as an example, but 'almost spherical' molecules like SiH 4 and GeH 4 also become accessible. (author)

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

Science.gov (United States)

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.

Appraisal of ANN and ANFIS for Predicting Vertical Total Electron ...

African Journals Online (AJOL)

Positional accuracy in the usage of GPS receiver is one of the major challenges in GPS observations. The propagation of the GPS signals are interfered by free electrons which are the massive particles in the ionosphere region and results in delays in the transmission of signals to the Earth. Therefore, the total electron ...

Effective atomic number, electron density and kerma of gamma ...

Indian Academy of Sciences (India)

Abstract. An attempt has been made to estimate the effective atomic number, electron density (0.001 to 105 MeV) and kerma (0.001 to 20 MeV) of gamma radiation for a wide range of oxides of ... The lanthanide oxides find remarkable applications in the field of medicine, biology, nuclear engineering and space technology.

Pre-storm electron density enhancements at middle latitudes

Czech Academy of Sciences Publication Activity Database

Burešová, Dalia; Laštovička, Jan

2008-01-01

Roč. 70, č. 15 (2008), s. 1848-1855 ISSN 1364-6826 R&D Projects: GA MŠk OC 091; GA MŠk 1P05OC030; GA AV ČR 1QS300120506; GA ČR GA205/08/1356 Grant - others:European Union(XE) COST 296 Institutional research plan: CEZ:AV0Z30420517 Keywords : Ionosphere * Electron density * Pre-stormenhancement Subject RIV: DG - Athmosphere Sciences, Meteorology Impact factor: 1.667, year: 2008

Bayesian modeling of JET Li-BES for edge electron density profiles using Gaussian processes

Science.gov (United States)

Kwak, Sehyun; Svensson, Jakob; Brix, Mathias; Ghim, Young-Chul; JET Contributors Collaboration

2015-11-01

A Bayesian model for the JET lithium beam emission spectroscopy (Li-BES) system has been developed to infer edge electron density profiles. The 26 spatial channels measure emission profiles with ~15 ms temporal resolution and ~1 cm spatial resolution. The lithium I (2p-2s) line radiation in an emission spectrum is calculated using a multi-state model, which expresses collisions between the neutral lithium beam atoms and the plasma particles as a set of differential equations. The emission spectrum is described in the model including photon and electronic noise, spectral line shapes, interference filter curves, and relative calibrations. This spectral modeling gets rid of the need of separate background measurements for calculating the intensity of the line radiation. Gaussian processes are applied to model both emission spectrum and edge electron density profile, and the electron temperature to calculate all the rate coefficients is obtained from the JET high resolution Thomson scattering (HRTS) system. The posterior distributions of the edge electron density profile are explored via the numerical technique and the Markov chain Monte Carlo (MCMC) samplings. See the Appendix of F. Romanelli et al., Proceedings of the 25th IAEA Fusion Energy Conference 2014, Saint Petersburg, Russia.

Behaviour of the electron density near an impurity with exchange and correlation

International Nuclear Information System (INIS)

Adawi, I.; Godwin, V.E.

1982-09-01

The behaviour of the electron density n(r) and potential energy V(r) near an impurity of charge Z is studied in the linear response theory of metals with exchange and correlation. The leading two terms in nsub(odd)(r) and the first three terms in Vsub(odd)(r) are the same as in the Lindhard theory, but corrections appear in the higher terms of the odd powers expansions of these functions. In all quantum linear response theories, the derivative n'(0)=-2Zn 0 /a 0 where n 0 is the free electron gas density and a 0 is the Bohr radius. (author)

Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF

Science.gov (United States)

Li, Chen; Requist, Ryan; Gross, E. K. U.

2018-02-01

We perform model calculations for a stretched LiF molecule, demonstrating that nonadiabatic charge transfer effects can be accurately and seamlessly described within a density functional framework. In alkali halides like LiF, there is an abrupt change in the ground state electronic distribution due to an electron transfer at a critical bond length R = Rc, where an avoided crossing of the lowest adiabatic potential energy surfaces calls the validity of the Born-Oppenheimer approximation into doubt. Modeling the R-dependent electronic structure of LiF within a two-site Hubbard model, we find that nonadiabatic electron-nuclear coupling produces a sizable elongation of the critical Rc by 0.5 bohr. This effect is very accurately captured by a simple and rigorously derived correction, with an M-1 prefactor, to the exchange-correlation potential in density functional theory, M = reduced nuclear mass. Since this nonadiabatic term depends on gradients of the nuclear wave function and conditional electronic density, ∇Rχ(R) and ∇Rn(r, R), it couples the Kohn-Sham equations at neighboring R points. Motivated by an observed localization of nonadiabatic effects in nuclear configuration space, we propose a local conditional density approximation—an approximation that reduces the search for nonadiabatic density functionals to the search for a single function y(n).

Comparison of three techniques for skin total irradiation with electrons

International Nuclear Information System (INIS)

Batista, Delano V.S.; Bardella, Lucia H.; Rosa, Luiz A.R. da

2011-01-01

This paper compared three techniques of skin total irradiation with electrons: 1) horizontal positioning, 2) vertical positioning - rotatory technique and 3) vertical positioning - six fields technique. For that, a anthropomorphic phantom was positioned according to the recommendation for each technique and was i radiated at the linear accelerator by using the 6 MeV electrons. Radiochromic films were positioned on the surface in various regions of the phantom for measurement of absorbed dose. A ionization chamber was positioned inside of equivalent issue plates for dose evaluation due to the photons produced by electron stopping. The technique 2 and 3 have shown too similar in the results and number or discrepant points (8 and 10 respectively) of prescription lower than the technique 1 (22 points). The total body dose of photons of the 1, 2 and 3 techniques was 2.2%, 5.3% and 5.2% respectively

Local and global properties of eigenfunctions and one-electron densities of Coulombic Schrödinger operators

DEFF Research Database (Denmark)

Fournais, Søren; Hoffmann-Ostenhof, Maria; Hoffmann-Ostenhof, Thomas

2008-01-01

We review recent results by the authors on the regularity of molecular eigenfunctions ψ and their corresponding one-electron densities ρ, as well as of the spherically averaged one-electron atomic density ρ. Furthermore, we prove an exponentially decreasing lower bound for ρ in the case when...

Electron-cyclotron wave scattering by edge density fluctuations in ITER

Science.gov (United States)

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.

Electron number density profiles derived from radio occultation on the CASSIOPE spacecraft

DEFF Research Database (Denmark)

Shume, E. B.; Vergados, P.; Komjathy, A.

2017-01-01

This paper presents electron number density profiles derived from high resolution Global Positioning System (GPS) radio occultation (RO) observations performed using the Enhanced Polar Outflow Probe (e-POP) payload on the high inclination CAScade, Smallsat and IOnospheric Polar Explorer (CASSIOPE...... good agreement with density profiles estimated from ionosonde data, measured over nearby stations to the latitude and longitude of the RO tangent points, (2) in good agreement with density profiles inferred from GPS RO measured by the Constellation Observing System for Meteorology, Ionosphere...

The Holographic Electron Density Theorem, de-quantization, re-quantization, and nuclear charge space extrapolations of the Universal Molecule Model

Science.gov (United States)

Mezey, Paul G.

2017-11-01

Two strongly related theorems on non-degenerate ground state electron densities serve as the basis of "Molecular Informatics". The Hohenberg-Kohn theorem is a statement on global molecular information, ensuring that the complete electron density contains the complete molecular information. However, the Holographic Electron Density Theorem states more: the local information present in each and every positive volume density fragment is already complete: the information in the fragment is equivalent to the complete molecular information. In other words, the complete molecular information provided by the Hohenberg-Kohn Theorem is already provided, in full, by any positive volume, otherwise arbitrarily small electron density fragment. In this contribution some of the consequences of the Holographic Electron Density Theorem are discussed within the framework of the "Nuclear Charge Space" and the Universal Molecule Model. In the Nuclear Charge Space" the nuclear charges are regarded as continuous variables, and in the more general Universal Molecule Model some other quantized parameteres are also allowed to become "de-quantized and then re-quantized, leading to interrelations among real molecules through abstract molecules. Here the specific role of the Holographic Electron Density Theorem is discussed within the above context.

Vertical and longitudinal electron density structures of equatorial E- and F-regions

Directory of Open Access Journals (Sweden)

P. S. Brahmanandam

2011-01-01

Full Text Available From global soundings of ionospheric electron density made with FORMOSAT 3/COSMIC satellites for September 2006–August 2009, day-night variations in vertical and longitudinal structures of the electron densities in equatorial E- and F-regions for different seasons are investigated for the first time. The results reveal that the wavenumber-3 and wavenumber-4 patterns dominated the nighttime (22:00–04:00 LT F-region longitudinal structures in solstice and in equinox seasons, respectively. In daytime (08:00–18:00 LT F-region, the wavenumber-4 patterns governed the longitudinal structures in the September equinox and December solstice, and wavenumber-3 in March equinox and June solstice respectively. A comparison of the daytime and nighttime longitudinal electron density structures indicates that they are approximately 180° out of phase with each other. It is believed that this out of phase relation is very likely the result of the opposite phase relation between daytime and nighttime nonmigrating diurnal tidal winds that modulate background E-region dynamo electric field at different places, leading to the day-night change in the locations of the equatorial plasma fountains that are responsible for the formation of the F-region longitudinal structures. Further, a good consistency between the locations of the density structures in the same seasons of the different years for both daytime and nighttime epochs has been noticed indicating that the source mechanism for these structures could be the same.

Study on intense relativistic electron beam propagation in a low density collisionless plasma

International Nuclear Information System (INIS)

Korenev, S.A.; Rubin, N.B.; Khodataev, K.V.

1982-01-01

The results of investigations into the increase in effectivity of transport of an intensive relativistic electron beam (IREB) in a collisionless plasma of low density are presented. The electron beam with the current of 1.5 kA, energy of 300 keV, radius of 1.5 cm is in ected into a plasma channel 180 cm long which is a metallic cylinder covered with a biniplast layer from inside 0.5 cm thickness on which there is a metallic net from the vacuum side. Plasma production is carried out during the supply of voltage pulse to the net. A condition of the optimum IREB distribution is found. It is sohwn that self-focusing IREB transport in plasma of low density can be effective if equilibrium conditions are carried out in plasma with the concentration of electrons less (or equal) to the concentration of electrons in a beam

Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

Energy Technology Data Exchange (ETDEWEB)

Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Costa, R. F. da [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); Departamento de Física, Universidade Federal do Espírito Santo, 29075-910, Vitória, Espírito Santo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); Lima, M. A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); Blanco, F. [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, Madrid E-28040 (Spain); García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

2016-04-14

We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20–250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron–furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.

Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

International Nuclear Information System (INIS)

Jones, D. B.; Costa, R. F. da; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; Blanco, F.; García, G.; Brunger, M. J.

2016-01-01

We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20–250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron–furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.

Density functional study of electronic, magnetic and hyperfine properties of [M(CN)5 NO]2- (M=Fe, Ru) and reduction products

International Nuclear Information System (INIS)

Gomez, J.A.; Guenzburger, Diana

1999-06-01

The Discrete Variational method (DVM) in density functional theory was employed to investigate the electronic structure of the complexes [Fe(CN) 5 NO] 2- (Nitroprusside), [Fe(CN) 5 NO] 3- , [Fe(CN) 4 NO] 2- , [Ru(CN) 5 NO] 2- and [Ru(CN) 5 NO] 3- . Total energy calculations revealed that in pentacyano nitrosyl ferrate (I) and pentacyano nitrosyl ruthenate (I), which are paramagnetic ions containing one unpaired electron, the M-N-O angle is bent, having values of 152.5 deg and 144 deg, respectively. From self-consistent spin-polarized calculations, the distribution of unpaired electron in the paramagnetic complexes [Fe(CN) 5 NO] 3, [Fe(CN) 4 NO] 2- and [Ru(CN) 5 NO] 3- was obtained as well as spin-density maps. A long-standing controversy regarding the configuration of [Fe(CN) 5 NO] 3- was elucidated, and it was found that the unpaired electron in this complex is in an orbital primarily localized on π * (NO). Moessbauer quadrupole splittings on Fe and Ru were derived from calculations of the electric-field gradients. Magnetic hyperfine coupling constants on No of the NO ligand were also obtained for the paramagnetic complexes. (author)

Polyquant CT: direct electron and mass density reconstruction from a single polyenergetic source

Science.gov (United States)

Mason, Jonathan H.; Perelli, Alessandro; Nailon, William H.; Davies, Mike E.

2017-11-01

Quantifying material mass and electron density from computed tomography (CT) reconstructions can be highly valuable in certain medical practices, such as radiation therapy planning. However, uniquely parameterising the x-ray attenuation in terms of mass or electron density is an ill-posed problem when a single polyenergetic source is used with a spectrally indiscriminate detector. Existing approaches to single source polyenergetic modelling often impose consistency with a physical model, such as water-bone or photoelectric-Compton decompositions, which will either require detailed prior segmentation or restrictive energy dependencies, and may require further calibration to the quantity of interest. In this work, we introduce a data centric approach to fitting the attenuation with piecewise-linear functions directly to mass or electron density, and present a segmentation-free statistical reconstruction algorithm for exploiting it, with the same order of complexity as other iterative methods. We show how this allows both higher accuracy in attenuation modelling, and demonstrate its superior quantitative imaging, with numerical chest and metal implant data, and validate it with real cone-beam CT measurements.

Dimmable electronic ballasts by variable power density modulation technique

Science.gov (United States)

Borekci, Selim; Kesler, Selami

2014-11-01

Dimming can be accomplished commonly by switching frequency and pulse density modulation techniques and a variable inductor. In this study, a variable power density modulation (VPDM) control technique is proposed for dimming applications. A fluorescent lamp is operated in several states to meet the desired lamp power in a modulation period. The proposed technique has the same advantages of magnetic dimming topologies have. In addition, a unique and flexible control technique can be achieved. A prototype dimmable electronic ballast is built and experiments related to it have been conducted. As a result, a 36WT8 fluorescent lamp can be driven for a desired lamp power from several alternatives without modulating the switching frequency.

Orbital functionals in density-matrix- and current-density-functional theory

Energy Technology Data Exchange (ETDEWEB)

Helbig, N

2006-05-15

Density-Functional Theory (DFT), although widely used and very successful in the calculation of several observables, fails to correctly describe strongly correlated materials. In the first part of this work we, therefore, introduce reduced-densitymatrix- functional theory (RDMFT) which is one possible way to treat electron correlation beyond DFT. Within this theory the one-body reduced density matrix (1- RDM) is used as the basic variable. Our main interest is the calculation of the fundamental gap which proves very problematic within DFT. In order to calculate the fundamental gap we generalize RDMFT to fractional particle numbers M by describing the system as an ensemble of an N and an N+1 particle system (with N{<=}M{<=}N+1). For each fixed particle number, M, the total energy is minimized with respect to the natural orbitals and their occupation numbers. This leads to the total energy as a function of M. The derivative of this function with respect to the particle number has a discontinuity at integer particle number which is identical to the gap. In addition, we investigate the necessary and sufficient conditions for the 1- RDM of a system with fractional particle number to be N-representable. Numerical results are presented for alkali atoms, small molecules, and periodic systems. Another problem within DFT is the description of non-relativistic many-electron systems in the presence of magnetic fields. It requires the paramagnetic current density and the spin magnetization to be used as basic variables besides the electron density. However, electron-gas-based functionals of current-spin-density-functional Theory (CSDFT) exhibit derivative discontinuities as a function of the magnetic field whenever a new Landau level is occupied, which makes them difficult to use in practice. Since the appearance of Landau levels is, intrinsically, an orbital effect it is appealing to use orbital-dependent functionals. We have developed a CSDFT version of the optimized

The relationship between ionospheric temperature, electron density and solar activity

International Nuclear Information System (INIS)

McDonald, J.N.; Williams, P.J.S.

1980-01-01

In studying the F-region of the ionosphere several authors have concluded that the difference between the electron temperature Tsub(e) and the ion temperature Tsub(i) is related to the electron density N. It was later noted that solar activity (S) was involved and an empirical relationship of the following form was established: Tsub(e)-Tsub(i) = A-BN+CS. The present paper extends this work using day-time data over a four year period. The results are given and discussed. A modified form of the empirical relation is proposed. (U.K.)

Total cross sections for electron scattering with halocarbon molecules

Energy Technology Data Exchange (ETDEWEB)

Naghma, Rahla; Gupta, Dhanoj; Antony, Bobby, E-mail: bka.ism@gmail.com

2014-03-01

Highlights: • A quantum mechanical model to find elastic, inelastic and total CS by e{sup −} impact. • Spherical complex optical potential formalism is used to find total CS. • Result shows consistency and good agreement with previous data wherever available. • Maiden attempt to find CS for CH{sub 2}Br{sub 2}, CHBr{sub 3}, CBr{sub 4} and C{sub n}H{sub 2n+1}Cl (n = 2–4) molecules. • Interesting correlation observed between total CS and polarizability of the molecule. - Abstract: A theoretical study on electron collision with chlorinated methanes: CH{sub 2}Cl{sub 2} and CHCl{sub 3}, brominated methanes: CH{sub 2}Br{sub 2}, CHBr{sub 3} and CBr{sub 4} and some mono chloroalkanes: C{sub n}H{sub 2n+1}Cl (n = 2–4) molecules in gaseous ground state is undertaken to report elastic, inelastic and total cross sections in the 20–5000 eV energy range. The target molecule is represented as a sum of various scattering centres, which are assumed to scatter electrons independently. The spherical complex optical potential (SCOP) is formulated to represent the interaction dynamics between the electron and the constituent scattering centres. Using SCOP, the quantum mechanical scattering problem is solved through partial wave analysis. The results obtained for CH{sub 2}Cl{sub 2} and CHCl{sub 3} are compared with the available experimental and theoretical values. The elastic cross section for CBr{sub 4} shows satisfactory agreement with the previous available data. The cross sections for CH{sub 2}Br{sub 2}, CHBr{sub 3}, and C{sub n}H{sub 2n+1}Cl (n = 2–4) molecules presented in this work are reported for the first time.

Measurements of electron density and temperature profiles in a gas blanket experiment

International Nuclear Information System (INIS)

Kuthy, A.

1979-02-01

Radial profiles of electron density, temperature and H sub(β) intensity are presented for the rotating plasma device F-1. The hydrogen filling pressure, the average magnetic field strength at the midplane, and the power input to the discharge have been varied in the ranges 10-100 mTorr, 0.25-0.5 Tesla, and 0.1 to 1.5 MW, respectively. These experiments have been performed with the main purpose of studying the gas blanket (cold-mantle) state of the plasma. It is shown, that a simple spectroscopic method can be used to derive the radial distribution of the electron temperature in such plasmas. The observed peak temperatures and densities are in agreement with earlier theoretical estimates. (author)

A far-infrared Michelson interferometer for tokamak electron density measurements using computer-generated reference fringes

International Nuclear Information System (INIS)

Krug, P.A.; Stimson, P.A.; Falconer, I.S.

1986-01-01

A simple far-infrared interferometer which uses the 394 μm laser line from optically-pumped formic acid vapour to measure tokamak electron density is described. This interferometer is unusual in requiring only one detector and a single probing beam since reference fringes during the plasma shot are obtained by computer interpolation between the fringes observed immediately before and after the shot. Electron density has been measured with a phase resolution corresponding to + - 1/20 wavelength fringe shift, which is equivalent to a central density resolution of + - 0.1 x 10 19 m -3 for an assumed parabolic density distribution in a plasma of diameter of 0.2 m, and with a time resolution of 0.2 ms. (author)

Mikheyev-Smirnov-Wolfenstein effect for linear electron density

International Nuclear Information System (INIS)

Lehmann, H.; Osland, P.; Wu, T.T.; European Organization for Nuclear Research, Geneva

2001-01-01

When the electron density is a linear function of distance, it is known that the MSW equations for two neutrino species can be solved in terms of known functions. It is shown here that more generally, for any number of neutrino species, these MSW equations can be solved exactly in terms of single integrals. While these integrals cannot be expressed in terms of known functions, some of their simple properties are obtained. Application to the solar neutrino problem is briefly discussed. (orig.)

Mikheyev-Smirnov-Wolfenstein Effect for Linear Electron Density

CERN Document Server

Lehmann, H; Wu Tai Tsun; Lehmann, Harry; Osland, Per; Wu, Tai Tsun

2001-01-01

When the electron density is a linear function of distance, it is known that the MSW equations for two neutrino species can be solved in terms of known functions. It is shown here that more generally, for any number of neutrino species, these MSW equations can be solved exactly in terms of single integrals. While these integrals cannot be expressed in terms of known functions, some of their simple properties are obtained. Application to the solar neutrino problem is briefly discussed.

Mikheyev-Smirnov-Wolfenstein Effect for Linear Electron Density

OpenAIRE

Lehmann, H; Osland, P; Wu Tai Tsun

2000-01-01

When the electron density is a linear function of distance, it is known that the MSW equations for two neutrino species can be solved in terms of known functions. It is shown here that more generally, for any number of neutrino species, these MSW equations can be solved exactly in terms of single integrals. While these integrals cannot be expressed in terms of known functions, some of their simple properties are obtained. Application to the solar neutrino problem is briefly discussed.

Electron beam cross-linking of natural rubber/linear-low density polyethylene blends

International Nuclear Information System (INIS)

Ahmad, A.; Mohd, D. H.; Abdullah, I.

2005-01-01

Effects of electron beam irradiation on the mechanical properties and morphological structure of natural rubber/linear-low density polyethylene blend was investigated The natural rubber/linear-low density polyethylene blend was prepared by melt blending in a Haake internal mixer at 140 d ig C , rotor speed of 50 rpm, and in 15 min Liquid natural rubber was incorporated into the blend as a compatibilizer Samples in the form of 1 mm sheets were exposed to 50-300 kGy of electron beam irradiation and analyzed for swelling index and gel content, tensile strength, and surface morphology. The result Indicated that gel content and mechanical properties of the samples increased with radiation dosage. The honey-comb structure of the surface morphology in low dosage irradiated samples slowly transformed into a continuous matrix on increasing radiation dose The variation of mechanical and physical properties was due to Increase in cross-linking density in the rubber and plastic phases and rubber-plastic Interaction on irradiation

International Workshop on Electronic Density Functional Theory : Recent Progress and New Directions

CERN Document Server

Vignale, Giovanni; Das, Mukunda

1998-01-01

This book is an outcome of the International Workshop on Electronic Density Functional Theory, held at Griffith University in Brisbane, Australia, in July 1996. Density functional theory, standing as it does at the boundary between the disciplines of physics, chemistry, and materials science, is a great mixer. Invited experts from North America, Europe, and Australia mingled with students from several disciplines, rapidly taking up the informal style for which Australia is famous. A list of participants is given at the end of the book. Density functional theory (DFT) is a subtle approach to the very difficult problem of predicting the behavior of many interacting particles. A major application is the study of many-electron systems. This was the workshop theme, embracing inter alia computational chemistry and condensed matter physics. DFT circumvents the more conceptually straightforward (but more computationally intensive) approach in which one solves the many-body Schrodinger equation. It relies instead on r...

Variability of Total and Pathogenic Vibrio parahaemolyticus Densities in Northern Gulf of Mexico Water and Oysters▿

Science.gov (United States)

Zimmerman, A. M.; DePaola, A.; Bowers, J. C.; Krantz, J. A.; Nordstrom, J. L.; Johnson, C. N.; Grimes, D. J.

2007-01-01

Vibrio parahaemolyticus is indigenous to coastal environments and a frequent cause of seafood-borne gastroenteritis in the United States, primarily due to raw-oyster consumption. Previous seasonal-cycle studies of V. parahaemolyticus have identified water temperature as the strongest environmental predictor. Salinity has also been identified, although it is evident that its effect on annual variation is not as pronounced. The effects of other environmental factors, both with respect to the seasonal cycle and intraseasonal variation, are uncertain. This study investigated intraseasonal variations of densities of total and pathogenic V. parahaemolyticus organisms in oysters and overlying waters during the summer of 2004 at two sites in the northern Gulf of Mexico. Regression analyses indicated significant associations (P turbidity in water and in oysters at the Mississippi site but not at the Alabama site. Pathogenic V. parahaemolyticus organisms in Mississippi oyster and water samples were detected in 56% (9 out of 16) and 78% (43 out of 55) of samples, respectively. In contrast, 44% (7 out of 16) of oyster samples and 30% (14 out of 47) of water samples from Alabama were positive. At both sites, there was greater sample-to-sample variability in pathogenic V. parahaemolyticus densities than in total V. parahaemolyticus densities. These data suggest that, although total V. parahaemolyticus densities may be very informative, there is greater uncertainty when total V. parahaemolyticus densities are used to predict the risk of infection by pathogenic V. parahaemolyticus than previously recognized. PMID:17921270

Variability of total and pathogenic Vibrio parahaemolyticus densities in northern Gulf of Mexico water and oysters.

Science.gov (United States)

Zimmerman, A M; DePaola, A; Bowers, J C; Krantz, J A; Nordstrom, J L; Johnson, C N; Grimes, D J

2007-12-01

Vibrio parahaemolyticus is indigenous to coastal environments and a frequent cause of seafood-borne gastroenteritis in the United States, primarily due to raw-oyster consumption. Previous seasonal-cycle studies of V. parahaemolyticus have identified water temperature as the strongest environmental predictor. Salinity has also been identified, although it is evident that its effect on annual variation is not as pronounced. The effects of other environmental factors, both with respect to the seasonal cycle and intraseasonal variation, are uncertain. This study investigated intraseasonal variations of densities of total and pathogenic V. parahaemolyticus organisms in oysters and overlying waters during the summer of 2004 at two sites in the northern Gulf of Mexico. Regression analyses indicated significant associations (P turbidity in water and in oysters at the Mississippi site but not at the Alabama site. Pathogenic V. parahaemolyticus organisms in Mississippi oyster and water samples were detected in 56% (9 out of 16) and 78% (43 out of 55) of samples, respectively. In contrast, 44% (7 out of 16) of oyster samples and 30% (14 out of 47) of water samples from Alabama were positive. At both sites, there was greater sample-to-sample variability in pathogenic V. parahaemolyticus densities than in total V. parahaemolyticus densities. These data suggest that, although total V. parahaemolyticus densities may be very informative, there is greater uncertainty when total V. parahaemolyticus densities are used to predict the risk of infection by pathogenic V. parahaemolyticus than previously recognized.

ON THE ELECTRON-TO-NEUTRAL NUMBER DENSITY RATIO IN THE COMA OF COMET 67P/CHURYUMOV–GERASIMENKO: GUIDING EXPRESSION AND SOURCES FOR DEVIATIONS

Energy Technology Data Exchange (ETDEWEB)

Vigren, E.; Eriksson, A. I.; Edberg, N. J. T.; Odelstad, E. [Swedish Institute of Space Physics, Uppsala (Sweden); Galand, M.; Schwartz, S. J., E-mail: erik.vigren@irfu.se [Department of Physics, Imperial College London, London, SW7 2AZ (United Kingdom)

2015-10-10

We compute partial photoionization frequencies of H{sub 2}O, CO{sub 2}, and CO, the major molecules in the coma of comet 67P/Churyumov–Gerasimenko, the target comet of the ongoing ESA Rosetta mission. Values are computed from Thermosphere Ionosphere Mesosphere Energy and Dynamics/Solar EUV Experiment solar EUV spectra for 2014 August 1, 2015 March 1, and for perihelion (2015 August, as based on prediction). From the varying total photoionization frequency of H{sub 2}O, as computed from 2014 August 1 to 2015 May 20, we derive a simple analytical expression for the electron-to-neutral number density ratio as a function of cometocentric and heliocentric distance. The underlying model assumes radial movement of the coma constituents and does not account for chemical loss or the presence of electric fields. We discuss various effects/processes that can cause deviations between values from the analytical expression and actual electron-to-neutral number density ratios. The analytical expression is thus not strictly meant as predicting the actual electron-to-neutral number density ratio, but is useful in comparisons with observations as an indicator of processes at play in the cometary coma.

Long-term trends in the total electron content

Czech Academy of Sciences Publication Activity Database

Laštovička, Jan; Urbář, Jaroslav; Kozubek, Michal

2017-01-01

Roč. 44, č. 16 (2017), s. 8186-8172 ISSN 0094-8276 R&D Projects: GA ČR(CZ) GA15-03909S Institutional support: RVO:68378289 Keywords : total electron content * long-term trend * solar control Subject RIV: DG - Athmosphere Sciences, Meteorology OBOR OECD: Climatic research Impact factor: 4.253, year: 2016 http://onlinelibrary.wiley.com/doi/10.1002/2017GL075063/full

Dissipation Effects in Schrödinger and Quantal Density Functional Theories of Electrons in an Electromagnetic Field

Directory of Open Access Journals (Sweden)

Xiao-Yin Pan

2018-03-01

Full Text Available Dissipative effects arise in an electronic system when it interacts with a time-dependent environment. Here, the Schrödinger theory of electrons in an electromagnetic field including dissipative effects is described from a new perspective. Dissipation is accounted for via the effective Hamiltonian approach in which the electron mass is time-dependent. The perspective is that of the individual electron: the corresponding equation of motion for the electron or time-dependent differential virial theorem—the ‘Quantal Newtonian’ second law—is derived. According to the law, each electron experiences an external field comprised of a binding electric field, the Lorentz field, and the electromagnetic field. In addition, there is an internal field whose components are representative of electron correlations due to the Pauli exclusion principle and Coulomb repulsion, kinetic effects, and density. There is also an internal contribution due to the magnetic field. The response of the electron is governed by the current density field in which a damping coefficient appears. The law leads to further insights into Schrödinger theory, and in particular the intrinsic self-consistent nature of the Schrödinger equation. It is proved that in the presence of dissipative effects, the basic variables (gauge-invariant properties, knowledge of which determines the Hamiltonian are the density and physical current density. Finally, a local effective potential theory of dissipative systems—quantal density functional theory (QDFT—is developed. This constitutes the mapping from the interacting dissipative electronic system to one of noninteracting fermions possessing the same dissipation and basic variables. Attributes of QDFT are the separation of the electron correlations due to the Pauli exclusion principle and Coulomb repulsion, and the determination of the correlation contributions to the kinetic energy. Hence, Schrödinger theory in conjunction with QDFT

H{sub {beta}} Stark broadening in cold plasmas with low electron densities calibrated with Thomson scattering

Energy Technology Data Exchange (ETDEWEB)

Palomares, J.M., E-mail: j.m.palomares-linares@tue.nl [Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Huebner, S.; Carbone, E.A.D.; Vries, N. de; Veldhuizen, E.M. de [Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Sola, A.; Gamero, A. [Departamento de Fisica, Universidad de Cordoba, Campus de Rabanales, ed. C-2, 14071 Cordoba (Spain); Mullen, J.J.A.M. van der [Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven (Netherlands)

2012-07-15

In the present work Stark broadening measurements have been carried out on low electron density (n{sub e} < 5{center_dot}10{sup 19} m{sup -3}) and (relatively) low gas temperature (T{sub g} < 1100 K) argon-hydrogen plasma, under low-intermediate pressure conditions (3 mbar-40 mbar). A line fitting procedure is used to separate the effects of the different broadening mechanisms (e.g. Doppler and instrumental broadening) from the Stark broadening. A Stark broadening theory is extrapolated to lower electron density values, below its theoretical validity regime. Thomson scattering measurements are used to calibrate and validate the procedure. The results show an agreement within 20%, what validates the use of this Stark broadening method under such low density conditions. It is also found that Stark broadened profiles cannot be assumed to be purely Lorentzian. Such an assumption would lead to an underestimation of the electron density. This implies that independent information on the gas temperature is needed to find the correct values of n{sub e}. - Highlights: Black-Right-Pointing-Pointer Stark broadening measurements at low density and temperature conditions Black-Right-Pointing-Pointer Calibration with Thomson scattering Black-Right-Pointing-Pointer Indications of the non-Lorentzian shape of the Stark broadening Black-Right-Pointing-Pointer Impossibility of simultaneous diagnostic of gas temperature and electron density.

Feasibility study of the plasma electron density measurement by electromagnetic radiation from the laser-driven plasma wave

International Nuclear Information System (INIS)

Jang, D G; Kim, J J; Suk, H; Hur, M S

2012-01-01

When an intense laser beam is focused in a plasma, a plasma wake wave is generated and the oscillatary motion of the plasma electrons produces a strong electromagnetic wave by a Cherenkov-like process. Spectrum of the genetated electromagnetic wave has dependence on the plasma density. In this paper, we propose to use the emitted electromagnetic radiation for plasma diagnostic, which may provide an accurate information for local electron densities of the plasma and will be very useful for three-dimensional plasma density profiles by changing the focal point location of the laser beam. Two-dimensional (2-D) particle-in-cell (PIC) simulation is used to study the correlation between the spectrum of the emitted radiation and plasma density, and the results demonstrate that this method is promising for the electron density measurement in the plasma.

Mechanisms of the electron density depletion in the SAR arc region

OpenAIRE

A. V. Pavlov

1996-01-01

This study compares the measurements of electron density and temperature and the integral airglow intensity at 630 nm in the SAR arc region and slightly south of this (obtained by the Isis 2 spacecraft during the 18 December 1971 magnetic storm), with the model results obtained using the time dependent one-dimensional mathematical model of the Earth's ionosphere and plasmasphere. The explicit expression in the third Enskog approximation for the electron thermal conductivity coefficient i...

Relativistic total and differential cross section proton--proton electron--positron pair production calculation

International Nuclear Information System (INIS)

Rubinstein, J.E.

1976-01-01

Circle Feynman diagrams for a specific permutation of variables along with their corresponding algebraic expressions are presented to evaluate [H] 2 for proton-proton electron-positron pair production. A Monte Carlo integration technique is introduced and is used to set up the multiple integral expression for the total pair production cross section. The technique is first applied to the Compton scattering problem and then to an arbitrary multiple integral. The relativistic total cross section for proton-proton electron-positron pair production was calculated for eight different values of incident proton energy. A variety of differential cross sections were calculated for the above energies. Angular differential cross section distributions are presented for the electron, positron, and proton. Invariant mass differential cross section distributions are done both with and without the presence of [H] 2 . Both WGHT and log 10 (TOTAL) distributions were also obtained. The general behavioral trends of the total and differential cross sections for proton-proton electron-positron pair production are presented. The range of validity for this calculation is from 0 to about 200 MeV

Total and ionization cross sections of electron scattering by fluorocarbons

International Nuclear Information System (INIS)

Antony, B K; Joshipura, K N; Mason, N J

2005-01-01

Electron impact total cross sections (50-2000 eV) and total ionization cross sections (threshold to 2000 eV) are calculated for typical plasma etching molecules CF 4 , C 2 F 4 , C 2 F 6 , C 3 F 8 and CF 3 I and the CF x (x 1-3) radicals. The total elastic and inelastic cross sections are determined in the spherical complex potential formalism. The sum of the two gives the total cross section and the total inelastic cross section is used to calculate the total ionization cross sections. The present total and ionization cross sections are found to be consistent with other theories and experimental measurements, where they exist. Our total cross section results for CF x (x = 1-3) radicals presented here are first estimates on these species

Measuring Density Profiles of Electrons and Heavy Particles in a Stable Axially Blown Arc

Science.gov (United States)

Carstensen, J.; Stoller, P.; Galletti, B.; Doiron, C. B.; Sokolov, A.

2017-08-01

Two-color spatial carrier wave interferometry employing pulsed 532- and 671-nm lasers is used to measure the electron-density and heavy-particle-density profiles in the stagnation point of a stable, axially blown arc in argon for currents of 50 to 200 A and stagnation point pressures of 0.2 to 16 bar. This technique takes advantage of the fact that the free-electron contribution to the refractive index depends strongly on the wavelength, while that of the heavy particles does not. The high spatial resolution achieved allows the hot core of the arc to be readily distinguished from the surrounding boundary layer. A custom-built test device is used to ensure flow conditions that lead to a stable, axisymmetric arc; this permits the reconstruction of the density and temperature profiles using a single projection (interferometric image) of the refractive-index distribution through the arc (at two wavelengths). The arc radius determined from the heavy-particle density decreases with increasing stagnation pressure and increases with the current. These measurements are in good agreement with a simple axially blown arc model taking into account Ohmic heating, radiation losses, and enthalpy flow for core temperatures of approximately 16 500 K. The measured electron density at the center of the arc agrees well with a prediction based on local thermodynamic equilibrium.

Total-dielectric-function approach to electron and phonon response in solids

International Nuclear Information System (INIS)

Penn, D.R.; Lewis, S.P.; Cohen, M.L.

1995-01-01

The interaction between two test charges, the response of a solid to an external field, and the normal modes of the solid can be determined from a total dielectric function that includes both electronic and lattice polarizabilities as well as local-field effects. In this paper we examine the relationship between superconductivity and the stability of a solid and derive sum rules for the electronic part of the dielectric function. It is also shown that there are negative eigenvalues of the total static dielectric function, implying the possibility of an attractive interaction between test charges. An attractive interaction is required for superconductivity

Ionization of molecules by electron impact: Differential and total cross sections

Energy Technology Data Exchange (ETDEWEB)

Rezkallah, Z. [Laboratoire de Physique Quantique et Systemes Dynamiques, Departement de physique, Faculte des sciences, Universite Ferhat Abbas, Setif 19000 (Algeria); Houamer, S., E-mail: hosalim@yahoo.com [Laboratoire de Physique Quantique et Systemes Dynamiques, Departement de physique, Faculte des sciences, Universite Ferhat Abbas, Setif 19000 (Algeria); Dal Cappello, C. [Laboratoire de Physique Moleculaire et des Collisions, Universite Paul Verlaine-Metz, Institut de Physique, 1 Boulevard Arago, 57078 Metz Cedex 3 (France); Charpentier, I. [Laboratoire de Physique et Mecanique des Materiaux, Universite Paul Verlaine-Metz UMR 7554, ile du Saulcy, 57045 Metz Cedex 1 (France); Roy, A.C. [School of Mathematical Sciences, Ramakrishna Mission Vivekananda University, Belur Math 711202, West Bengal (India)

2011-12-01

The first Born approximation is applied to calculate differential and total ionization cross sections of a set of small molecules, namely, HF, H{sub 2}O, NH{sub 3} and CH{sub 4} by electron impact. The molecular targets are described by single center molecular orbitals consisting of linear combinations of atomic orbitals (MO-LCAO). First, we have considered electron momentum spectroscopy experiments to check the accuracy of the wave functions. The triply, doubly, singly differential and total cross sections are then evaluated in a systematic way for a variety of kinematics. The results are discussed and compared with experiments.

Stopping power of degenerate electron liquid at metallic densities

International Nuclear Information System (INIS)

Tanaka, Shigenori; Ichimaru, Setsuo

1985-01-01

We calculate the stopping power of the degenerate electron liquid at metallic densities in the dielectric formalism. The strong Coulomb-coupling effects beyond the random-phase approximation are taken into account through the static and dynamic local-field corrections. It is shown that those strong-coupling and dynamic effects act to enhance the stopping power substantially in the low-velocity regime, leading to an improved agreement with experimental data. (author)

Temporal evolutions of electron temperature and density of turbulently-heated tokamak plasmas in TRIAM-1

Energy Technology Data Exchange (ETDEWEB)

Hiraki, N; Nakamura, K; Nakamura, Y; Itoh, S [Kyushu Univ., Fukuoka (Japan). Research Inst. for Applied Mechanics

1981-04-01

The temporal evolution of the electron temperature and density are measured in a turbulent heating experiment in TRIAM-1. Skin-like profiles of the electron temperature and density are clearly observed. The anomality in the electrical resistivity of the plasma in this skin-layer is estimated, and the plasma heating in this skin-layer is regarded as being due to anomalous joule heating arising from this anomalous resistivity. The ratio of drift velocity to electron thermal velocity in the layer is also calculated, and it is shown that the conditions needed to make the current-driven ion-acoustic instability triggerable are satisfied.

Uniform electron gases. III. Low-density gases on three-dimensional spheres

Energy Technology Data Exchange (ETDEWEB)

Agboola, Davids; Knol, Anneke L.; Gill, Peter M. W., E-mail: peter.gill@anu.edu.au; Loos, Pierre-François, E-mail: pf.loos@anu.edu.au [Research School of Chemistry, Australian National University, Canberra ACT 2601 (Australia)

2015-08-28

By combining variational Monte Carlo (VMC) and complete-basis-set limit Hartree-Fock (HF) calculations, we have obtained near-exact correlation energies for low-density same-spin electrons on a three-dimensional sphere (3-sphere), i.e., the surface of a four-dimensional ball. In the VMC calculations, we compare the efficacies of two types of one-electron basis functions for these strongly correlated systems and analyze the energy convergence with respect to the quality of the Jastrow factor. The HF calculations employ spherical Gaussian functions (SGFs) which are the curved-space analogs of Cartesian Gaussian functions. At low densities, the electrons become relatively localized into Wigner crystals, and the natural SGF centers are found by solving the Thomson problem (i.e., the minimum-energy arrangement of n point charges) on the 3-sphere for various values of n. We have found 11 special values of n whose Thomson sites are equivalent. Three of these are the vertices of four-dimensional Platonic solids — the hyper-tetrahedron (n = 5), the hyper-octahedron (n = 8), and the 24-cell (n = 24) — and a fourth is a highly symmetric structure (n = 13) which has not previously been reported. By calculating the harmonic frequencies of the electrons around their equilibrium positions, we also find the first-order vibrational corrections to the Thomson energy.

Pressure dependence of electron density distribution and d-p-π hybridization in titanate perovskite ferroelectrics

Science.gov (United States)

Yamanaka, Takamitsu; Nakamoto, Yuki; Ahart, Muhtar; Mao, Ho-kwang

2018-04-01

Electron density distributions of PbTi O3 , BaTi O3 , and SrTi O3 were determined by synchrotron x-ray powder diffraction up to 55 GPa at 300 K and ab initio quantum chemical molecular orbital (MO) calculations, together with a combination of maximum entropy method calculations. The intensity profiles of Bragg peaks reveal split atoms in both ferroelectric PbTi O3 and BaTi O3 , reflecting the two possible positions occupied by the Ti atom. The experimentally obtained atomic structure factor was used for the determination of the deformation in electron density and the d-p-π hybridization between dx z (and dy z) of Ti and px (and py) of O in the Ti-O bond. Ab initio MO calculations proved the change of the molecular orbital coupling and of Mulliken charges with a structure transformation. The Mulliken charge of Ti in the Ti O6 octahedron increased in the ionicity with increasing pressure in the cubic phase. The bonding nature is changed with a decrease in the hybridization of the Ti-O bond and the localization of the electron density with increasing pressure. The hybridization decreases with pressure and disappears in the cubic paraelectric phase, which has a much more localized electron density distribution.

Critic: a new program for the topological analysis of solid-state electron densities

Science.gov (United States)

Otero-de-la-Roza, A.; Blanco, M. A.; Pendás, A. Martín; Luaña, Víctor

2009-01-01

In this paper we introduce CRITIC, a new program for the topological analysis of the electron densities of crystalline solids. Two different versions of the code are provided, one adapted to the LAPW (Linear Augmented Plane Wave) density calculated by the WIEN2K package and the other to the ab initio Perturbed Ion ( aiPI) density calculated with the PI7 code. Using the converged ground state densities, CRITIC can locate their critical points, determine atomic basins and integrate properties within them, and generate several graphical representations which include topological atomic basins and primary bundles, contour maps of ρ and ∇ρ, vector maps of ∇ρ, chemical graphs, etc. Program summaryProgram title: CRITIC Catalogue identifier: AECB_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECB_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GPL, version 3 No. of lines in distributed program, including test data, etc.: 1 206 843 No. of bytes in distributed program, including test data, etc.: 12 648 065 Distribution format: tar.gz Programming language: FORTRAN 77 and 90 Computer: Any computer capable of compiling Fortran Operating system: Unix, GNU/Linux Classification: 7.3 Nature of problem: Topological analysis of the electron density in periodic solids. Solution method: The automatic localization of the electron density critical points is based on a recursive partitioning of the Wigner-Seitz cell into tetrahedra followed by a Newton search from significant points on each tetrahedra. Plotting of and integration on the atomic basins is currently based on a new implementation of Keith's promega algorithm. Running time: Variable, depending on the task. From seconds to a few minutes for the localization of critical points. Hours to days for the determination of the atomic basins shape and properties. Times correspond to a typical 2007 PC.

X-ray electron density investigation of chemical bonding in van der Waals materials

Science.gov (United States)

Kasai, Hidetaka; Tolborg, Kasper; Sist, Mattia; Zhang, Jiawei; Hathwar, Venkatesha R.; Filsø, Mette Ø.; Cenedese, Simone; Sugimoto, Kunihisa; Overgaard, Jacob; Nishibori, Eiji; Iversen, Bo B.

2018-03-01

Van der Waals (vdW) solids have attracted great attention ever since the discovery of graphene, with the essential feature being the weak chemical bonding across the vdW gap. The nature of these weak interactions is decisive for many extraordinary properties, but it is a strong challenge for current theory to accurately model long-range electron correlations. Here we use synchrotron X-ray diffraction data to precisely determine the electron density in the archetypal vdW solid, TiS2, and compare the results with density functional theory calculations. Quantitative agreement is observed for the chemical bonding description in the covalent TiS2 slabs, but significant differences are identified for the interactions across the gap, with experiment revealing more electron deformation than theory. The present data provide an experimental benchmark for testing theoretical models of weak chemical bonding.

Nonequilibrium, steady-state electron transport with N-representable density matrices from the anti-Hermitian contracted Schrödinger equation

Science.gov (United States)

Rothman, Adam E.; Mazziotti, David A.

2010-03-01

We study molecular conductivity for a one-electron, bath-molecule-bath model Hamiltonian. The primary quantum-mechanical variable is the one-electron reduced density matrix (1-RDM). By identifying similarities between the steady-state Liouville equation and the anti-Hermitian contracted Schrödinger equation (ACSE) [D. A. Mazziotti, Phys. Rev. A 75, 022505 (2007)], we develop a way of enforcing nonequilibrium, steady-state behavior in a time-independent theory. Our results illustrate the relationship between current and voltage in molecular junctions assuming that the total number of electrons under consideration can be fixed across all driving potentials. The impetus for this work is a recent study by Subotnik et al. that also uses the 1-RDM to study molecular conductivity under different assumptions regarding the total number of electrons [J. E. Subotnik et al., J. Chem. Phys. 130, 144105 (2009)]. Unlike calculations in the previous study, our calculations result in 1-RDMs that are fully N-representable. The present work maintains N-representability through a bath-bath mixing that is related to a time-independent relaxation of the baths in the absence of the molecule, as governed by the ACSE. A lack of N-representability can be important since it corresponds to occupying energy states in the molecule or baths with more than one electron or hole (the absence of an electron) in violation of the Pauli principle. For this reason the present work may serve as an important, albeit preliminary, step in designing a 2-RDM/ACSE method for studying steady-state molecular conductivity with an explicit treatment of electron correlation.

Development of D-region electron and ion densities under various auroral conditions during the Energy Budget Campaign (EBC)

International Nuclear Information System (INIS)

Brekke, A.; Holt, O.; Friedrich, M.; Hansen, T.; Stauning, P.; Thrane, E.V.

1985-01-01

D-region electron density profiles and time variations were obtained during the Energy Budget Campaign 1980 by a partial reflection radar at Ramfjordmoen, Tromso, located between the rocket ranges at Andoya and Kiruna. The observations were made under various geophysical conditions which are illustrated by riometer observations. The partial reflection measurements indicate that the rockets were launched into a relatively stable D-region on two occasions, while it was somewhat more disturbed on the third. A comparison between the electron density profiles derived by the partial reflection technique and rocket borne probes and Faraday rotation experiments does indicate fair agreement during the quiet conditions, but relatively large discrepancies during disturbed conditions. Simultaneously derived electron density profiles, by use of the Faraday technique, and ion density profiles, by gridded electrostatic spheres mounted on the rocket payload, have made it possible to estimate the negative ion to electron density ratio lambda versus height. These values of lambda are within the range of model calculations. (author)

Polar observations of electron density distribution in the Earth’s magnetosphere. 2. Density profiles

Directory of Open Access Journals (Sweden)

H. Laakso

2002-11-01

Full Text Available Using spacecraft potential measurements of the Polar electric field experiment, we investigate electron density variations of key plasma regions within the magnetosphere, including the polar cap, cusp, trough, plasmapause, and auroral zone. The statistical results were presented in the first part of this study, and the present paper reports detailed structures revealed by individual satellite passes. The high-altitude (> 3 RE polar cap is generally one of the most tenuous regions in the magnetosphere, but surprisingly, the polar cap boundary does not appear as a steep density decline. At low altitudes (1 RE in summer, the polar densities are very high, several 100 cm-3 , and interestingly, the density peaks at the central polar cap. On the noonside of the polar cap, the cusp appears as a dense, 1–3° wide region. A typical cusp density above 4 RE distance is between several 10 cm-3 and a few 100 cm-3 . On some occasions the cusp is crossed multiple times in a single pass, simultaneously with the occurrence of IMF excursions, as the cusp can instantly shift its position under varying solar wind conditions, similar to the magnetopause. On the nightside, the auroral zone is not always detected as a simple density cavity. Cavities are observed but their locations, strengths, and sizes vary. Also, the electric field perturbations do not necessarily overlap with the cavities: there are cavities with no field disturbances, as well as electric field disturbances observed with no clear cavitation. In the inner magnetosphere, the density distributions clearly show that the plasmapause and trough densities are well correlated with geomagnetic activity. Data from individual orbits near noon and midnight demonstrate that at the beginning of geomagnetic disturbances, the retreat speed of the plasmapause can be one L-shell per hour, while during quiet intervals the plasmapause can expand anti-earthward at the same speed. For the trough region, it is found

Role of substituents on the reactivity and electron density profile of ...

Indian Academy of Sciences (India)

In addition, the possible strength of interaction of these ligands ... The measure of some important electronic properties such as .... contributes to the lowering of the total binding energy ... ties like ionization energies and electron affinities, etc.

2nd derivatives of the electronic energy in density functional theory

Energy Technology Data Exchange (ETDEWEB)

Dam, H. van

2001-08-01

This document details the equations needed to implement the calculation of vibrational frequencies within the density functional formalism of electronic structure theory. This functionality has been incorporated into the CCP1 DFT module and the required changes to the application programmers interface are outlined. Throughout it is assumed that an implementation of Hartree-Fock vibrational frequencies is available that can be modified to incorporate the density functional formalism. Employing GAMESS-UK as an example the required changes to the Hartree-Fock code are outlined. (author)

Spectroscopic measurements of the density and electronic temperature at the plasma edge in Tore Supra

International Nuclear Information System (INIS)

Lediankine, A.

1996-01-01

The profiles of temperature and electronic density at the plasma edge are important to study the wall-plasma interaction and the radiative layers in the Tokamak plasmas. The laser ablation technique of the lithium allows to measure the profile of electronic density. To measure the profile of temperature, it has been used for the first time, the injection of a fluorine neutral atoms beam. The experiments, the results are described in this work. (N.C.)

Temporal evolutions of electron temperature and density with edge localized mode in the JT-60U divertor plasma

International Nuclear Information System (INIS)

Nakano, T; Kubo, H; Asakura, N

2010-01-01

From the intensity ratios of the three He I lines measured at 20 kHz, the temporal evolutions of the electron temperature and density during and after the power and the particle flow into the divertor plasma caused by edge localized modes are determined. The electron temperature increases from 70 eV to 80 eV with increasing D α intensity. Then, at the peak of D α intensity, the electron temperature starts decreasing down to 60 eV. The electron density increases from 0.1 x 10 19 m -3 to 0.3 x 10 19 m -3 with increasing D α intensity, and then starts to decrease more gradually compared with the electron temperature after the peak of D α intensity. It is interpreted that the increase of the electron temperature is ascribed to the power and the particle flow into the divertor plasma, and that the decrease of the electron temperature and the increase of the electron density are ascribed to the ionization of the recycled neutrals, which consumes the electron energy and produces electrons.

Interaction of the modulated electron beam with inhomogeneous plasma: plasma density profile deformation and langmuir waves excitation

International Nuclear Information System (INIS)

Anisimov, I.O.; Kelnyk, O.I.; Soroka, S.V.; Siversky, T.V.

2005-01-01

Nonlinear deformation of the initially linear plasma density profile due to the modulated electron beam is studied via computer simulation. In the initial time period the field slaves to the instantaneous profile of the plasma density. Langmuir waves excitation is suppressed by the density profile deformation. The character of the plasma density profile deformation for the late time period depends significantly on the plasma properties. Particularly, for plasma with hot electrons quasi-periodic generation of ion-acoustic pulses takes place in the vicinity of the initial point of plasma resonance

Fast electron current density profile and diffusion studies during LHCD in PBX-M

International Nuclear Information System (INIS)

Jones, S.E.; Kesner, J.; Luckhardt, S.; Paoletti, F.

1993-08-01

Successful current profile control experiments using lower hybrid current drive (LCHD) clearly require knowledge of (1) the location of the driven fast electrons and (2) the ability to maintain that location from spreading due to radial diffusion. These issues can be addressed by examining the data from the hard x-ray camera on PBX-M, a unique diagnostic producing two-dimensional, time resolved tangential images of fast electron bremsstrahlung. Using modeling, these line-of-sight images are inverted to extract a radial fast electron current density profile. We note that ''hollow'' profiles have been observed, indicative of off-axis current drive. These profiles can then be used to calculate an upper bound for an effective fast electron diffusion constant: assuming an extremely radially narrow lower hybrid absorption profile and a transport model based on Rax and Moreau, a model fast electron current density profile is calculated and compared to the experimentally derived profile. The model diffusion constant is adjusted until a good match is found. Applied to steady-state quiescent modes on PBX-M, we obtain an upper limit for an effective diffusion constant of about D*=1.1 m 2 /sec

Real-time electron density measurements from Cotton-Mouton effect in JET machine

International Nuclear Information System (INIS)

Brombin, M.; Boboc, A.; Zabeo, L.; Murari, A.

2008-01-01

Real-time density profile measurements are essential for advanced fusion tokamak operation and interferometry is a proven method for this task. Nevertheless, as a consequence of edge localized modes, pellet injections, fast density increases, or disruptions, the interferometer is subject to fringe jumps, which produce loss of the signal preventing reliable use of the measured density in a real-time feedback controller. An alternative method to measure the density is polarimetry based on the Cotton-Mouton effect, which is proportional to the line-integrated electron density. A new analysis approach has been implemented and tested to verify the reliability of the Cotton-Mouton measurements for a wide range of plasma parameters and to compare the density evaluated from polarimetry with that from interferometry. The density measurements based on polarimetry are going to be integrated in the real-time control system of JET since the difference with the interferometry is within one fringe for more than 90% of the cases.

Construction of New Electronic Density Functionals with Error Estimation Through Fitting

DEFF Research Database (Denmark)

Petzold, V.; Bligaard, T.; Jacobsen, K. W.

2012-01-01

We investigate the possibilities and limitations for the development of new electronic density functionals through large-scale fitting to databases of binding energies obtained experimentally or through high-quality calculations. We show that databases with up to a few hundred entries allow for u...

Observations in equatorial anomaly region of total electron content enhancements and depletions

Directory of Open Access Journals (Sweden)

N. Dashora

2005-10-01

Full Text Available A GSV 4004A GPS receiver has been operational near the crest of the equatorial anomaly at Udaipur, India for some time now. The receiver provides the line-of-sight total electron content (TEC, the phase and amplitude scintillation index, σ_φ and S₄, respectively. This paper presents the first results on the nighttime TEC depletions associated with the equatorial spread F in the Indian zone. The TEC depletions are found to be very well correlated with the increased S₄ index. A new feature of low-latitude TEC is also reported, concerning the observation of isolated and localized TEC enhancements in the nighttime low-latitude ionosphere. The TEC enhancements are not correlated with the S₄ index. The TEC enhancements have also been observed along with the TEC depletions. The TEC enhancements have been interpreted as the manifestation of the plasma density enhancements reported by Le et al. (2003.

Keywords. Ionosphere (Equatorial ionosphere; Ionospheric irregularities