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Sample records for equivalent electron density

  1. Density matrix in quantum electrodynamics, equivalence principle and Hawking effect

    International Nuclear Information System (INIS)

    Frolov, V.P.; Gitman, D.M.

    1978-01-01

    The expression for the density matrix describing particles of one sort (electrons or positrons) created by an external electromagnetic field from the vacuum is obtained. The explicit form of the density matrix is found for the case of constant and uniform electric field. Arguments are given for the presence of a connection between the thermal nature of the density matrix describing particles created by the gravitational field of a black hole and the equivalence principle. (author)

  2. 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

  3. Effective atomic numbers, electron densities, and tissue equivalence of some gases and mixtures for dosimetry of radiation detectors

    Directory of Open Access Journals (Sweden)

    Singh Vishwanath P.

    2012-01-01

    Full Text Available Total mass attenuation coefficients, µm, effective atomic number, Zeff, and effective electron density, Neff, of different gases - carbon dioxide, methane, acetylene, propane, butane, and pentane used in radiation detectors, have been calculated for the photon energy of 1 keV to 100 GeV. Each gas has constant Zeff values between 0.10 to 10 MeV photon energies; however, these values are way far away from ICRU tissue. Carbon dioxide gas shows the closest tissue equivalence in the entire photon energy spectrum. Relative tissue equivalences of the mixtures of gases with respect to ICRU tissue are in the range of 0.998-1.041 for air, argon (4.5% + methane (95.5%, argon (0.5% + carbon dioxide (99.5%, and nitrogen (5% + methane (7% + carbon dioxide (88%. The gas composition of xenon (0.5% + carbon dioxide (99.5% shows 1.605 times higher tissue equivalence compared to the ICRU tissue. The investigated photon interaction parameters are useful for exposure and energy absorption buildup factors calculation and design, and fabrication of gaseous detectors for ambient radiation measurement by the Geiger-Muller detector, ionization chambers and proportional counters.

  4. 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

  5. The analysis for energy distribution and biological effects of the clusters from electrons in the tissue equivalent material

    International Nuclear Information System (INIS)

    Zhang Wenzhong; Guo Yong; Luo Yisheng; Wang Yong

    2004-01-01

    Objective: To study energy distribution of the clusters from electrons in the tissue equivalent material, and discuss the important aspects of these clusters on inducing biological effects. Methods: Based on the physical mechanism for electrons interacting with tissue equivalent material, the Monte Carlo (MC) method was used. The electron tracks were lively simulated on an event-by-event (ionization, excitation, elastic scattering, Auger electron emission) basis in the material. The relevant conclusions were drawn from the statistic analysis of these events. Results: The electrons will deposit their energy in the form (30%) of cluster in passing through tissue equivalent material, and most clusters (80%) have the energy amount of more than 50 eV. The cluster density depends on its diameter and energy of electrons, and the deposited energy in the cluster depends on the type and energy of radiation. Conclusion: The deposited energy in cluster is the most important factor in inducing all sort of lesions on DNA molecules in tissue cells

  6. 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.

  7. 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

  8. 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)

  9. 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).

  10. 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.

  11. 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.

  12. Evaluation of two water-equivalent phantom materials for output calibration of photon and electron beams

    International Nuclear Information System (INIS)

    Liu Lizhong; Prasad, Satish C.; Bassano, Daniel A.

    2003-01-01

    Two commercially available water-equivalent solid phantom materials were evaluated for output calibration in both photon (6-15 MV) and electron (6-20 MeV) beams. The solid water 457 and virtual water materials have the same chemical composition but differ in manufacturing process and density. A Farmer-type ionization chamber was used for measuring the output of the photon beams at 5- and 10-cm depth and electron beams at maximum buildup depth in the solid phantoms and in natural water. The water-equivalency correction factor for the solid materials is defined as the ratio of the chamber reading in natural water to that in the solid at the same linear depth. For photon beams, the correction factor was found to be independent of depth and was 0.987 and 0.993 for 6- and 15-MV beams, respectively, for solid water. For virtual water, the corresponding correction factors were 0.993 and 0.998 for 6- and 15-MV beams, respectively. For electron beams, the correction factors ranged from 1.013 to 1.007 for energies of 6 to 20 MeV for both solid materials. This indicated that the water-equivalency of these materials is within ± 1.3%, making them suitable substitutes for natural water in both photon and electron beam output measurements over a wide energy range. These correction factors are slightly larger than the manufacturers' advertised values (± 1.0% for solid water and ± 0.5% for virtual water). We suggest that these corrections are large enough in most cases and should be applied in the calculation of beam outputs

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

    Science.gov (United States)

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

    2011-08-28

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

  14. Water equivalence of polymer gel dosimeters

    International Nuclear Information System (INIS)

    Sellakumar, P.; James Jebaseelan Samuel, E.; Supe, Sanjay S.

    2007-01-01

    To evaluate the water equivalence and radiation transport properties of polymer gel dosimeters over the wide range of photon and electron energies 14 different types of polymer gels were considered. Their water equivalence was evaluated in terms of effective atomic number (Z eff ), electron density (ρ e ), photon mass attenuation coefficient (μ/ρ), photon mass energy absorption coefficient (μ en /ρ) and total stopping power (S/ρ) tot of electrons using the XCOM and the ESTAR database. The study showed that the effective atomic number of polymer gels were very close ( en /ρ for all polymer gels were in close agreement ( tot of electrons in polymer gel dosimeters were within 1% agreement with that of water. From the study we conclude that at lower energy (<80keV) the polymer gel dosimeters cannot be considered water equivalent and study has to be carried out before using the polymer gel for clinical application

  15. 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.

  16. Equivalence of electronic and mechanical stresses in structural phase stabilization: A case study of indium wires on Si(111)

    Science.gov (United States)

    Kim, Sun-Woo; Kim, Hyun-Jung; Ming, Fangfei; Jia, Yu; Zeng, Changgan; Cho, Jun-Hyung; Zhang, Zhenyu

    2015-05-01

    It was recently proposed that the stress state of a material can also be altered via electron or hole doping, a concept termed electronic stress (ES), which is different from the traditional mechanical stress (MS) due to lattice contraction or expansion. Here we demonstrate the equivalence of ES and MS in structural stabilization, using In wires on Si(111) as a prototypical example. Our systematic density-functional theory calculations reveal that, first, for the same degrees of carrier doping into the In wires, the ES of the high-temperature metallic 4 ×1 structure is only slightly compressive, while that of the low-temperature insulating 8 ×2 structure is much larger and highly anisotropic. As a consequence, the intrinsic energy difference between the two phases is significantly reduced towards electronically phase-separated ground states. Our calculations further demonstrate quantitatively that such intriguing phase tunabilities can be achieved equivalently via lattice-contraction induced MS in the absence of charge doping. We also validate the equivalence through our detailed scanning tunneling microscopy experiments. The present findings have important implications for understanding the underlying driving forces involved in various phase transitions of simple and complex systems alike.

  17. Equation satisfied by electron-electron mutual Coulomb repulsion energy density functional

    OpenAIRE

    Joubert, Daniel P.

    2011-01-01

    The electron-electron mutual Coulomb repulsion energy density functional satisfies an equation that links functionals and functional derivatives at N-electron and (N-1)-electron densities for densities determined from the same adiabatic scaled external potential for the N-electron system.

  18. Idempotent Dirac density matrix for ten-electron central field inhomogeneous electron liquids in terms of electron- and kinetic energy-densities

    International Nuclear Information System (INIS)

    March, N.H.

    2006-08-01

    A differential equation for the Dirac density matrix γ(r, r'), given ground-state electron- and kinetic energy-densities, has been derived by March and Suhai for one- and two-level occupancy. For ten-electron spin-compensated spherical systems, it is shown here that γ ≡ γ[ρ, t g ] where ρ and t g are electron- and kinetic energy-densities. The philosophy of March and Suhai is confirmed beyond two-level filling. An important byproduct of the present approach is an explicit expression for the one-body potential of DFT in terms of the p-shell electron density. (author)

  19. Anomalous evolution of Ar metastable density with electron density in high density Ar discharge

    International Nuclear Information System (INIS)

    Park, Min; Chang, Hong-Young; You, Shin-Jae; Kim, Jung-Hyung; Shin, Yong-Hyeon

    2011-01-01

    Recently, an anomalous evolution of argon metastable density with plasma discharge power (electron density) was reported [A. M. Daltrini, S. A. Moshkalev, T. J. Morgan, R. B. Piejak, and W. G. Graham, Appl. Phys. Lett. 92, 061504 (2008)]. Although the importance of the metastable atom and its density has been reported in a lot of literature, however, a basic physics behind the anomalous evolution of metastable density has not been clearly understood yet. In this study, we investigated a simple global model to elucidate the underlying physics of the anomalous evolution of argon metastable density with the electron density. On the basis of the proposed simple model, we reproduced the anomalous evolution of the metastable density and disclosed the detailed physics for the anomalous result. Drastic changes of dominant mechanisms for the population and depopulation processes of Ar metastable atoms with electron density, which take place even in relatively low electron density regime, is the clue to understand the result.

  20. Tree-level equivalence between a Lorentz-violating extension of QED and its dual model in electron-electron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Toniolo, Giuliano R.; Fargnoli, H.G.; Brito, L.C.T. [Universidade Federal de Lavras, Departamento de Fisica, Caixa Postal 3037, Lavras, Minas Gerais (Brazil); Scarpelli, A.P.B. [Setor Tecnico-Cientifico, Departamento de Policia Federal, Sao Paulo (Brazil)

    2017-02-15

    S-matrix amplitudes for the electron-electron scattering are calculated in order to verify the physical equivalence between two Lorentz-breaking dual models. We begin with an extended Quantum Electrodynamics which incorporates CPT-even Lorentz-violating kinetic and mass terms. Then, in a process of gauge embedding, its gauge-invariant dual model is obtained. The physical equivalence of the two models is established at tree level in the electron-electron scattering and the unpolarized cross section is calculated up to second order in the Lorentz-violating parameter. (orig.)

  1. Tree-level equivalence between a Lorentz-violating extension of QED and its dual model in electron-electron scattering

    International Nuclear Information System (INIS)

    Toniolo, Giuliano R.; Fargnoli, H.G.; Brito, L.C.T.; Scarpelli, A.P.B.

    2017-01-01

    S-matrix amplitudes for the electron-electron scattering are calculated in order to verify the physical equivalence between two Lorentz-breaking dual models. We begin with an extended Quantum Electrodynamics which incorporates CPT-even Lorentz-violating kinetic and mass terms. Then, in a process of gauge embedding, its gauge-invariant dual model is obtained. The physical equivalence of the two models is established at tree level in the electron-electron scattering and the unpolarized cross section is calculated up to second order in the Lorentz-violating parameter. (orig.)

  2. 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.

  3. Transition densities with electron scattering

    International Nuclear Information System (INIS)

    Heisenberg, J.

    1985-01-01

    This paper reviews the ground state and transition charge densities in nuclei via electron scattering. Using electrons as a spectroscopic tool in nuclear physics, these transition densities can be determined with high precision, also in the nuclear interior. These densities generally ask for a microscopic interpretation in terms of contributions from individual nucleons. The results for single particle transitions confirm the picture of particle-phonon coupling. (Auth.)

  4. Changes in late-winter snowpack depth, water equivalent, and density in Maine, 1926-2004

    Science.gov (United States)

    Hodgkins, Glenn A.; Dudley, Robert W.

    2006-03-01

    Twenty-three snow-course sites in and near Maine, USA, with records spanning at least 50 years through to 2004 were tested for changes over time in snowpack depth, water equivalent, and density in March and April. Of the 23 sites, 18 had a significant decrease (Mann-Kendall test, p 1950s and 1960s, and densities peaked in the most recent decade. Previous studies in western North America also found a water-equivalent peak in the third quarter of the 20th century. Published in 2006 by John Wiley & Sons, Ltd.Received: 14 June 2005; Accepted: 7 October 2005

  5. Fingerprint-based structure retrieval using electron density.

    Science.gov (United States)

    Yin, Shuangye; Dokholyan, Nikolay V

    2011-03-01

    We present a computational approach that can quickly search a large protein structural database to identify structures that fit a given electron density, such as determined by cryo-electron microscopy. We use geometric invariants (fingerprints) constructed using 3D Zernike moments to describe the electron density, and reduce the problem of fitting of the structure to the electron density to simple fingerprint comparison. Using this approach, we are able to screen the entire Protein Data Bank and identify structures that fit two experimental electron densities determined by cryo-electron microscopy. Copyright © 2010 Wiley-Liss, Inc.

  6. Analysis of the half-projected Hartree--Fock function: density matrix, natural orbitals, and configuration interaction equivalence

    International Nuclear Information System (INIS)

    Smeyers, Y.G.; Delgado-Barrio, G.

    1976-01-01

    The half-projected Hartree--Fock function for singlet states (HPHF) is analyzed in terms of natural electronic configurations. For this purpose the HPHF spinless density matrix and its natural orbitals are first deduced. It is found that the HPHF function does not contain any contribution from odd-times excited configurations. It is seen in addition, in the case of the singlet ground states, this function is approximately equivalent to two closed-shell configurations, although the nature of the excited one depends on the nuclear geometry. An example is given in the case of the LiH ground state. Finally, the application of this model for studying systems of more than two atoms is criticized

  7. Computed tomography as a source of electron density information for radiation treatment planning

    International Nuclear Information System (INIS)

    Skrzynski, Witold; Slusarczyk-Kacprzyk, Wioletta; Bulski, Wojciech; Zielinska-Dabrowska, Sylwia; Wachowicz, Marta; Kukolowicz, Pawel F.

    2010-01-01

    Purpose: to evaluate the performance of computed tomography (CT) systems of various designs as a source of electron density (ρ el ) data for treatment planning of radiation therapy. Material and methods: dependence of CT numbers on relative electron density of tissue-equivalent materials (HU-ρ el relationship) was measured for several general-purpose CT systems (single-slice, multislice, wide-bore multislice), for radiotherapy simulators with a single-slice CT and kV CBCT (cone-beam CT) options, as well as for linear accelerators with kV and MV CBCT systems. Electron density phantoms of four sizes were used. Measurement data were compared with the standard HU-ρ el relationships predefined in two commercial treatment-planning systems (TPS). Results: the HU-ρ el relationships obtained with all of the general-purpose CT scanners operating at voltages close to 120 kV were very similar to each other and close to those predefined in TPS. Some dependency of HU values on tube voltage was observed for bone-equivalent materials. For a given tube voltage, differences in results obtained for different phantoms were larger than those obtained for different CT scanners. For radiotherapy simulators and for kV CBCT systems, the information on ρ el was much less precise because of poor uniformity of images. For MV CBCT, the results were significantly different than for kV systems due to the differing energy spectrum of the beam. Conclusion: the HU-ρ el relationships predefined in TPS can be used for general-purpose CT systems operating at voltages close to 120 kV. For nontypical imaging systems (e.g., CBCT), the relationship can be significantly different and, therefore, it should always be measured and carefully analyzed before using CT data for treatment planning. (orig.)

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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...

  13. Fractional equivalent Lagrangian densities for a fractional higher-order equation

    International Nuclear Information System (INIS)

    Fujioka, J

    2014-01-01

    In this communication we show that the equivalent Lagrangian densities (ELDs) of a fractional higher-order nonlinear Schrödinger equation with stable soliton-like solutions can be related in a hitherto unknown way. This new relationship is described in terms of a new fractional operator that includes both left- and right-sided fractional derivatives. Using this operator it is possible to generate new ELDs that contain different fractional parts, in addition to the already known ELDs, which only differ by a sum of first-order partial derivatives of two arbitrary functions. (fast track communications)

  14. 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.

  15. 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.

  16. 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...

  17. Density induced crossover of electron mobilities in fluid C3 hydrocarbons; liquid phase behavior

    International Nuclear Information System (INIS)

    Gee, N.; Freeman, G.R.

    1980-01-01

    At n = 2 x 10 20 mol/cm 3 in the saturated vapors, the density normalized mobility (μn) of electrons equalled 2.4 x 10 23 mol/cmVs in cyclopropane, 1.5 x 10 23 in propane and 5.4 x 10 22 in propene. In cyclopropane and propene μn decreased due to quasilocalization at n > 4 x 10 20 mol/cm 3 . In propane quasilocalization occurred at n > 8 x 10 20 mol/cm 3 . The more extensive quasilocalization in cyclopropane caused mobilities to be lower than those in propane at the same density when the densities were greater than 1.3 x 10 21 mol/cm 3 . In propylene, μn remained below those in the other compounds at all gas densities. In the liquid phase the mobilities were affected more by the changes of temperature than by those of density. The mobilities at a given temperature decreased in the order propane > propene > cyclopropane. It is curious that the electron traps are deeper in cyclopropane than in propene. The energies of both thermal and optical excitation of solvated electrons may be expressed by equations of the form E 0 = E(0) - aT over considerable ranges of temperature T. The thermal value of a/E(0) is 1.7 x 10 -3 K -1 in many hydrocarbons, estimated from the mobilities. The equivalent ratio of the optical parameters also equals 1.7 x 10 -3 K -1 in ethers and in ammonia. (author)

  18. 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....

  19. 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

  20. Personal dose equivalent conversion coefficients for electrons to 1 Ge V.

    Science.gov (United States)

    Veinot, K G; Hertel, N E

    2012-04-01

    In a previous paper, conversion coefficients for the personal dose equivalent, H(p)(d), for photons were reported. This note reports values for electrons calculated using similar techniques. The personal dose equivalent is the quantity used to approximate the protection quantity effective dose when performing personal dosemeter calibrations and in practice the personal dose equivalent is determined using a 30×30×15 cm slab-type phantom. Conversion coefficients to 1 GeV have been calculated for H(p)(10), H(p)(3) and H(p)(0.07) in the recommended slab phantom. Although the conversion coefficients were determined for discrete incident energies, analytical fits of the conversion coefficients over the energy range are provided using a similar formulation as in the photon results previously reported. The conversion coefficients for the personal dose equivalent are compared with the appropriate protection quantity, calculated according to the recommendations of the latest International Commission on Radiological Protection guidance. Effects of eyewear on H(p)(3) are also discussed.

  1. Analysis of Total Electron Content and Electron Density Profile during Different Geomagnetic Storms

    Science.gov (United States)

    Chapagain, N. P.; Rana, B.; Adhikari, B.

    2017-12-01

    Total Electron content (TEC) and electron density are the key parameters in the mitigation of ionospheric effects on radio communication system. Detail study of the TEC and electron density variations has been carried out during geomagnetic storms, with longitude and latitude, for four different locations: (13˚N -17˚N, 88˚E -98˚E), (30˚N-50˚N, 120˚W -95˚W), (29˚S-26˚S, 167˚W-163˚W,) and (60˚S-45˚S, 120˚W-105˚W) using the Gravity Recovery and Climate Experiment (GRACE) satellite observations. In order to find the geomagnetic activity, the solar wind parameters such as north-south component of inter planetary magnetic field (Bz), plasma drift velocity (Vsw), flow pressure (nPa), AE, Dst and Kp indices were obtained from Operating Mission as Nodes on the Internet (OMNI) web system. The data for geomagnetic indices have been correlated with the TEC and electron density for four different events of geomagnetic storms on 6 April 2008, 27 March 2008, 4 September 2008, and 11 October 2008. The result illustrates that the observed TEC and electron density profile significantly vary with longitudes and latitudes. This study illustrates that the values of TEC and the vertical electron density profile are influenced by the solar wind parameters associated with solar activities. The peak values of electron density and TEC increase as the geomagnetic storms become stronger. Similarly, the electron density profile varies with altitudes, which peaks around the altitude range of about 250- 350 km, depending on the strength of geomagnetic storms. The results clearly show that the peak electron density shifted to higher altitude (from about 250 km to 350 km) as the geomagnetic disturbances becomes stronger.

  2. 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)

  3. Water-equivalence of gel dosimeters for radiology medical imaging

    Energy Technology Data Exchange (ETDEWEB)

    Valente, M; Vedelago, J.; Perez, P. [Instituto de Fisica Enrique Gaviola - CONICET, Av. Medina Allende s/n, Ciudad Universitaria, X5000HUA, Cordoba (Argentina); Chacon, D.; Mattea, F. [Universidad Nacional de Cordoba, FAMAF, Laboratorio de Investigacion e Instrumentacion en Fisica Aplicada a la Medicina e Imagenes por Rayos X, Av. Medina Allende s/n, Ciudad Universitaria, X5000HUA Cordoba (Argentina); Velasquez, J., E-mail: valente@famaf.unc.edu.ar [ICOS Inmunomedica, Lago Puyehue 01745, Temuco (Chile)

    2017-10-15

    International dosimetry protocols are based on determinations of absorbed dose to water. Ideally, the phantom material should be water equivalent; that is, it should have the same absorption and scatter properties as water. This study presents theoretical, experimental and Monte Carlo modeling of water-equivalence of Fricke and polymer (NIPAM, PAGAT and itaconic acid ITABIS) gel dosimeters. Mass and electronic densities along with effective atomic number were calculated by means of theoretical approaches. Samples were scanned by standard computed tomography and high-resolution micro computed tomography. Photon mass attenuation coefficients and electron stopping powers were examined by Monte Carlo simulations. Theoretical, Monte Carlo and experimental results confirmed good water-equivalence for all gel dosimeters. Overall variations with respect to water in the low energy radiology range (up to 130 k Vp) were found to be less than 3% in average. (Author)

  4. Water-equivalence of gel dosimeters for radiology medical imaging

    International Nuclear Information System (INIS)

    Valente, M; Vedelago, J.; Perez, P.; Chacon, D.; Mattea, F.; Velasquez, J.

    2017-10-01

    International dosimetry protocols are based on determinations of absorbed dose to water. Ideally, the phantom material should be water equivalent; that is, it should have the same absorption and scatter properties as water. This study presents theoretical, experimental and Monte Carlo modeling of water-equivalence of Fricke and polymer (NIPAM, PAGAT and itaconic acid ITABIS) gel dosimeters. Mass and electronic densities along with effective atomic number were calculated by means of theoretical approaches. Samples were scanned by standard computed tomography and high-resolution micro computed tomography. Photon mass attenuation coefficients and electron stopping powers were examined by Monte Carlo simulations. Theoretical, Monte Carlo and experimental results confirmed good water-equivalence for all gel dosimeters. Overall variations with respect to water in the low energy radiology range (up to 130 k Vp) were found to be less than 3% in average. (Author)

  5. 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.)

  6. 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.

  7. Water equivalence of NIPAM based polymer gel dosimeters with enhanced sensitivity for x-ray CT

    International Nuclear Information System (INIS)

    Gorjiara, Tina; Hill, Robin; Bosi, Stephen; Kuncic, Zdenka; Baldock, Clive

    2013-01-01

    Two new formulations of N-isopropylacrylamide (NIPAM) based three dimensional (3D) gel dosimeters have recently been developed with improved sensitivity to x-ray CT readout, one without any co-solvent and the other one with isopropanol co-solvent. The water equivalence of the NIPAM gel dosimeters was investigated using different methods to calculate their radiological properties including: density, electron density, number of electrons per grams, effective atomic number, photon interaction probabilities, mass attenuation and energy absorption coefficients, electron collisional, radiative and total mass stopping powers and electron mass scattering power. Monte Carlo modelling was also used to compare the dose response of these gel dosimeters with water for kilovoltage and megavoltage x-ray beams and for megavoltage electron beams. We found that the density and electron density of the co-solvent free gel dosimeter are more water equivalent with less than a 2.6% difference compared to a 5.7% difference for the isopropanol gel dosimeter. Both the co-solvent free and isopropanol solvent gel dosimeters have lower effective atomic numbers than water, differing by 2.2% and 6.5%, respectively. As a result, their photoelectric absorption interaction probabilities are up to 6% and 19% different from water, respectively. Compton scattering and pair production interaction probabilities of NIPAM gel with isopropanol differ by up to 10% from water while for the co-solvent free gel, the differences are 3%. Mass attenuation and energy absorption coefficients of the co-solvent free gel dosimeter and the isopropanol gel dosimeter are up to 7% and 19% lower than water, respectively. Collisional and total mass stopping powers of both gel dosimeters differ by less than 2% from those of water. The dose response of the co-solvent free gel dosimeter is water equivalent (with 100 keV, correction factor is required for the gels. • For MV electron, correction factor needed for the gels to

  8. 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.

  9. Rocket measurements of electric fields, electron density and temperature during the three phases of auroral substorms

    International Nuclear Information System (INIS)

    Marklund, G.; Block, L.; Lindqvist, P.-A.

    1979-12-01

    On Jan. 27, 1979, three rocket payloads were launched from Kiruna, Sweden, into different phases of two successive auroral substorms. Among other experiments, the payloads carried the RIT double probe electric field experiments, providing electric field, electron density and temperature data, which are presented here. These are discussed in association with observations of particles, ionospheric drifts (STARE) and electric fields in the equatorial plane (GEOS). The motions of the auroral forms, as obtained from auroral pictures are compared with the E x B/B 2 drifts and the currents calculated from the rocket electric field and density measurements with the equivalent current system deduced from ground based magnetometer data (SMA). (Auth.)

  10. 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

  11. 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 ...

  12. 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

  13. Obtaining the conversion curve of CT numbers to electron density from the effective energy of the CT using the dummy SEFM

    International Nuclear Information System (INIS)

    Martin-Viera Cueto, J. A.; Garcia Pareja, S.; Benitez Villegas, E. M.; Moreno Saiz, E. M.; Bodineau Gil, C.; Caudepon Moreno, F.

    2011-01-01

    The objective of this work is to obtain the conversion curve of Hounsfield units (A) versus electron densities using a mannequin with different tissue equivalent materials. This provides for the effective energy beam CT and is used to characterize the linear coefficients of absorption of different materials that comprise the dummy.

  14. 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.

  15. 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.

  16. 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...

  17. Water equivalence of NIPAM based polymer gel dosimeters with enhanced sensitivity for x-ray CT

    Science.gov (United States)

    Gorjiara, Tina; Hill, Robin; Bosi, Stephen; Kuncic, Zdenka; Baldock, Clive

    2013-10-01

    Two new formulations of N-isopropylacrylamide (NIPAM) based three dimensional (3D) gel dosimeters have recently been developed with improved sensitivity to x-ray CT readout, one without any co-solvent and the other one with isopropanol co-solvent. The water equivalence of the NIPAM gel dosimeters was investigated using different methods to calculate their radiological properties including: density, electron density, number of electrons per grams, effective atomic number, photon interaction probabilities, mass attenuation and energy absorption coefficients, electron collisional, radiative and total mass stopping powers and electron mass scattering power. Monte Carlo modelling was also used to compare the dose response of these gel dosimeters with water for kilovoltage and megavoltage x-ray beams and for megavoltage electron beams. We found that the density and electron density of the co-solvent free gel dosimeter are more water equivalent with less than a 2.6% difference compared to a 5.7% difference for the isopropanol gel dosimeter. Both the co-solvent free and isopropanol solvent gel dosimeters have lower effective atomic numbers than water, differing by 2.2% and 6.5%, respectively. As a result, their photoelectric absorption interaction probabilities are up to 6% and 19% different from water, respectively. Compton scattering and pair production interaction probabilities of NIPAM gel with isopropanol differ by up to 10% from water while for the co-solvent free gel, the differences are 3%. Mass attenuation and energy absorption coefficients of the co-solvent free gel dosimeter and the isopropanol gel dosimeter are up to 7% and 19% lower than water, respectively. Collisional and total mass stopping powers of both gel dosimeters differ by less than 2% from those of water. The dose response of the co-solvent free gel dosimeter is water equivalent (with x-ray beams over the energy range 180 keV-18 MV, both gel dosimeters have less than 2% discrepancy with water. For

  18. Tomography of the ionospheric electron density with geostatistical inversion

    Directory of Open Access Journals (Sweden)

    D. Minkwitz

    2015-08-01

    Full Text Available In relation to satellite applications like global navigation satellite systems (GNSS and remote sensing, the electron density distribution of the ionosphere has significant influence on trans-ionospheric radio signal propagation. In this paper, we develop a novel ionospheric tomography approach providing the estimation of the electron density's spatial covariance and based on a best linear unbiased estimator of the 3-D electron density. Therefore a non-stationary and anisotropic covariance model is set up and its parameters are determined within a maximum-likelihood approach incorporating GNSS total electron content measurements and the NeQuick model as background. As a first assessment this 3-D simple kriging approach is applied to a part of Europe. We illustrate the estimated covariance model revealing the different correlation lengths in latitude and longitude direction and its non-stationarity. Furthermore, we show promising improvements of the reconstructed electron densities compared to the background model through the validation of the ionosondes Rome, Italy (RO041, and Dourbes, Belgium (DB049, with electron density profiles for 1 day.

  19. Improving the equivalent-photon approximation in electron-positron collisions

    CERN Document Server

    Schuler, G A

    1996-01-01

    The validity of the equivalent-photon approximation for two-photon processes in electron--positron collisions is critically examined. Commonly used forms to describe hadronic two-photon production are shown to lead to sizeable errors. An improved two-photon luminosity function is presented, which includes beyond-leading-logarithmic effects and scalar-photon contributions. Comparisons of various approximate expressions with the exact calculation in the case of the total hadronic cross section are given. Furthermore, effects of the poorly known low-Q2 behaviour of the virtual hadronic cross sections are discussed.

  20. 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.

  1. Accurate Prediction of Transimpedances and Equivalent Input Noise Current Densities of Tuned Optical Receiver Front Ends

    DEFF Research Database (Denmark)

    Liu, Qing Zhong

    1991-01-01

    Novel analytical expressions have been derived for calculating transimpedances and equivalent input noise current densities of five tuned optical receiver front ends based on PIN diode and MESFETs or HEMTs. Miller's capacitance, which has been omitted in previous studies, has been taken...

  2. 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.

  3. 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

  4. Equivalent Circulation Density Analysis of Geothermal Well by Coupling Temperature

    Directory of Open Access Journals (Sweden)

    Xiuhua Zheng

    2017-02-01

    Full Text Available The accurate control of the wellbore pressure not only prevents lost circulation/blowout and fracturing formation by managing the density of the drilling fluid, but also improves productivity by mitigating reservoir damage. Calculating the geothermal pressure of a geothermal well by constant parameters would easily bring big errors, as the changes of physical, rheological and thermal properties of drilling fluids with temperature are neglected. This paper researched the wellbore pressure coupling by calculating the temperature distribution with the existing model, fitting the rule of density of the drilling fluid with the temperature and establishing mathematical models to simulate the wellbore pressures, which are expressed as the variation of Equivalent Circulating Density (ECD under different conditions. With this method, the temperature and ECDs in the wellbore of the first medium-deep geothermal well, ZK212 Yangyi Geothermal Field in Tibet, were determined, and the sensitivity analysis was simulated by assumed parameters, i.e., the circulating time, flow rate, geothermal gradient, diameters of the wellbore, rheological models and regimes. The results indicated that the geothermal gradient and flow rate were the most influential parameters on the temperature and ECD distribution, and additives added in the drilling fluid should be added carefully as they change the properties of the drilling fluid and induce the redistribution of temperature. To ensure the safe drilling and velocity of pipes tripping into the hole, the depth and diameter of the wellbore are considered to control the surge pressure.

  5. 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

  6. Electron fluence to dose equivalent conversion factors calculated with EGS3 for electrons and positrons with energies from 100 keV to 20 GeV

    International Nuclear Information System (INIS)

    Rogers, D.W.O.

    1983-01-01

    At NRC the general purpose Monte-Carlo electron-photon transport code EGS3 is being applied to a variety of radiation dosimetry problems. To test its accuracy at low energies a detailed set of depth-dose curves for electrons and photons has been generated and compared to previous calculations. It was found that by changing the default step-size algorithm in EGS3, significant changes were obtained for incident electron beam cases. It was found that restricting the step-size to a 4% energy loss was appropriate below incident electron beam energies of 10 MeV. With this change, the calculated depth-dose curves were found to be in reasonable agreement with other calculations right down to incident electron energies of 100 keV although small (less than or equal to 10%) but persistent discrepancies with the NBS code ETRAN were obtained. EGS3 predicts higher initial dose and shorter range than ETRAN. These discrepancies are typical of a wide range of energies as is the better agreement with the results of Nahum. Data is presented for the electron fluence to maximal dose equivalent in a 30 cm thick slab of ICRU 4-element tissue irradiated by broad parallel beams of electrons incident normal to the surface. On their own, these values only give an indication of the dose equivalent expected from a spectrum of electrons since one needs to fold the spectrum maximal dose equivalent value. Calculations have also been done for incident positron beams. Despite the large statistical uncertainties, maximal dose equivalent although their values are 5 to 10% lower in a band around 10 MeV

  7. 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.

  8. 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/

  9. Limitations in accurate electron density studies

    International Nuclear Information System (INIS)

    Wal, R. van der.

    1982-01-01

    Most of X-ray diffraction studies are devoted to the determination of three-dimensional crystal structures from the electron density distributions. In these cases the density distributions are described by the independent atom model (IAM model), which consists of a superposition of spherically averaged free atom densities, which are smeared by thermal vibrations. During the last few decades studies have been made into the deviations of the density distribution from the IAM model, which enables a study of the chemical binding between atoms. The total density can be described using pseudo-atom multipole models as a superposition of aspherical pseudo-atom densities. A fundamental problem is that the separation of this density into an IAM and a deformation part is not unique. This thesis considers the problem and besides deformation densities from X-ray diffraction also considers the corresponding deformation electric field and deformation potential. (C.F.)

  10. 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)

  11. 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

  12. Calculation of equivalent dose index for electrons from 5,0 to 22,0 MeV by the Monte Carlo method

    International Nuclear Information System (INIS)

    Peixoto, J.E.

    1979-01-01

    The index of equivalent dose in depth and in a sphere surface of a soft tissue equivalent material were determined by Monte Carlo method for electron irradiations from 5,0 to 22.00 MeV. The effect of different irradiation geometries which simulate the incidence of onedirectional opposite rotational and isotropic beams was studied. It is also shown that the detector of wall thickness with 0.5g/cm 2 and isotropic response com be used to measure index of equivalent dose for fast electrons. The alternative concept of average equivalent dose for radiation protection is discussed. (M.C.K.) [pt

  13. 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.

  14. 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)

  15. 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.

  16. 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

  17. Gas electron multiplier (GEM) operation with tissue-equivalent gases at various pressures

    International Nuclear Information System (INIS)

    Farahmand, M.; Bos, A.J.J.; Eijk, C.W.E. van

    2003-01-01

    We have studied the operation of two different Gas Electron Multiplier (GEM) structures in both methane and propane based Tissue-Equivalent (TE) gases at different pressures varying from 0.1 to 1 atm. This work was motivated to explore the possibility of using a GEM for a new type of Tissue Equivalent Proportional Counter. In methane based TE gas, a maximum safe GEM gain of 1.5x10 3 has been reached while in propane based TE gas this is 6x10 3 . These maxima have been reached at different gas pressures depending on GEM structure and TE gas. Furthermore, we observed a decrease of the GEM gain in time before it becomes stable. Charge up/polarisation effects can explain this

  18. Precise measurements of spatial density distributions of damages introduced into GaP by MeV-electron beam irradiations based on its optical properties

    International Nuclear Information System (INIS)

    Endo, T.; Hashimoto, Y.; Nakanishi, Y.; Wada, T.

    1985-01-01

    GaP crystals were irradiated uniformly on their flat surfaces by 10 MeV-electrons. The 'below-gap' absorption coefficient Δαsub(b)(hν) and the normalized white-light optical density D/d in these samples increased linearly with a dose phi as Δαsub(b)(2.0) = 3.3 x 10 -16 phi and D/d = 1.42 x 10 -16 phi. The free electron density n in the conduction band estimated from the X 1 -> X 3 absorption band decreased with phi, and as the decrease in the free electron density Δn is equivalent to the density of introduced defects N, it could be expressed that N = Δn = Rsub(c)phi where the value of the carrier removal rate Rsub(c) was 5.8 cm -1 for the S-doped sample. These expressions lead to the basic relation that N is proportional to D/d as expressed in N = 4.1 x 10 16 D/d. Two-dimensional distributions of D/d were measured in the samples irradiated by collimated electron beams at 10 and 16 MeV by using a microdensitometer, and they were converted into the two-dimensional distributions of damage density according to the linear relation of N-D/d. Damages gradually spread laterally with increasing depth at first and then shrink. (author)

  19. 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.

  20. 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.

  1. An evaluation of calculation procedures affecting the constituent factors of equivalent circulating density for drilling hydraulics

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, William J.

    1996-12-31

    This Dr. ing. thesis covers a study of drilling hydraulics offshore. The purpose of drilling hydraulics is to provide information about downhole pressure, suitable surface pump rates, the quality of hole cleaning and optimum tripping speeds during drilling operations. Main fields covered are drilling hydraulics, fluid characterisation, pressure losses, and equivalent circulating density. 197 refs., 23 figs., 22 tabs.

  2. An evaluation of calculation procedures affecting the constituent factors of equivalent circulating density for drilling hydraulics

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, William J

    1997-12-31

    This Dr. ing. thesis covers a study of drilling hydraulics offshore. The purpose of drilling hydraulics is to provide information about downhole pressure, suitable surface pump rates, the quality of hole cleaning and optimum tripping speeds during drilling operations. Main fields covered are drilling hydraulics, fluid characterisation, pressure losses, and equivalent circulating density. 197 refs., 23 figs., 22 tabs.

  3. 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.

  4. 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)

  5. 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

  6. 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.

  7. 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

  8. 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.

  9. 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

  10. 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

  11. 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

  12. Equivalent Energy Density concept: A preliminary reexamination of a technique for equating thermal loads

    International Nuclear Information System (INIS)

    Ryder, E.E.

    1992-08-01

    Historical and projected inventories of spent fuel from commercial light-water nuclear reactors exhibit diverse decay characteristics and ages. This report summarizes a preliminary reexamination of a method for determining equivalent thermal loads for the range of spent fuel expected at a potential underground repository. The method, known at the Equivalent Energy Density (EED) concept, bases its equivalence criteria on the assumption that a given waste will produce worst-case thermomechanical effects equal to worst-case thermomechanical effects produced by a baseline waste, provided that the thermal energy deposited in the host rock over a specified deposition period is the same for both waste descriptions. To test this assumption, temperature histories at representative locations within the host rock were calculated using layouts defined by the EED concept and four deposition periods (20, 50, 100, and 300 years). It was found that the peak temperatures at near-field locations were best matched by the shorter deposition periods of 20 and 50 years. However, due to the sensitivity of the near-field environment to short-term canister-to-canister interactions, caution,should be used when choosing a near-field deposition period. At the location chosen to represent the far-field, a 300-year deposition period provided reasonable correspondence of peak temperature responses for all waste descriptions examined

  13. A macroevolutionary explanation for energy equivalence in the scaling of body size and population density.

    Science.gov (United States)

    Damuth, John

    2007-05-01

    Across a wide array of animal species, mean population densities decline with species body mass such that the rate of energy use of local populations is approximately independent of body size. This "energetic equivalence" is particularly evident when ecological population densities are plotted across several or more orders of magnitude in body mass and is supported by a considerable body of evidence. Nevertheless, interpretation of the data has remained controversial, largely because of the difficulty of explaining the origin and maintenance of such a size-abundance relationship in terms of purely ecological processes. Here I describe results of a simulation model suggesting that an extremely simple mechanism operating over evolutionary time can explain the major features of the empirical data. The model specifies only the size scaling of metabolism and a process where randomly chosen species evolve to take resource energy from other species. This process of energy exchange among particular species is distinct from a random walk of species abundances and creates a situation in which species populations using relatively low amounts of energy at any body size have an elevated extinction risk. Selective extinction of such species rapidly drives size-abundance allometry in faunas toward approximate energetic equivalence and maintains it there.

  14. 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

  15. 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.

  16. 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)

  17. The study of dynamics of electrons in the presence of large current densities

    International Nuclear Information System (INIS)

    Garcia, G.

    2007-11-01

    The runaway electron effect is considered in different fields: nuclear fusion, or the heating of the solar corona. In this thesis, we are interested in runaway electrons in the ionosphere. We consider the issue of electrons moving through an ionospheric gas of positive ions and neutrals under the influence of a parallel electric field. We develop a kinetic model of collisions including electrons/electrons, electrons/ions and electrons/neutrals collisions. We use a Fokker-Planck approach to describe binary collisions between charged particles with a long-range interaction. A computational example is given illustrating the approach to equilibrium and the impact of the different terms. Then, a static electric field is applied in a new sample run. In this run, the electrons move in the z direction, parallel to the electric field. The first results show that all the electron distribution functions are non-Maxwellian. Furthermore, runaway electrons can carry a significant part of the total current density up to 20% of the total current density. Nevertheless, we note that the divergence free of the current density is not conserved. We introduce major changes in order to take into account the variation of the different moments of the ion distribution functions. We observe that the electron distribution functions are still non-Maxwellian. Runaway electrons are created and carry the current density. The core distribution stay at rest. As these electrons undergo less collisions, they increase the plasma conductivity. We make a parametric study. We fit the electron distribution function by two Maxwellian. We show that the time to reach the maximal current density is a key point. Thus, when we increase this time, we modify the temperatures. The current density plays a primary role. When the current density increases, all the moments of the distributions increase: electron density and mean velocity of the suprathermal distribution and the electron temperature of the core and

  18. 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 ...

  19. 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

  20. 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...

  1. 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

  2. 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

  3. 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.)

  4. 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

  5. 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

  6. 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)

  7. 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

  8. 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.

  9. 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.

  10. The correlationship between mandibular radiomorphometric indices in panorama and bone mineral density in Cu-equivalent image of intraoral film

    International Nuclear Information System (INIS)

    Kim, Jae Duk

    2003-01-01

    To determine whether the mandibular radiomorphometric indices in panoramic radiography are correlated with the bone mineral density of Cu-equivalent images in intraoral film. The bone mineral density (BMD) of the mandibular premolar area was measured in the Cu-equivalent image of intraoral film. The Panoramic Mandibular Index (PMI) and Mandibular Cortical Width (MCW) were measured in panoramic radiographs of six dry mandibles, and the Pearson correlation between PMI, MCW, and BMD were tested. There were no significant correlations between PMI and BMD (r=0.280), nor between MCW and BMD (r=0.237). The results show that PMI and MCW were poor diagnostic indicators of mandibular BMD in the six dry mandibles used in this study. The correlationship between the mandibular radiomorphometric indices (PMI and MCW) and mandibular BMD needs to be researched further using large in vivo patient samples.

  11. 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.

  12. 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.

  13. 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.

  14. 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)

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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)

  2. Out‐of‐field doses and neutron dose equivalents for electron beams from modern Varian and Elekta linear accelerators

    Science.gov (United States)

    Cardenas, Carlos E.; Nitsch, Paige L.; Kudchadker, Rajat J.; Howell, Rebecca M.

    2016-01-01

    Out‐of‐field doses from radiotherapy can cause harmful side effects or eventually lead to secondary cancers. Scattered doses outside the applicator field, neutron source strength values, and neutron dose equivalents have not been broadly investigated for high‐energy electron beams. To better understand the extent of these exposures, we measured out‐of‐field dose characteristics of electron applicators for high‐energy electron beams on two Varian 21iXs, a Varian TrueBeam, and an Elekta Versa HD operating at various energy levels. Out‐of‐field dose profiles and percent depth‐dose curves were measured in a Wellhofer water phantom using a Farmer ion chamber. Neutron dose was assessed using a combination of moderator buckets and gold activation foils placed on the treatment couch at various locations in the patient plane on both the Varian 21iX and Elekta Versa HD linear accelerators. Our findings showed that out‐of‐field electron doses were highest for the highest electron energies. These doses typically decreased with increasing distance from the field edge but showed substantial increases over some distance ranges. The Elekta linear accelerator had higher electron out‐of‐field doses than the Varian units examined, and the Elekta dose profiles exhibited a second dose peak about 20 to 30 cm from central‐axis, which was found to be higher than typical out‐of‐field doses from photon beams. Electron doses decreased sharply with depth before becoming nearly constant; the dose was found to decrease to a depth of approximately E(MeV)/4 in cm. With respect to neutron dosimetry, Q values and neutron dose equivalents increased with electron beam energy. Neutron contamination from electron beams was found to be much lower than that from photon beams. Even though the neutron dose equivalent for electron beams represented a small portion of neutron doses observed under photon beams, neutron doses from electron beams may need to be considered for

  3. Out-of-field doses and neutron dose equivalents for electron beams from modern Varian and Elekta linear accelerators.

    Science.gov (United States)

    Cardenas, Carlos E; Nitsch, Paige L; Kudchadker, Rajat J; Howell, Rebecca M; Kry, Stephen F

    2016-07-08

    Out-of-field doses from radiotherapy can cause harmful side effects or eventually lead to secondary cancers. Scattered doses outside the applicator field, neutron source strength values, and neutron dose equivalents have not been broadly investigated for high-energy electron beams. To better understand the extent of these exposures, we measured out-of-field dose characteristics of electron applicators for high-energy electron beams on two Varian 21iXs, a Varian TrueBeam, and an Elekta Versa HD operating at various energy levels. Out-of-field dose profiles and percent depth-dose curves were measured in a Wellhofer water phantom using a Farmer ion chamber. Neutron dose was assessed using a combination of moderator buckets and gold activation foils placed on the treatment couch at various locations in the patient plane on both the Varian 21iX and Elekta Versa HD linear accelerators. Our findings showed that out-of-field electron doses were highest for the highest electron energies. These doses typically decreased with increasing distance from the field edge but showed substantial increases over some distance ranges. The Elekta linear accelerator had higher electron out-of-field doses than the Varian units examined, and the Elekta dose profiles exhibited a second dose peak about 20 to 30 cm from central-axis, which was found to be higher than typical out-of-field doses from photon beams. Electron doses decreased sharply with depth before becoming nearly constant; the dose was found to decrease to a depth of approximately E(MeV)/4 in cm. With respect to neutron dosimetry, Q values and neutron dose equivalents increased with electron beam energy. Neutron contamination from electron beams was found to be much lower than that from photon beams. Even though the neutron dose equivalent for electron beams represented a small portion of neutron doses observed under photon beams, neutron doses from electron beams may need to be considered for special cases.

  4. 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)

  5. 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

  6. 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)

  7. 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.

  8. Calculation of W for low energy electrons in tissue-equivalent gas. [<10 keV

    Energy Technology Data Exchange (ETDEWEB)

    Dayashankar, [Bhabha Atomic Research Centre, Bombay (India). Div. of Radiation Protection

    1977-11-01

    The mean energy expended per ion pair formed (W-value) in the tissue-equivalent gas for incident electrons of energy up to 10 keV has been calculated in the continuous slowing-down approximation. The effect of secondary and tertiary electrons has been considered by utilizing recent measurements of Opal et al., (1971, J. Chem. Phys., 55,4100) on the energy spectra of low-energy secondary electrons and the Mott formula for the spectra of high-energy secondaries. The results, which are provisional in nature due to the limitations on the accuracy of the input cross-section data and the neglect of the discrete nature of energy loss process, are compared with the available measurements.

  9. 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....

  10. 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.

  11. 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.

  12. 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.

  13. 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)

  14. Statistical density modification using local pattern matching

    International Nuclear Information System (INIS)

    Terwilliger, Thomas C.

    2003-01-01

    Statistical density modification can make use of local patterns of density found in protein structures to improve crystallographic phases. A method for improving crystallographic phases is presented that is based on the preferential occurrence of certain local patterns of electron density in macromolecular electron-density maps. The method focuses on the relationship between the value of electron density at a point in the map and the pattern of density surrounding this point. Patterns of density that can be superimposed by rotation about the central point are considered equivalent. Standard templates are created from experimental or model electron-density maps by clustering and averaging local patterns of electron density. The clustering is based on correlation coefficients after rotation to maximize the correlation. Experimental or model maps are also used to create histograms relating the value of electron density at the central point to the correlation coefficient of the density surrounding this point with each member of the set of standard patterns. These histograms are then used to estimate the electron density at each point in a new experimental electron-density map using the pattern of electron density at points surrounding that point and the correlation coefficient of this density to each of the set of standard templates, again after rotation to maximize the correlation. The method is strengthened by excluding any information from the point in question from both the templates and the local pattern of density in the calculation. A function based on the origin of the Patterson function is used to remove information about the electron density at the point in question from nearby electron density. This allows an estimation of the electron density at each point in a map, using only information from other points in the process. The resulting estimates of electron density are shown to have errors that are nearly independent of the errors in the original map using

  15. Unified analytical expressions for calculating resonant frequencies, transimpedances, and equivalent input noise current densities of tuned receiver front ends

    DEFF Research Database (Denmark)

    Liu, Qing Zhong

    1992-01-01

    Unified analytical expressions have been derived for calculating the resonant frequencies, transimpedance and equivalent input noise current densities of the four most widely used tuned optical receiver front ends built with FETs and p-i-n diodes. A more accurate FET model has been used to improve...

  16. 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

  17. 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.

  18. 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

  19. 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.

  20. 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)

  1. Nonlocal exchange and kinetic-energy density functionals for electronic systems

    International Nuclear Information System (INIS)

    Glossman, M.D.; Rubio, A.; Balbas, L.C.; Alonso, J.A.

    1992-01-01

    The nonlocal weighted density approximation (WDA) to the exchange and kinetic-energy functionals of many electron systems proposed several years ago by Alonso and Girifalco is used to compute, within the framework of density functional theory, the ground-state electronic density and total energy of noble gas atoms and of neutral jellium-like sodium clusters containing up to 500 atoms. These results are compared with analogous calculations using the well known Thomas-Fermi-Weizsacker-Dirac (TFWD) approximations for the kinetic (TFW) and exchange (D) energy density functionals. An outstanding improvement of the total and exchange energies, of the density at the nucleus and of the expectation values is obtained for atoms within the WDA scheme. For sodium clusters the authors notice a sizeable contribution of the nonlocal effects to the total energy and to the density profiles. In the limit of very large clusters these effects should affect the surface energy of the bulk metal

  2. 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%.

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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.)

  10. 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.

  11. 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.

  12. 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.)

  13. 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.)

  14. 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.

  15. 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

  16. 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)

  17. 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.)

  18. 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

  19. 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.

  20. MCNP modelling of the wall effects observed in tissue-equivalent proportional counters.

    Science.gov (United States)

    Hoff, J L; Townsend, L W

    2002-01-01

    Tissue-equivalent proportional counters (TEPCs) utilise tissue-equivalent materials to depict homogeneous microscopic volumes of human tissue. Although both the walls and gas simulate the same medium, they respond to radiation differently. Density differences between the two materials cause distortions, or wall effects, in measurements, with the most dominant effect caused by delta rays. This study uses a Monte Carlo transport code, MCNP, to simulate the transport of secondary electrons within a TEPC. The Rudd model, a singly differential cross section with no dependence on electron direction, is used to describe the energy spectrum obtained by the impact of two iron beams on water. Based on the models used in this study, a wall-less TEPC had a higher lineal energy (keV.micron-1) as a function of impact parameter than a solid-wall TEPC for the iron beams under consideration. An important conclusion of this study is that MCNP has the ability to model the wall effects observed in TEPCs.

  1. Spacecraft radio scattering observations of the power spectrum of electron density fluctuations in the solar wind

    International Nuclear Information System (INIS)

    Woo, R.; Armstrong, J.W.

    1979-01-01

    Solar wind electron density power spectra in the solar equatorial region are inferred from observations of phase scintillations and spectral broadening made with the Viking, Helios, and Pioneer spacecraft. The heliocentric distance range covered is 2--215 R/sub S/, and for some observations close to the sun the spectra extend to fluctuation frequencies as high as 100 Hz. For heliocentric distances > or approx. =20 R/sub S/ the equivalent spacecraft-measured one-dimensional density spectrym V/sub n/e is well modeled by a single power law (f/sup -alpha/) in the frequency range 10 -4 -5 x 10 -2 Hz. The mean spectral index α is 1.65, very close to the Kolmogorov value of 5/3. Under the assumption of constant solar wind speed, V/sub n/e varies as R/sup -3.45/, where R is heliocentric distance. Within 20 R/sub S/, V/sub n/e can still be modeled by a single power law over the frequency range 10 -3 -10 1 Hz, but the spectral index becomes smaller, αapprox.1.1. The flattening of the density spectrum with 20 R/sub S/ is presumably associated with energy deposition in the near-sun region and acceleration of the solar wind

  2. Distribution of E/N and N/e/ in a cross-flow electric discharge laser. [electric field to neutral gas density and electron number density

    Science.gov (United States)

    Dunning, J. W., Jr.; Lancashire, R. B.; Manista, E. J.

    1976-01-01

    Measurements have been conducted of the effect of the convection of ions and electrons on the discharge characteristics in a large scale laser. The results are presented for one particular distribution of ballast resistance. Values of electric field, current density, input power density, ratio of electric field to neutral gas density (E/N), and electron number density were calculated on the basis of measurements of the discharge properties. In a number of graphs, the E/N ratio, current density, power density, and electron density are plotted as a function of row number (downstream position) with total discharge current and gas velocity as parameters. From the dependence of the current distribution on the total current, it appears that the electron production in the first two rows significantly affects the current flowing in the succeeding rows.

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. A meta-analytic review of measurement equivalence study findings of the SF-36® and SF-12® Health Surveys across electronic modes compared to paper administration.

    Science.gov (United States)

    White, Michelle K; Maher, Stephen M; Rizio, Avery A; Bjorner, Jakob B

    2018-04-16

    Patient-reported outcome (PRO) measures originally developed for paper administration are increasingly being administered electronically in clinical trials and other health research studies. Three published meta-analyses of measurement equivalence among paper and electronic modes aggregated findings across hundreds of PROs, but there has not been a similar meta-analysis that addresses a single PRO, partly because there are not enough published measurement equivalence studies using the same PRO. Because the SF-36 (R) Health Survey (SF-36) is a widely used PRO, the aim of this study was to conduct a meta-analysis of measurement equivalence studies of this survey. A literature search of several medical databases used search terms for variations of "SF-36" or "SF-12" and "equivalence" in the title or abstract of English language publications. The eight scale scores and two summary measures of the SF-36 and SF-12 were transformed to norm-based scores (NBS) using developer guidelines. A threshold of within ± 2 NBS points was set as the margin of equivalence. Comprehensive meta-analysis software was used. Twenty-five studies were included in the meta-analysis. Results indicated that mean differences across domains and summary scores ranged from 0.01 to 0.39 while estimates of agreement ranged from 0.76 to 0.91, all well within the equivalence threshold. Moderator analyses showed that time between administration, survey language, and type of electronic device did not influence equivalence. The results of the meta-analysis support equivalence of paper-based and electronic versions of the SF-36 and SF-12 across a variety of disease populations, countries, and electronic modes.

  12. Large-strain time-temperature equivalence in high density polyethylene for prediction of extreme deformation and damage

    Directory of Open Access Journals (Sweden)

    Gray G.T.

    2012-08-01

    Full Text Available Time-temperature equivalence is a widely recognized property of many time-dependent material systems, where there is a clear predictive link relating the deformation response at a nominal temperature and a high strain-rate to an equivalent response at a depressed temperature and nominal strain-rate. It has been found that high-density polyethylene (HDPE obeys a linear empirical formulation relating test temperature and strain-rate. This observation was extended to continuous stress-strain curves, such that material response measured in a load frame at large strains and low strain-rates (at depressed temperatures could be translated into a temperature-dependent response at high strain-rates and validated against Taylor impact results. Time-temperature equivalence was used in conjuction with jump-rate compression tests to investigate isothermal response at high strain-rate while exluding adiabatic heating. The validated constitutive response was then applied to the analysis of Dynamic-Tensile-Extrusion of HDPE, a tensile analog to Taylor impact developed at LANL. The Dyn-Ten-Ext test results and FEA found that HDPE deformed smoothly after exiting the die, and after substantial drawing appeared to undergo a pressure-dependent shear damage mechanism at intermediate velocities, while it fragmented at high velocities. Dynamic-Tensile-Extrusion, properly coupled with a validated constitutive model, can successfully probe extreme tensile deformation and damage of polymers.

  13. 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

  14. Electronic structure of SnF{sub 3}: An example of valence skipper which forms charge density wave

    Energy Technology Data Exchange (ETDEWEB)

    Hase, I., E-mail: i.hase@aist.go.jp [National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8568 (Japan); Yanagisawa, T. [National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8568 (Japan); Kawashima, K. [IMRA Material R& D Co., LTD., Kariya, Aichi 448-0032 (Japan)

    2016-11-15

    Highlights: • We calculated the electronic structure of SnF{sub 3} and BaBiO{sub 3} from first principles. • As for SnF{sub 3}, charge-density-wave (CDW) is found, which agrees with the experiment. • As for BaBiO{sub 3}, CDW is not found, contrary to the experiment. • We conclude that the CDW is hard in SnF{sub 3} and is soft in BaBiO{sub 3}. - Abstract: In the present study we calculated the electronic structure of the valence skipping compound SnF{sub 3} and BaBiO{sub 3} from first-principles. We confirmed that the charge-density-wave (CDW) is formed in SnF{sub 3}, and the Sn atoms in two crystallographic different sites take the valence Sn{sup 2+} and Sn{sup 4+}. Structure optimization study reveals that this CDW is stable, though the atomic position is slightly different from the experimental data. This behavior is in contrast with the case of BaBiO{sub 3}, where the structure optimization leads to the uniform state, which means that two Bi sites are equivalent. The CDW state is hard in SnF{sub 3}, which means that the CDW gap is large enough and it is difficult to melt this CDW order.

  15. 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.

  16. Neutron equivalent dose rates at the surroundings of the electron linear accelerator operated by the university of Sao Paulo - Physics institute

    International Nuclear Information System (INIS)

    Yanagihara, L.S.

    1984-01-01

    For the determination of the neutron dose rates at the surroundings of an electron linear accelerators it is necessary the knowledge of the neutron spectrum or its mean energy, because the conversion factor of the flux in equivalent dose rates, is strongly dependent on the neutron energy. Taking this fact into consideration, equivalent dose rates were determined in the three representative sites of the IF/USP Linear Electron Accelerator. Also, due to the radiation field be pulsed, a theoretical and experimental study has been realized to evaluate the effect produced by the variation of the field on the detector. (author)

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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

  3. 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)

  4. 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.

  5. 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)

  6. 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

  7. Electron beam instabilities in gyrotron beam tunnels

    International Nuclear Information System (INIS)

    Pedrozzi, M.; Alberti, S.; Hogge, J.P.; Tran, M.Q.; Tran, T.M.

    1997-10-01

    Electron beam instabilities occurring in a gyrotron electron beam can induce an energy spread which might significantly deteriorate the gyrotron efficiency. Three types of instabilities are considered to explain the important discrepancy found between the theoretical and experimental efficiency in the case of quasi-optical gyrotrons (QOG): the electron cyclotron maser instability, the Bernstein instability and the Langmuir instability. The low magnetic field gradient in drift tubes of QOG makes that the electron cyclotron maser instability can develop in the drift tube at very low electron beam currents. Experimental measurements show that with a proper choice of absorbing structures in the beam tunnel, this instability can be suppressed. At high beam currents, the electrostatic Bernstein instability can induce a significant energy spread at the entrance of the interaction region. The induced energy spread scales approximately linearly with the electron beam density and for QOG one observes that the beam density is significantly higher than the beam density of an equivalent cylindrical cavity gyrotron. (author) figs., tabs., refs

  8. 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.

  9. 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.

  10. 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.

  11. Polyurethane as a base for a family of tissue equivalent materials

    International Nuclear Information System (INIS)

    Griffith, R.V.

    1980-01-01

    Recent experience gained in the selection of tissue equivalent materials for the construction of whole body counting phantoms has shown that commercially available polyurethane can be used as a base for a variety of tissue equivalent materials. Tissues simulated include lung, adipose, muscle, cartilage and rib bone. When selecting tissue equivalent materials it is important to understand what tissue properties must be simulated. Materials that simply simulate the linear attenuation of low energy photons for example, are not very likely to simulate neutron interaction properties accurately. With this in mind, we have developed more than one simulation composition for a given tissue, depending on the purpose to which the simulant is to be applied. Simple simulation of linear attenuation can be achieved by addition of carefully measured amounts of higher Z material, such as calcium carbonate to the polyurethane. However, the simulation necessary for medical scanning purposes, or for use in mixed radiation fields requires more complex formulations to yield proper material density, hydrogen and nitrogen content, electron density, and effective atomic number. Though polyurethane has limitations for simulation of tissues that differ markedly from its inherent composition (such as compacted bone), it is safe and easily used in modestly equipped laboratories. The simulants are durable and generally flexible. They can also be easily cast in irregular shapes to simulate specific organ geometries. (author)

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. Strong quadrupole interaction in electron paramagnetic resonance. Study of the indium hexacyanide (III) in KCl irradiated with electrons

    International Nuclear Information System (INIS)

    Vugman, N.V.

    1973-08-01

    The radiation effects in ]Ir III (CN) 6 ] 3- diamagnetic complexe inserted in the KCl lattice and irradiated with electrons of 2MeV by electron spin resonance (ESR) are analysed. Formulas for g and A tensors in the ligand field approximation, are derivated to calculate non coupling electron density in the metal. The X polarization field of inner shells is positive, indicating a 6s function mixture in the non coupling electron molecular orbital. The observed hyperfine structure is assigned to 4 equivalent nitrogen and one non equivalent nitrogen. This hypothesis is verified by experience of isotope substitution with 15 N. The s and p spin density in ligands are calculated and discussed in terms of molecular obitals. The effects of strong quadrupole interaction into the EPR spectra of ]Ir II (CN) 5 ] 3- complex are analysed by MAGNSPEC computer program to diagonalize the Spin Hamiltonian of the system. Empiric rules for EPR espectrum interpretation with strong quadrupole interaction. A review of EPR technique and a review of main concepts of crystal-field and ligand field theories, are also presented. (M.C.K.) [pt

  18. 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).

  19. 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.

  20. 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.

  1. 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.

  2. Application of the equivalent radiator method for radiative corrections to the spectra of elastic electron scattering by nuclei

    Directory of Open Access Journals (Sweden)

    I. S. Timchenko

    2015-07-01

    Full Text Available For calculating the radiative tails in the spectra of inelastic electron scattering by nuclei, the approximation, namely, the equivalent radiator method (ERM, is used. However, the applicability of this method for evaluating the radiative tail from the elastic scattering peak has been little investigated, and therefore, it has become the subject of the present study for the case of light nuclei. As a result, spectral regions were found, where a significant discrepancy between the ERM calculation and the exact-formula calculation was observed. A link was established between this phenomenon and the diffraction minimum of the squared form-factor of the nuclear ground state. Varieties of calculations were carried out for different kinematics of electron scattering by nuclei. The analysis of the calculation results has shown the conditions, at which the equivalent radiator method can be applied for adequately evaluating the radiative tail of the elastic scattering peak.

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. 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.

  10. 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)

  11. The relation between the (N) and (N-1) electrons atomic ground state

    International Nuclear Information System (INIS)

    Briet, P.

    1984-05-01

    The relation between the ground state of an N and (N-1) electrons atomic system are studied. We show that in some directions of the configuration space, the ratio of the N electrons atomic ground state to the one particle density is asymptotically equivalent to the (N-1) electrons atomic ground state

  12. 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

  13. 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

  14. 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

  15. 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

  16. 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)

  17. 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.

  18. A study of fast electron energy transport in relativistically intense laser-plasma interactions with large density scalelengths

    Energy Technology Data Exchange (ETDEWEB)

    Scott, R. H. H.; Norreys, P. A. [Department of Physics, Blackett Laboratory, Imperial College London, Prince Consort Road, London, SW7 2AZ (United Kingdom); Central Laser Facility, STFC Rutherford Appleton Laboratory, Harwell Oxford, Didcot, Oxford OX11 0QX (United Kingdom); Perez, F.; Baton, S. D. [LULI, Ecole Polytechnique, UMR 7605, CNRS/CEA/UPMC, Route de Saclay, 91128 Palaiseau (France); Santos, J. J.; Nicolai, Ph.; Hulin, S. [Univ. Bordeaux/CNRS/CEA, CELIA, UMR 5107, 33405 Talence (France); Ridgers, C. P. [Clarendon Laboratory, University of Oxford, Parks Road, Oxford OX1 3PU (United Kingdom); Department of Physics, Blackett Laboratory, Imperial College London, Prince Consort Road, London, SW7 2AZ (United Kingdom); Davies, J. R. [GoLP, Instituto de Plasmas e Fusao Nuclear - Laboratorio Associado, Instituto Superior Tecnico, 1049-001 Lisboa (Portugal); Lancaster, K. L.; Trines, R. M. G. M. [Central Laser Facility, STFC Rutherford Appleton Laboratory, Harwell Oxford, Didcot, Oxford OX11 0QX (United Kingdom); Bell, A. R.; Tzoufras, M. [Clarendon Laboratory, University of Oxford, Parks Road, Oxford OX1 3PU (United Kingdom); Central Laser Facility, STFC Rutherford Appleton Laboratory, Harwell Oxford, Didcot, Oxford OX11 0QX (United Kingdom); Rose, S. J. [Department of Physics, Blackett Laboratory, Imperial College London, Prince Consort Road, London, SW7 2AZ (United Kingdom)

    2012-05-15

    A systematic experimental and computational investigation of the effects of three well characterized density scalelengths on fast electron energy transport in ultra-intense laser-solid interactions has been performed. Experimental evidence is presented which shows that, when the density scalelength is sufficiently large, the fast electron beam entering the solid-density plasma is best described by two distinct populations: those accelerated within the coronal plasma (the fast electron pre-beam) and those accelerated near or at the critical density surface (the fast electron main-beam). The former has considerably lower divergence and higher temperature than that of the main-beam with a half-angle of {approx}20 Degree-Sign . It contains up to 30% of the total fast electron energy absorbed into the target. The number, kinetic energy, and total energy of the fast electrons in the pre-beam are increased by an increase in density scalelength. With larger density scalelengths, the fast electrons heat a smaller cross sectional area of the target, causing the thinnest targets to reach significantly higher rear surface temperatures. Modelling indicates that the enhanced fast electron pre-beam associated with the large density scalelength interaction generates a magnetic field within the target of sufficient magnitude to partially collimate the subsequent, more divergent, fast electron main-beam.

  19. 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.

  20. 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

  1. The study of dynamics of electrons in the presence of large current densities; Etude de la dynamique des electrons en presence de fortes densites de courant

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, G

    2007-11-15

    The runaway electron effect is considered in different fields: nuclear fusion, or the heating of the solar corona. In this thesis, we are interested in runaway electrons in the ionosphere. We consider the issue of electrons moving through an ionospheric gas of positive ions and neutrals under the influence of a parallel electric field. We develop a kinetic model of collisions including electrons/electrons, electrons/ions and electrons/neutrals collisions. We use a Fokker-Planck approach to describe binary collisions between charged particles with a long-range interaction. A computational example is given illustrating the approach to equilibrium and the impact of the different terms. Then, a static electric field is applied in a new sample run. In this run, the electrons move in the z direction, parallel to the electric field. The first results show that all the electron distribution functions are non-Maxwellian. Furthermore, runaway electrons can carry a significant part of the total current density up to 20% of the total current density. Nevertheless, we note that the divergence free of the current density is not conserved. We introduce major changes in order to take into account the variation of the different moments of the ion distribution functions. We observe that the electron distribution functions are still non-Maxwellian. Runaway electrons are created and carry the current density. The core distribution stay at rest. As these electrons undergo less collisions, they increase the plasma conductivity. We make a parametric study. We fit the electron distribution function by two Maxwellian. We show that the time to reach the maximal current density is a key point. Thus, when we increase this time, we modify the temperatures. The current density plays a primary role. When the current density increases, all the moments of the distributions increase: electron density and mean velocity of the suprathermal distribution and the electron temperature of the core and

  2. 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)

  3. 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

  4. 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 ...

  5. 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.)

  6. 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.)

  7. 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

  8. 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.

  9. 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.

  10. 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

  11. Evaluation of some water - equivalent plastics as phantom materials for electron dosimetry

    International Nuclear Information System (INIS)

    Mihailescu, D.; Borcia, C.

    2005-01-01

    In the International Code of Practice for Dosimetry TRS-398 published by the International Atomic Energy Agency (IAEA), water is recommended as the reference medium for the determination of absorbed dose for high-energy electron beams. Plastic phantoms may be used under certain circumstances (electron energy below 10 MeV, R 50 2 ) for electron beam dosimetry. In this case, a depth-scaling factor is required for the conversion of depth in solid phantoms to depth in water. A fluence-scaling factor is also necessary for converting ionization chamber readings in plastic phantom to readings in water. The aim of this paper is to calculate, using Monte Carlo simulations, the depth-scaling factors c pl and fluence-scaling factors h pl of some commercially available water substitute solid phantoms in order to evaluate their water equivalency. Two sets of calculations were performed: one for electron pencil beams and another for 10 x 10 cm 2 parallel beams, both of which are normally incident on water and solid phantoms. We used only mono-energetic beams of 6, 9, 12, 15, and 18 MeV. The results were compared with TRS-398 recommended values. In the case of pencil beams, we found that by applying the TRS-398 protocol, unacceptable uncertainties (up to 10%) were introduced in the dose distribution calculations. By contrast, TRS-398 can safely be used for 10 x 10 cm 2 beams (reference beams). In this case, uncertainties lower than 1% were obtained, what was in agreement with other published data. (authors)

  12. Validation of Spherically Symmetric Inversion by Use of a Tomographically Reconstructed Three-Dimensional Electron Density of the Solar Corona

    Science.gov (United States)

    Wang, Tongjiang; Davila, Joseph M.

    2014-01-01

    Determining the coronal electron density by the inversion of white-light polarized brightness (pB) measurements by coronagraphs is a classic problem in solar physics. An inversion technique based on the spherically symmetric geometry (spherically symmetric inversion, SSI) was developed in the 1950s and has been widely applied to interpret various observations. However, to date there is no study of the uncertainty estimation of this method. We here present the detailed assessment of this method using a three-dimensional (3D) electron density in the corona from 1.5 to 4 solar radius as a model, which is reconstructed by a tomography method from STEREO/COR1 observations during the solar minimum in February 2008 (Carrington Rotation, CR 2066).We first show in theory and observation that the spherically symmetric polynomial approximation (SSPA) method and the Van de Hulst inversion technique are equivalent. Then we assess the SSPA method using synthesized pB images from the 3D density model, and find that the SSPA density values are close to the model inputs for the streamer core near the plane of the sky (POS) with differences generally smaller than about a factor of two; the former has the lower peak but extends more in both longitudinal and latitudinal directions than the latter. We estimate that the SSPA method may resolve the coronal density structure near the POS with angular resolution in longitude of about 50 deg. Our results confirm the suggestion that the SSI method is applicable to the solar minimum streamer (belt), as stated in some previous studies. In addition, we demonstrate that the SSPA method can be used to reconstruct the 3D coronal density, roughly in agreement with the reconstruction by tomography for a period of low solar activity (CR 2066). We suggest that the SSI method is complementary to the 3D tomographic technique in some cases, given that the development of the latter is still an ongoing research effort.

  13. '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)

  14. 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%.

  15. 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%.

  16. 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...

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.)

  3. 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

  4. 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)

  5. 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

  6. 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)

  7. 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.

  8. 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

  9. 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.

  10. 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.

  11. 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)

  12. 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.

  13. Numerical fluid solutions for nonlocal electron transport in hot plasmas: Equivalent diffusion versus nonlocal source

    International Nuclear Information System (INIS)

    Colombant, Denis; Manheimer, Wallace

    2010-01-01

    Flux limitation and preheat are important processes in electron transport occurring in laser produced plasmas. The proper calculation of both of these has been a subject receiving much attention over the entire lifetime of the laser fusion project. Where nonlocal transport (instead of simple single flux limit) has been modeled, it has always been with what we denote the equivalent diffusion solution, namely treating the transport as only a diffusion process. We introduce here a new approach called the nonlocal source solution and show it is numerically viable for laser produced plasmas. It turns out that the equivalent diffusion solution generally underestimates preheat. Furthermore, the advance of the temperature front, and especially the preheat, can be held up by artificial 'thermal barriers'. The nonlocal source method of solution, on the other hand more accurately describes preheat and can stably calculate the solution for the temperature even if the heat flux is up the gradient.

  14. 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.

  15. 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.

  16. 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

  17. 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)

  18. 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.

  19. 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

  20. 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

  1. Density functional theory

    International Nuclear Information System (INIS)

    Freyss, M.

    2015-01-01

    This chapter gives an introduction to first-principles electronic structure calculations based on the density functional theory (DFT). Electronic structure calculations have a crucial importance in the multi-scale modelling scheme of materials: not only do they enable one to accurately determine physical and chemical properties of materials, they also provide data for the adjustment of parameters (or potentials) in higher-scale methods such as classical molecular dynamics, kinetic Monte Carlo, cluster dynamics, etc. Most of the properties of a solid depend on the behaviour of its electrons, and in order to model or predict them it is necessary to have an accurate method to compute the electronic structure. DFT is based on quantum theory and does not make use of any adjustable or empirical parameter: the only input data are the atomic number of the constituent atoms and some initial structural information. The complicated many-body problem of interacting electrons is replaced by an equivalent single electron problem, in which each electron is moving in an effective potential. DFT has been successfully applied to the determination of structural or dynamical properties (lattice structure, charge density, magnetisation, phonon spectra, etc.) of a wide variety of solids. Its efficiency was acknowledged by the attribution of the Nobel Prize in Chemistry in 1998 to one of its authors, Walter Kohn. A particular attention is given in this chapter to the ability of DFT to model the physical properties of nuclear materials such as actinide compounds. The specificities of the 5f electrons of actinides will be presented, i.e., their more or less high degree of localisation around the nuclei and correlations. The limitations of the DFT to treat the strong 5f correlations are one of the main issues for the DFT modelling of nuclear fuels. Various methods that exist to better treat strongly correlated materials will finally be presented. (author)

  2. 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.

  3. 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.

  4. 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.

  5. 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.)

  6. Assessment of doses caused by electrons in thin layers of tissue-equivalent materials, using MCNP.

    Science.gov (United States)

    Heide, Bernd

    2013-10-01

    Absorbed doses caused by electron irradiation were calculated with Monte Carlo N-Particle transport code (MCNP) for thin layers of tissue-equivalent materials. The layers were so thin that the calculation of energy deposition was on the border of the scope of MCNP. Therefore, in this article application of three different methods of calculation of energy deposition is discussed. This was done by means of two scenarios: in the first one, electrons were emitted from the centre of a sphere of water and also recorded in that sphere; and in the second, an irradiation with the PTB Secondary Standard BSS2 was modelled, where electrons were emitted from an (90)Sr/(90)Y area source and recorded inside a cuboid phantom made of tissue-equivalent material. The speed and accuracy of the different methods were of interest. While a significant difference in accuracy was visible for one method in the first scenario, the difference in accuracy of the three methods was insignificant for the second one. Considerable differences in speed were found for both scenarios. In order to demonstrate the need for calculating the dose in thin small zones, a third scenario was constructed and simulated as well. The third scenario was nearly equal to the second one, but a pike of lead was assumed to be inside the phantom in addition. A dose enhancement (caused by the pike of lead) of ∼113 % was recorded for a thin hollow cylinder at a depth of 0.007 cm, which the basal-skin layer is referred to in particular. Dose enhancements between 68 and 88 % were found for a slab with a radius of 0.09 cm for all depths. All dose enhancements were hardly noticeable for a slab with a cross-sectional area of 1 cm(2), which is usually applied to operational radiation protection.

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. Dose distribution around ion track in tissue equivalent material

    International Nuclear Information System (INIS)

    Zhang Wenzhong; Guo Yong; Luo Yisheng

    2007-01-01

    Objective: To study the energy deposition micro-specialty of ions in body-tissue or tissue equivalent material (TEM). Methods: The water vapor was determined as the tissue equivalent material, based on the analysis to the body-tissue, and Monte Carlo method was used to simulate the behavior of proton in the tissue equivalent material. Some features of the energy deposition micro-specialty of ion in tissue equivalent material were obtained through the analysis to the data from calculation. Results: The ion will give the energy by the way of excitation and ionization in material, then the secondary electrons will be generated in the progress of ionization, these electron will finished ions energy deposition progress. When ions deposited their energy, large amount energy will be in the core of tracks, and secondary electrons will devote its' energy around ion track, the ion dose distribution is then formed in TEM. Conclusions: To know biological effects of radiation , the research to dose distribution of ions is of importance(significance). (authors)

  12. 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...

  13. 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

  14. 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

  15. 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.

  16. 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.

  17. 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....

  18. 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

  19. 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

  20. 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

  1. 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

  2. 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.

  3. 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

  4. 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

  5. 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.

  6. 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

  7. 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 Hα 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.

  8. 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

  9. 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.

  10. 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.

  11. Equivalent circuit-level model of quantum cascade lasers with integrated hot-electron and hot-phonon effects

    Science.gov (United States)

    Yousefvand, H. R.

    2017-12-01

    We report a study of the effects of hot-electron and hot-phonon dynamics on the output characteristics of quantum cascade lasers (QCLs) using an equivalent circuit-level model. The model is developed from the energy balance equation to adopt the electron temperature in the active region levels, the heat transfer equation to include the lattice temperature, the nonequilibrium phonon rate to account for the hot phonon dynamics and simplified two-level rate equations to incorporate the carrier and photon dynamics in the active region. This technique simplifies the description of the electron-phonon interaction in QCLs far from the equilibrium condition. Using the presented model, the steady and transient responses of the QCLs for a wide range of sink temperatures (80 to 320 K) are investigated and analysed. The model enables us to explain the operating characteristics found in QCLs. This predictive model is expected to be applicable to all QCL material systems operating in pulsed and cw regimes.

  12. 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.

  13. 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

  14. Density-functional theory for internal magnetic fields

    Science.gov (United States)

    Tellgren, Erik I.

    2018-01-01

    A density-functional theory is developed based on the Maxwell-Schrödinger equation with an internal magnetic field in addition to the external electromagnetic potentials. The basic variables of this theory are the electron density and the total magnetic field, which can equivalently be represented as a physical current density. Hence, the theory can be regarded as a physical current density-functional theory and an alternative to the paramagnetic current density-functional theory due to Vignale and Rasolt. The energy functional has strong enough convexity properties to allow a formulation that generalizes Lieb's convex analysis formulation of standard density-functional theory. Several variational principles as well as a Hohenberg-Kohn-like mapping between potentials and ground-state densities follow from the underlying convex structure. Moreover, the energy functional can be regarded as the result of a standard approximation technique (Moreau-Yosida regularization) applied to the conventional Schrödinger ground-state energy, which imposes limits on the maximum curvature of the energy (with respect to the magnetic field) and enables construction of a (Fréchet) differentiable universal density functional.

  15. Transition matrices and orbitals from reduced density matrix theory

    Energy Technology Data Exchange (ETDEWEB)

    Etienne, Thibaud [Université de Lorraine – Nancy, Théorie-Modélisation-Simulation, SRSMC, Boulevard des Aiguillettes 54506, Vandoeuvre-lès-Nancy (France); CNRS, Théorie-Modélisation-Simulation, SRSMC, Boulevard des Aiguillettes 54506, Vandoeuvre-lès-Nancy (France); Unité de Chimie Physique Théorique et Structurale, Université de Namur, Rue de Bruxelles 61, 5000 Namur (Belgium)

    2015-06-28

    In this contribution, we report two different methodologies for characterizing the electronic structure reorganization occurring when a chromophore undergoes an electronic transition. For the first method, we start by setting the theoretical background necessary to the reinterpretation through simple tensor analysis of (i) the transition density matrix and (ii) the natural transition orbitals in the scope of reduced density matrix theory. This novel interpretation is made more clear thanks to a short compendium of the one-particle reduced density matrix theory in a Fock space. The formalism is further applied to two different classes of excited states calculation methods, both requiring a single-determinant reference, that express an excited state as a hole-particle mono-excited configurations expansion, to which particle-hole correlation is coupled (time-dependent Hartree-Fock/time-dependent density functional theory) or not (configuration interaction single/Tamm-Dancoff approximation). For the second methodology presented in this paper, we introduce a novel and complementary concept related to electronic transitions with the canonical transition density matrix and the canonical transition orbitals. Their expression actually reflects the electronic cloud polarisation in the orbital space with a decomposition based on the actual contribution of one-particle excitations from occupied canonical orbitals to virtual ones. This approach validates our novel interpretation of the transition density matrix elements in terms of the Euclidean norm of elementary transition vectors in a linear tensor space. A proper use of these new concepts leads to the conclusion that despite the different principles underlying their construction, they provide two equivalent excited states topological analyses. This connexion is evidenced through simple illustrations of (in)organic dyes electronic transitions analysis.

  16. 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.

  17. 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.

  18. 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

  19. 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.

  20. 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.

  1. 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)

  2. 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.

  3. 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)

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

    Science.gov (United States)

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

    2003-11-01

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

  5. Comment on 'Kinetic energy as a density functional'

    International Nuclear Information System (INIS)

    Holas, A.; March, N.H.

    2002-01-01

    In a recent paper, Nesbet [Phys. Rev. A 65, 010502(R) (2001)] has proposed dropping ''the widespread but unjustified assumption that the existence of a ground-state density functional for the kinetic energy, T s [ρ], of an N-electron system implies the existence of a density-functional derivative, δT s [ρ]/δρ(r), equivalent to a local potential function,'' because, according to his arguments, this derivative 'has the mathematical character of a linear operator that acts on orbital wave functions'. Our Comment demonstrates that the statement called by Nesbet an 'unjustified assumption' happens, in fact, to be a rigorously proven theorem. Therefore, his previous conclusions stemming from his different view of this derivative, which undermined the foundations of density-functional theory, can be discounted

  6. 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)

  7. 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.

  8. 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

  9. 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.)

  10. Simulation of equivalent dose due to accidental electron beam loss in Indus-1 and Indus-2 synchrotron radiation sources using FLUKA code

    International Nuclear Information System (INIS)

    Sahani, P.K.; Dev, Vipin; Singh, Gurnam; Haridas, G.; Thakkar, K.K.; Sarkar, P.K.; Sharma, D.N.

    2008-01-01

    Indus-1 and Indus-2 are two Synchrotron radiation sources at Raja Ramanna Centre for Advanced Technology (RRCAT), India. Stored electron energy in Indus-1 and Indus-2 are 450MeV and 2.5GeV respectively. During operation of storage ring, accidental electron beam loss may occur in addition to normal beam losses. The Bremsstrahlung radiation produced due to the beam losses creates a major radiation hazard in these high energy electron accelerators. FLUKA, the Monte Carlo radiation transport code is used to simulate the accidental beam loss. The simulation was carried out to estimate the equivalent dose likely to be received by a trapped person closer to the storage ring. Depth dose profile in water phantom for 450MeV and 2.5GeV electron beam is generated, from which percentage energy absorbed in 30cm water phantom (analogous to human body) is calculated. The simulation showed the percentage energy deposition in the phantom is about 19% for 450MeV electron and 4.3% for 2.5GeV electron. The dose build up factor in 30cm water phantom for 450MeV and 2.5GeV electron beam are found to be 1.85 and 2.94 respectively. Based on the depth dose profile, dose equivalent index of 0.026Sv and 1.08Sv are likely to be received by the trapped person near the storage ring in Indus-1 and Indus-2 respectively. (author)

  11. 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.

  12. 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)

  13. 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).

  14. 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.

  15. Diarrhea-predominant irritable bowel syndrome: creation of an electronic version of a patient-reported outcome instrument by conversion from a pen-and-paper version and evaluation of their equivalence

    Directory of Open Access Journals (Sweden)

    Delgado-Herrera L

    2017-07-01

    Full Text Available Leticia Delgado-Herrera,1 Benjamin Banderas,2 Oluwafunke Ojo,2 Ritesh Kothari,3 Bernhardt Zeiher1 1Astellas Pharma Global Development, Inc., Northbrook, IL, 2Adelphi Values LLC, Boston, MA, 3ACCESS Medical LLC, Chicago, IL, USA Background: Subjects with diarrhea-predominant irritable bowel syndrome (IBS-D experience abdominal cramping, bloating, pressure, and pain. Due to an absence of clinical biomarkers for IBS-D severity, evaluation of clinical therapy benefits depends on valid and reliable symptom assessments. A patient-reported outcome (PRO instrument has been developed, comprising of two questionnaires – the IBS-D Daily Symptom Diary and IBS-D Symptom Event Log – suitable for clinical trials and real-world settings. This program aimed to support instrument conversion from pen-and-paper to electronic format.Materials and methods: Digital technology (Android/iOS and a traditional mode of administration study in the target population were used to migrate or convert the validated PRO IBS-D pen-and-paper measure to an electronic format. Equivalence interviews, conducted in three waves, each had three parts: 1 conceptual equivalence testing between formats, 2 electronic-version report-history cognitive debriefing, and 3 electronic version usability evaluation. After each interview wave, preliminary analyses were conducted and modifications made to the electronic version, before the next wave. Final revisions were based on a full analysis of equivalence interviews. The final analysis evaluated subjects’ ability to read, understand, and provide meaningful responses to the instruments across both formats. Responses were classified according to conceptual equivalence between formats and mobile-format usability assessed with a questionnaire and open-ended probes.Results: Equivalence interviews (n=25 demonstrated conceptual equivalence between formats. Mobile-application cognitive debriefing showed some subjects experienced difficulty with font

  16. 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...

  17. 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.

  18. Topological analysis of the electron density and of the electron localization function of pyrene and its radicals

    International Nuclear Information System (INIS)

    Hernandez-Trujillo, Jesus; Garcia-Cruz, Isidoro; Martinez-Magadan, Jose Manuel

    2005-01-01

    The topological properties of the charge distribution of pyrene and the three derived monoradicals in their ground state and of didehydrogenated pyrenes in the lowest singlet and triplet electronic states are discussed in detail by means of the quantum theory of atoms in molecules (TAIM) and by the electron localization function (ELF). The non-equivalence of the fused aromatic rings of pyrene prevents one from anticipating the stability and reactivity of these species from the chemistry of didehydrogenated species derived from benzene only. Whereas some of these didehydrogenated molecules were found to display a diradical character in the singlet ground state, the topological analysis reveals that others correspond to normal closed shells. Using these theoretical tools, the energetic and geometric details of o-, m- and p-benzyne-like pyrene derivatives are explained

  19. 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.

  20. 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...

  1. 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.

  2. 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

  3. Quasi-spin method in the case of j-j coupling in a shell of equivalent atomic electrons

    International Nuclear Information System (INIS)

    Savichyus, E.G.; Kanyauskas, Yu.M.; Rudzikas, Z.B.

    1979-01-01

    Mathematical apparatus of the theory of multielectronic atoms and ions in the case of j-j coupling in a shell of equivalent electrons is built. Quasi-spin method is used. The scheme of the investigation is the following: 1. Tensorial properties of the operators in quasi-spin space are considered. 2. Matrix elements of these operators are built and with the help of Wigner-Eckart theorem the dependence of the matrix elements upon the projection, including the quasi-spin projection, of the quantity of electrons in jj-subshell, is determined. 3. Subgenealogical coefficients (genealogical coefficients presented in quasi-spin space) are determined and some of their properties are investigated. The tables of subgenealogical coefficients for j=5/2, 7/2 are presented

  4. Penelope simulation of electron beams 6 MeV from a linear accelerator for studies in different materials equivalent to human body

    International Nuclear Information System (INIS)

    Apaza V, D.; Cardena R, R.; Cayllahua Q, F.; Vega R, J.; Urquizo B, R.

    2015-10-01

    In systems of radiotherapy treatment for cancer, always looking to maximize the radiation dose on the target (tumor) and minimize to the organs at risk or healthy, so they resort to using electron beams that have properties and characteristics of higher dose deposition at fixed depths, directing and focusing the higher dose in the tumor, without harming healthy tissues to which seeks to radiate in the least possible. Simulating the interaction of electron beams with different equivalent tissues to the human body leads to a better dosimetric evaluation, improving the quality of treatment planning. The aim of this study is the comparison from the characterization of several equivalent tissues to the human body such as soft tissue, bone and lung. Based on the simulation of a calibration beam in water phantom with Penelope code and compared with the results of the calibration curves of beams in water vat by a linear accelerator Elekta Synergy of Hospital Nacional Carlos Alberto Seguin Escobedo EsSalud of Arequipa (Peru). From this to evaluate the behavior of electron beams in a homogeneous medium and then further evaluation in the human body homogeneities, for better evaluation and specific treatment planning. (Author)

  5. 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.

  6. 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.

  7. 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.)

  8. 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)

  9. Are Electronic and Paper Questionnaires Equivalent to Assess Patients with Overactive Bladder?

    Science.gov (United States)

    Palmer, Cristina; Farhan, Bilal; Nguyen, Nobel; Zhang, Lishi; Do, Rebecca; Nguyen, Danh V; Ghoniem, Gamal

    2018-03-30

    .2-90.8, p questionnaire (p = 0.654). We found that the proportion of patients who considered electronic questionnaires to be equivalent to or better than paper versions was higher than those who preferred paper questionnaires regardless of age, gender or education level. Copyright © 2018 American Urological Association Education and Research, Inc. Published by Elsevier Inc. All rights reserved.

  10. 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.)

  11. 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.

  12. 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.

  13. 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

  14. 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...

  15. 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

  16. 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.

  17. 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.

  18. 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...

  19. Obtaining the conversion curve of CT numbers to electron density from the effective energy of the CT using the dummy SEFM; Obtencion de la curva de conversion de numeros TC a densidad electronica a partir de la energia efectiva del TC usando el maniqui de la SEFM

    Energy Technology Data Exchange (ETDEWEB)

    Martin-Viera Cueto, J. A.; Garcia Pareja, S.; Benitez Villegas, E. M.; Moreno Saiz, E. M.; Bodineau Gil, C.; Caudepon Moreno, F.

    2011-07-01

    The objective of this work is to obtain the conversion curve of Hounsfield units (A) versus electron densities using a mannequin with different tissue equivalent materials. This provides for the effective energy beam CT and is used to characterize the linear coefficients of absorption of different materials that comprise the dummy.

  20. 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.

  1. Mechanism of equivalent electric dipole oscillation for high-order harmonic generation from grating-structured solid-surface by femtosecond laser pulse

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yang; Song, Hai-Ying; Liu, H.Y.; Liu, Shi-Bing, E-mail: sbliu@bjut.edu.cn

    2017-07-12

    Highlights: • Proposed a valid mechanism of high harmonic generation by laser grating target interaction: oscillation of equivalent electric dipole (OEED). • Found that there also exist harmonic emission at large emission angle but not just near-surface direction as the former researches had pointed out. • Show the process of the formation and motion of electron bunches at the grating-target surface irradiating with femtosecond laser pulse. - Abstract: We theoretically study high-order harmonic generation (HHG) from relativistically driven overdense plasma targets with rectangularly grating-structured surfaces by femtosecond laser pulses. Our particle-in-cell (PIC) simulations show that, under the conditions of low laser intensity and plasma density, the harmonics emit principally along small angles deviating from the target surface. Further investigation of the surface electron dynamics reveals that the electron bunches are formed by the interaction between the laser field and the target surface, giving rise to the oscillation of equivalent electric-dipole (OEED), which enhances specific harmonic orders. Our work helps understand the mechanism of harmonic emissions from grating targets and the distinction from the planar harmonic scheme.

  2. 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)

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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)

  8. 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

  9. 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)

  10. 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)

  11. 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.)

  12. 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.

  13. 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

  14. 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

  15. 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.

  16. 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...

  17. An open-source framework for analyzing N-electron dynamics. II. Hybrid density functional theory/configuration interaction methodology.

    Science.gov (United States)

    Hermann, Gunter; Pohl, Vincent; Tremblay, Jean Christophe

    2017-10-30

    In this contribution, we extend our framework for analyzing and visualizing correlated many-electron dynamics to non-variational, highly scalable electronic structure method. Specifically, an explicitly time-dependent electronic wave packet is written as a linear combination of N-electron wave functions at the configuration interaction singles (CIS) level, which are obtained from a reference time-dependent density functional theory (TDDFT) calculation. The procedure is implemented in the open-source Python program detCI@ORBKIT, which extends the capabilities of our recently published post-processing toolbox (Hermann et al., J. Comput. Chem. 2016, 37, 1511). From the output of standard quantum chemistry packages using atom-centered Gaussian-type basis functions, the framework exploits the multideterminental structure of the hybrid TDDFT/CIS wave packet to compute fundamental one-electron quantities such as difference electronic densities, transient electronic flux densities, and transition dipole moments. The hybrid scheme is benchmarked against wave function data for the laser-driven state selective excitation in LiH. It is shown that all features of the electron dynamics are in good quantitative agreement with the higher-level method provided a judicious choice of functional is made. Broadband excitation of a medium-sized organic chromophore further demonstrates the scalability of the method. In addition, the time-dependent flux densities unravel the mechanistic details of the simulated charge migration process at a glance. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  18. Thomson scattering from near-solid density plasmas using soft x-ray free electron lasers

    Energy Technology Data Exchange (ETDEWEB)

    Holl, A; Bornath, T; Cao, L; Doppner, T; Dusterer, S; Forster, E; Fortmann, C; Glenzer, S H; Gregori, G; Laarmann, T; Meiwes-Broer, K H; Przystawik, A; Radcliffe, P; Redmer, R; Reinholz, H; Ropke, G; Thiele, R; Tiggesbaumker, J; Toleikis, S; Truong, N X; Tschentscher, T; Uschmann, I; Zastrau, U

    2006-11-21

    We propose a collective Thomson scattering experiment at the VUV free electron laser facility at DESY (FLASH) which aims to diagnose warm dense matter at near-solid density. The plasma region of interest marks the transition from an ideal plasma to a correlated and degenerate many-particle system and is of current interest, e.g. in ICF experiments or laboratory astrophysics. Plasma diagnostic of such plasmas is a longstanding issue. The collective electron plasma mode (plasmon) is revealed in a pump-probe scattering experiment using the high-brilliant radiation to probe the plasma. The distinctive scattering features allow to infer basic plasma properties. For plasmas in thermal equilibrium the electron density and temperature is determined from scattering off the plasmon mode.

  19. Electric field spikes formed by electron beam endash plasma interaction in plasma density gradients

    International Nuclear Information System (INIS)

    Gunell, H.; Loefgren, T.

    1997-01-01

    In the electron beam endash plasma interaction at an electric double layer the beam density is much higher than in the classical beam endash plasma experiments. The wave propagation takes place along the density gradient that is present at the high potential side of the double layer. Such a case is studied experimentally by injecting the electron beam from a plane cathode, without any grids suppressing the gradient, and by particle simulations. The high frequency field concentrates in a sharp open-quotes spikeclose quotes with a half width of the order of one wavelength. The spike is found to be a standing wave surrounded by regions dominated by propagating waves. It forms at a position where its frequency is close to the local plasma frequency. The spike forms also when the electric field is well below the threshold for modulational instability, and long before a density cavity is formed in the simulations. Particle simulations reveal that, at the spike, there is a backward traveling wave that, when it is strongly damped, accelerates electrons back towards the cathode. In a simulation of a homogeneous plasma without the density gradient no spike is seen, and the wave is purely travelling instead of standing. copyright 1997 American Institute of Physics

  20. Positron probing of electron momentum density in GaAs-AlAs superlattices and related materials

    International Nuclear Information System (INIS)

    Arutyunov, N.Y.; Sekkal, N.

    2008-08-01

    The band structure calculations based on the method proposed by Jaros et al. (Phys. Rev. B 31, 1205 (1985)) have been performed for the defect-free GaAs-AlAs superlattice and related AlAs and GaAs single crystals; the electron-positron momentum density distributions have been computed and analyzed. The results of calculations are in good agreement with the experimental data obtained ad hoc for GaAs and AlAs bulk materials by measuring the angular correlation of the annihilation radiation (ACAR). Small (but marked) features of the electron-positron momentum density of the valence band have been revealed both for constituent materials and GaAs-AlAs superlattice. The delocalization of positron in 'perfect' defect-'free' AlAs and GaAs single crystals to be observed experimentally is borne out by the results of pseudo-potential band calculations performed on the basis of method proposed by Sekkal et al. (Superlattices and Microstructures, 33, 63 (2003)). The prediction of the possibility of a certain confinement of positron in the interstitial area of GaAs- AlAs superlattice is confirmed by the agreement between the results of calculations and relevant experimental data obtained for GaAs and AlAs single crystals. No considerable effect of the enhancement of the annihilation rate (due to electron-positron interaction) upon the electron-positron momentum density distribution both in the superlattice and its constituent bulk materials has been found. The results of ACAR measurements and calculations performed suggest that a tangible improvement of the sensitivity of existing positron annihilation techniques is necessary for studying details of the electron-positron momentum density distributions in defect-'free' superlattices to be created on the basis of the diamond-like semiconductors possessing close values of the electron momentum densities. On the contrary, the positron-sensitive vacancy-type defects of various types in the superlattice may become a source of the

  1. Electron densities and chemical bonding in TiC, TiN and TiO derived from energy band calculations

    International Nuclear Information System (INIS)

    Blaha, P.

    1983-10-01

    It was the aim of this paper to describe the chemical bonding of TiC, TiN and TiO by means of energy bands and electron densities. Using the respective potentials we have calculated the bandstructure of a finer k-grid with the linearized APW method to obtain accurate densities of states (DOS). These DOS wer partitioned into local partial contributions and the metal d DOS were further decomposed into tsub(2g) and esub(g) symmetry components in order to additionally characterize bonding. The electron densities corresponding to the occupied valence states are obtained from the LAPW calculations. They provide further insight into characteristic trends in the series from TiC to TiO: around the nonmetal site the density shows increasing localisation; around the metal site the deviation from spherical symmetry changes from esub(g) to tsub(2g). Electron density plots of characteristic band states allow to describe different types of bonding occurring in these systems. For TiC and TiN recent measurements of the electron densities exist for samples of TiCsub(0.94) and TiNsub(0.99), where defects cause static displacements of the Ti atoms. If this effect can be compensated by an atomic model one hopefully can extrapolate to stoichiometric composition. This procedure allows a comparison with structure factors derived from theoretical electron densities. The agreement for TiN is very good. For TiC the extrapolated data agree in terms of the deviations from spherical symmetry near the Ti site with the LAPW data, but the densities around both atoms are more localized than in theory. An explanation could be: a) the defects affect the electronic structure in TiCsub(0.94) with respect to TiCsub(1.0): b) the applied atomic model does not properly extrapolate to stoichiometry, because parameters of this model correlate or become unphysical. (Author)

  2. Using FDG-PET activity as a surrogate for tumor cell density and its effect on equivalent uniform dose calculation

    International Nuclear Information System (INIS)

    Zhou Sumin; Wong, Terence Z.; Marks, Lawrence B.

    2004-01-01

    The concept of equivalent uniform dose (EUD) has been suggested as a means to quantitatively consider heterogeneous dose distributions within targets. Tumor cell density/function is typically assumed to be uniform. We herein propose to use 18 F-labeled 2-deoxyglucose (FDG) positron emission tomography (PET) tumor imaging activity as a surrogate marker for tumor cell density to allow the EUD concept to include intratumor heterogeneities and to study its effect on EUD calculation. Thirty-one patients with lung cancer who had computerized tomography (CT)-based 3D planning and PET imaging were studied. Treatment beams were designed based on the information from both the CT and PET scans. Doses were calculated in 3D based on CT images to reflect tissue heterogeneity. The EUD was calculated in two different ways: first, assuming a uniform tumor cell density within the tumor target; second, using FDG-PET activity (counts/cm 3 ) as a surrogate for tumor cell density at different parts of tumor to calculate the functional-imaging-weighted EUD (therefore will be labeled fEUD for convenience). The EUD calculation can be easily incorporated into the treatment planning process. For 28/31 patients, their fEUD and EUD differed by less than 6%. Twenty-one of these twenty-eight patients had tumor volumes 3 . In the three patients with larger tumor volume, the fEUD and EUD differed by 8%-14%. Incorporating information from PET imaging to represent tumor cell density in the EUD calculation is straightforward. This approach provides the opportunity to include heterogeneity in tumor function/metabolism into the EUD calculation. The difference between fEUD and EUD, i.e., whether including or not including the possible tumor cell density heterogeneity within tumor can be significant with large tumor volumes. Further research is needed to assess the usefulness of the fEUD concept in radiation treatment

  3. Project on comparison of structural parameters and electron density maps of oxalic acid dihydrate

    NARCIS (Netherlands)

    Coppens, Philip; Dam, J.; Harkema, Sybolt; Feil, D.

    1984-01-01

    Results obtained from four X-ray and five neutron data sets collected under a project sponsored by the Commission on Charge, Spin and Momentum Densities are analyzed by comparison of thermal parameters, positional parameters and X - N electron density maps. Three sets of theoretical calculations are

  4. Hydride vapor phase GaN films with reduced density of residual electrons and deep traps

    International Nuclear Information System (INIS)

    Polyakov, A. Y.; Smirnov, N. B.; Govorkov, A. V.; Yugova, T. G.; Cox, H.; Helava, H.; Makarov, Yu.; Usikov, A. S.

    2014-01-01

    Electrical properties and deep electron and hole traps spectra are compared for undoped n-GaN films grown by hydride vapor phase epitaxy (HVPE) in the regular process (standard HVPE samples) and in HVPE process optimized for decreasing the concentration of residual donor impurities (improved HVPE samples). It is shown that the residual donor density can be reduced by optimization from ∼10 17  cm −3 to (2–5) × 10 14  cm −3 . The density of deep hole traps and deep electron traps decreases with decreased donor density, so that the concentration of deep hole traps in the improved samples is reduced to ∼5 × 10 13  cm −3 versus 2.9 × 10 16  cm −3 in the standard samples, with a similar decrease in the electron traps concentration

  5. Extended equivalent dipole model for radiated emissions

    OpenAIRE

    Obiekezie, Chijioke S.

    2016-01-01

    This work is on the characterisation of radiated fields from electronic devices. An equivalent dipole approach is used. Previous work showed that this was an effective approach for single layer printed circuit boards where an infinite ground plane can be assumed. In this work, this approach is extended for the characterisation of more complex circuit boards or electronic systems.\\ud For complex electronic radiators with finite ground planes, the main challenge is characterising field diffract...

  6. Effects of Nb and Si on densities of valence electrons in bulk and defects of Fe3Al alloys

    Institute of Scientific and Technical Information of China (English)

    邓文; 钟夏平; 黄宇阳; 熊良钺; 王淑荷; 郭建亭; 龙期威

    1999-01-01

    Positron lifetime measurements have been performed in binary Fe3Al and Fe3Al doping with Nb or Si alloys. The densities of valence electrons of the bulk and microdefects in all tested samples have been calculated by using the positron lifetime parameters. Density of valence electron is low in the bulk of Fe3Al alloy. It indicates that, the 3d electrons in a Fe atom have strong-localized properties and tend to form covalent bonds with Al atoms, and the bonding nature in Fe3Al is a mixture of metallic and covalent bonds. The density of valence electron is very low in the defects of Fe3Al grain boundary, which makes the bonding cohesion in grain boundary quite weak. The addition of Si to Fe3Al gives rise to the decrease of the densities of valence electrons in the bulk and the grain boundary thus the metallic bonding cohesion. This makes the alloy more brittle. The addition of Nb to Fe3Al results in the decrease of the ordering energy of the alloy and increases the density of valence electron and th

  7. Electron density fluctuation measurements in the TORTUR tokamak

    International Nuclear Information System (INIS)

    Remkes, G.J.J.

    1990-01-01

    This thesis deals with measurements of electron-density fluctuations in the TORTUR tokamak. These measurements are carried out by making use of collective scattering of electromagnetic beams. The choice of the wavelength of the probing beam used in collective scattering experiments has important consequences. in this thesis it is argued that the best choice for a wavelength lies in the region 0.1 - 1 mm. Because sources in this region were not disposable a 2 mm collective scattering apparatus has been used as a fair compromise. The scattering theory, somewhat adapted to the specific TORTUR situation, is discussed in Ch. 2. Large scattering angles are admitted in scattering experiments with 2 mm probing beams. This had consequences for the spatial response functions. Special attention has been paid to the wave number resolution. Expressions for the minimum source power have been determined for two detection techniques. The design and implementation of the scattering apparatus has been described in Ch. 3. The available location of the scattering volume and values of the scattering angle have been determined. The effect of beam deflection due to refraction effects is evaluated. The electronic system is introduced. Ch. 4 presents the results of measurements of density fluctuations in the TORTUR tokamak in the frequency range 1 kHz to 100 MHz end the wave number region 400 - 4000 m -1 in different regions of the plasma. Correlation between density and magnetic fluctuations has been found in a number of cases. During the current decay at the termination of several plasma discharges minor disruptions occurred. The fluctuations during these disruptions have been monitored. Measurements have been performed in hydrogen as well as deuterium. A possible dependence of the wave number on the ion gyroradius has been investigated. The isotropy of the fluctuations in the poloidal plane was investigated. A theoretical discussion of the measured results is given in ch. 5. ( H.W.). 63

  8. Response of a core coherent density oscillation on electron cyclotron resonance heating in Heliotron J plasma

    Science.gov (United States)

    Kobayashi, T.; Kobayashi, S.; Lu, X. X.; Kenmochi, N.; Ida, K.; Ohshima, S.; Yamamoto, S.; Kado, S.; Kokubu, D.; Nagasaki, K.; Okada, H.; Minami, T.; Otani, Y.; Mizuuchi, T.

    2018-01-01

    We report properties of a coherent density oscillation observed in the core region and its response to electron cyclotron resonance heating (ECH) in Heliotron J plasma. The measurement was performed using a multi-channel beam emission spectroscopy system. The density oscillation is observed in a radial region between the core and the half radius. The poloidal mode number is found to be 1 (or 2). By modulating the ECH power with 100 Hz, repetition of formation and deformation of a strong electron temperature gradient, which is likely ascribed to be an electron internal transport barrier, is realized. Amplitude and rotation frequency of the coherent density oscillation sitting at the strong electron temperature gradient location are modulated by the ECH, while the poloidal mode structure remains almost unchanged. The change in the rotation velocity in the laboratory frame is derived. Assuming that the change of the rotation velocity is given by the background E × B velocity, a possible time evolution of the radial electric field was deduced.

  9. Empirical model for the electron density peak height disturbance in response to solar wind conditions

    Science.gov (United States)

    Blanch, E.; Altadill, D.

    2009-04-01

    Geomagnetic storms disturb the quiet behaviour of the ionosphere, its electron density and the electron density peak height, hmF2. Many works have been done to predict the variations of the electron density but few efforts have been dedicated to predict the variations the hmF2 under disturbed helio-geomagnetic conditions. We present the results of the analyses of the F2 layer peak height disturbances occurred during intense geomagnetic storms for one solar cycle. The results systematically show a significant peak height increase about 2 hours after the beginning of the main phase of the geomagnetic storm, independently of both the local time position of the station at the onset of the storm and the intensity of the storm. An additional uplift is observed in the post sunset sector. The duration of the uplift and the height increase are dependent of the intensity of the geomagnetic storm, the season and the local time position of the station at the onset of the storm. An empirical model has been developed to predict the electron density peak height disturbances in response to solar wind conditions and local time which can be used for nowcasting and forecasting the hmF2 disturbances for the middle latitude ionosphere. This being an important output for EURIPOS project operational purposes.

  10. Density Gradient Stabilization of Electron Temperature Gradient Driven Turbulence in a Spherical Tokamak

    International Nuclear Information System (INIS)

    Ren, Y.; Kaye, S.M.; Mazzucato, E.; Guttenfelder, W.; Bell, R.E.; Domier, C.W.; LeBlanc, B.P.; Lee, K.C.; Luhmann, N.C. Jr.; Smith, D.R.; Yuh, H.

    2011-01-01

    In this letter we report the first clear experimental observation of density gradient stabilization of electron temperature gradient driven turbulence in a fusion plasma. It is observed that longer wavelength modes, k (perpendicular) ρ s ∼< 10, are most stabilized by density gradient, and the stabilization is accompanied by about a factor of two decrease in the plasma effective thermal diffusivity.

  11. Cosmological equivalence principle and the weak-field limit

    International Nuclear Information System (INIS)

    Wiltshire, David L.

    2008-01-01

    The strong equivalence principle is extended in application to averaged dynamical fields in cosmology to include the role of the average density in the determination of inertial frames. The resulting cosmological equivalence principle is applied to the problem of synchronization of clocks in the observed universe. Once density perturbations grow to give density contrasts of order 1 on scales of tens of megaparsecs, the integrated deceleration of the local background regions of voids relative to galaxies must be accounted for in the relative synchronization of clocks of ideal observers who measure an isotropic cosmic microwave background. The relative deceleration of the background can be expected to represent a scale in which weak-field Newtonian dynamics should be modified to account for dynamical gradients in the Ricci scalar curvature of space. This acceleration scale is estimated using the best-fit nonlinear bubble model of the universe with backreaction. At redshifts z -10 ms -2 , is small, when integrated over the lifetime of the universe it amounts to an accumulated relative difference of 38% in the rate of average clocks in galaxies as compared to volume-average clocks in the emptiness of voids. A number of foundational aspects of the cosmological equivalence principle are also discussed, including its relation to Mach's principle, the Weyl curvature hypothesis, and the initial conditions of the universe.

  12. Robust Estimation of Electron Density From Anatomic Magnetic Resonance Imaging of the Brain Using a Unifying Multi-Atlas Approach

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Shangjie [Tianjin Key Laboratory of Process Measurement and Control, School of Electrical Engineering and Automation, Tianjin University, Tianjin (China); Department of Radiation Oncology, Stanford University School of Medicine, Palo Alto, California (United States); Hara, Wendy; Wang, Lei; Buyyounouski, Mark K.; Le, Quynh-Thu; Xing, Lei [Department of Radiation Oncology, Stanford University School of Medicine, Palo Alto, California (United States); Li, Ruijiang, E-mail: rli2@stanford.edu [Department of Radiation Oncology, Stanford University School of Medicine, Palo Alto, California (United States)

    2017-03-15

    Purpose: To develop a reliable method to estimate electron density based on anatomic magnetic resonance imaging (MRI) of the brain. Methods and Materials: We proposed a unifying multi-atlas approach for electron density estimation based on standard T1- and T2-weighted MRI. First, a composite atlas was constructed through a voxelwise matching process using multiple atlases, with the goal of mitigating effects of inherent anatomic variations between patients. Next we computed for each voxel 2 kinds of conditional probabilities: (1) electron density given its image intensity on T1- and T2-weighted MR images; and (2) electron density given its spatial location in a reference anatomy, obtained by deformable image registration. These were combined into a unifying posterior probability density function using the Bayesian formalism, which provided the optimal estimates for electron density. We evaluated the method on 10 patients using leave-one-patient-out cross-validation. Receiver operating characteristic analyses for detecting different tissue types were performed. Results: The proposed method significantly reduced the errors in electron density estimation, with a mean absolute Hounsfield unit error of 119, compared with 140 and 144 (P<.0001) using conventional T1-weighted intensity and geometry-based approaches, respectively. For detection of bony anatomy, the proposed method achieved an 89% area under the curve, 86% sensitivity, 88% specificity, and 90% accuracy, which improved upon intensity and geometry-based approaches (area under the curve: 79% and 80%, respectively). Conclusion: The proposed multi-atlas approach provides robust electron density estimation and bone detection based on anatomic MRI. If validated on a larger population, our work could enable the use of MRI as a primary modality for radiation treatment planning.

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

    International Nuclear Information System (INIS)

    Tait, E W; Payne, M C; Ratcliff, L E; Haynes, P D; Hine, N D M

    2016-01-01

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

  14. Atomic processes, cross sections, and reaction rates necessary for modelling hydrogen-negative-ion sources and identification of optimum H- current densities

    International Nuclear Information System (INIS)

    Hiskes, J.R.

    1991-01-01

    The principal electron excitation cross sections for vibrational excitation in a hydrogen discharge are reported. In the first chamber of a two-chamber hydrogen negative-ion-source system subject to the beam-line constraint of a maximum gas pressure, the density of vibrationally excited molecules reaches an asymptote for increasing discharge current or the equivalent fast electron density. Operating near this first-chamber asymptote, there exists a spatially-dependent maximum negative-ion density in the second chamber. With the extraction grid placed at this maximum the optimum performance of a hydrogen-based system is determined. This optimum performance provides a criterion for the selection of differing source types for fusion applications

  15. Proposed non-interferometric FIR electron density measuring scheme for Tokamaks

    Energy Technology Data Exchange (ETDEWEB)

    Dodel, G; Kunz, W [Stuttgart Univ. (TH) (Germany, F.R.). Inst. fuer Plasmaforschung

    1979-08-01

    Extension of FIR polarimetry to electron density measurements in Tokamaks is suggested as a possible alternative for devices in which FIR interferometry is not applicable or difficult to handle due to reduced accessibility or strong mechanical vibrations. The method is numerically simulated. The relative experimental simplicity compared with interferometry has to be paid for with symmetry assumptions which enter into the evaluation process.

  16. Electronic Structures of Strained InAs x P1-x by Density Functional Theory.

    Science.gov (United States)

    Lee, Seung Mi; Kim, Min-Young; Kim, Young Heon

    2018-09-01

    We investigated the effects of strain on the electronic structures of InAsxP1-x using quantum mechanical density functional theory calculations. The electronic band gap and electron effective mass decreased with the increase of the uniaxial tensile strain along the [0001] direction of wurtzite InAs0.75P0.25. Therefore, faster electron movements are expected. These theoretical results are in good agreement with the experimental measurements of InAs0.75P0.25 nanowire.

  17. Effective atomic number and electron density of marble concrete

    International Nuclear Information System (INIS)

    Akkurt, I.; El-Khayatt, A.M.

    2013-01-01

    The effective atomic numbers (Z eff ) and effective electron density (N e ) of different type concrete have been measured and the results were compared with the calculation obtained using the mass attenuation coefficients (μ/ρ) obtained via XCOM in the photon energy range of 1 keV-100 GeV. Six different concrete in where marble has been used in the rate of 0, 5, 10, 15, 20, 25 %, has been used in the study. (author)

  18. Skin Dose Equivalent Measurement from Neutron-Deficient Isotopes

    International Nuclear Information System (INIS)

    Hsu, Hsiao-Hua; Costigan, Steve A.; Romero, Leonard L.; Whicker, Jeffrey J.

    1997-12-01

    Neutron-deficient-isotopes decay via positron emission and/or electron capture often followed by x-ray, gamma-ray, and 0.511 MeV photons from positron annihilation. For cases of significant area and/or personnel contamination with these isotopes, determination of skin dose equivalent (SDE) is required by 10CFR835. For assessment of SDE, we evaluated the MICROSPEC-2(TM) system manufactured by Bubble Technology Industries of Canada which uses three different probes for dose measurement. We used two probes: (1) the X-probe which measures lower energy (4 - 120 keV) photon energy distributions and determines deep dose equivalent, SDE and dose equivalent to eyes, and (2) the B-probe which measures electron (positron) energy distributions, and determines skin dose equivalent. Also, the measured photon and beta spectra can be used to identify radioactive isotopes in the contaminated area. Measurements with several neutron-deficient sources showed that this system provided reasonably accurate SDE rate measurements when compared with calculated benchmark SDE rates with an average percent difference of 40%. Variations were expected because of differences between the assumed geometries used by MlCROSPEC-2 and the calculations when compared to the measurement conditions

  19. Electrons of high perpendicular energy in the low-density regime of Tokamaks

    International Nuclear Information System (INIS)

    Bornatici, M.; Engelmann, F.

    1978-01-01

    Effects due to instabilities excited in the low-density regime of tokamaks by runaway electrons via the cyclotron resonance ω+Ω=kV along with the formation of a positive slope in the runaway distribution are considered. Conditions for the production of electrons of high perpendicular energy and their trapping in toroidal field ripples, leading to liner damage, are discussed and found to be rather stringent. Fairly good agreement with the experiments is found

  20. Cooling of high-density and power electronics by means of heat pipes

    International Nuclear Information System (INIS)

    Hubbeling, L.

    1980-06-01

    This report describes how heat pipes can be used for cooling modern electronic equipment, with numerous advantages over air-cooled systems. A brief review of heat-pipe properties is given, with a detailed description of a functioning prototype. This is a single-width CAMAC unit containing high-density electronic circuits cooled by three heat pipes, and allowing a dissipation of over 120 W instead of the normal maximum of 20 W. (orig.)

  1. Electron temperature and density relaxations during internal disruptions in TFR Tokamak plasmas

    International Nuclear Information System (INIS)

    Enriques, L.; Sand, F.

    1977-01-01

    Several diagnostics (soft X-ray, Thompson scattering, high frequency waves, and vacuum ultraviolet spectroscopy) have been used on TFR Tokamak plasmas in order to show that the soft X-ray relaxations are mainly due to electron temperature relaxations, with only small variations of the electron density. Values of ΔTsub(eo)/Tsub(eo) up to 17% and of Δnsub(eo)/nsub(eo) of a few % or less have been measured. (author)

  2. Electron temperature and density relaxations during internal disruptions in TFR Tokamak plasmas

    International Nuclear Information System (INIS)

    1976-07-01

    Several diagnostics (soft X-ray, Thomson scattering, high frequency waves, and vacuum ultraviolet spectroscopy) have been used on TFR Tokamak plasmas in order to show that the soft X-ray relaxations are mainly due to electron temperature relaxations, with only small variations of the electron density. Values of ΔTsub(e0)/Tsub(e0) up to 17% and of Δnsub(e0)/nsub(e0) of a few % or less have been measured

  3. Simultaneous measurement of line electron density and Faraday rotation in the ISX-B tokamak

    International Nuclear Information System (INIS)

    Hutchinson, D.P.; Ma, C.H.; Staats, P.A.; Vander Sluis, K.L.

    1981-01-01

    A new diagnostic system utilizing a submillimetre-wave, phase-modulated polarimeter/interferometer has been used to simultaneously measure the time evolution of the line-averaged electron density and poloidal field-induced Faraday rotation in the ISX-B tokamak. The measurements, performed along four chords of the plasma column, have been correlated with poloidal field changes associated with a ramp in the Ohmic-heating current and by neutral-beam injection. These are the first simultaneous measurements of line electron density and Faraday rotation to be made along a chord of submillimetre laser beam in a tokamak plasma. (author)

  4. Spatially resolved electron density and electron energy distribution function in Ar magnetron plasmas used for sputter-deposition of ZnO-based thin films

    Energy Technology Data Exchange (ETDEWEB)

    Maaloul, L.; Gangwar, R. K.; Morel, S.; Stafford, L., E-mail: luc.stafford@umontreal.ca [Département de Physique, Université de Montréal, Montréal, Québec H3C 3J7 (Canada)

    2015-11-15

    Langmuir probe and trace rare gases optical emission spectroscopy were used to analyze the spatial structure of the electron density and electron energy distribution function (EEDF) in a cylindrical Ar magnetron plasma reactor used for sputter-deposition of ZnO-based thin films. While a typical Bessel (zero order) diffusion profile was observed along the radial direction for the number density of charged particles at 21 cm from the ZnO target, a significant rise of these populations with respect to the Bessel function was seen in the center of the reactor at 4 cm from the magnetron surface. As for the EEDF, it was found to transform from a more or less Maxwellian far from the target to a two-temperature Maxwellian with a depletion of high-energy electrons where magnetic field confinement effects become important. No significant change in the behavior of the electron density and EEDF across a wide range of pressures (5–100 mTorr) and self-bias voltages (115–300 V) was observed during magnetron sputtering of Zn, ZnO, and In{sub 2}O{sub 3} targets. This indicates that sputtering of Zn, In, and O atoms do not play a very significant role on the electron particle balance and electron heating dynamics, at least over the range of experimental conditions investigated.

  5. SOLAR NEUTRINO PHYSICS OSCILLATIONS: SENSITIVITY TO THE ELECTRONIC DENSITY IN THE SUN'S CORE

    Energy Technology Data Exchange (ETDEWEB)

    Lopes, Ilidio [Centro Multidisciplinar de Astrofisica, Instituto Superior Tecnico, Universidade Tecnica de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); Turck-Chieze, Sylvaine, E-mail: ilidio.lopes@ist.utl.pt, E-mail: ilopes@uevora.pt, E-mail: sylvaine.turck-chieze@cea.fr [CEA/IRFU/Service d' Astrophysique, CE Saclay, F-91191 Gif sur Yvette (France)

    2013-03-01

    Solar neutrinos coming from different nuclear reactions are now detected with high statistics. Consequently, an accurate spectroscopic analysis of the neutrino fluxes arriving on Earth's detectors becomes available, in the context of neutrino oscillations. In this work, we explore the possibility of using this information to infer the radial profile of the electronic density in the solar core. So, we discuss the constraints on the Sun's density and chemical composition that can be determined from solar neutrino observations. This approach constitutes an independent and alternative diagnostic to the helioseismic investigations already done. The direct inversion method, which we propose to obtain the radial solar electronic density profile, is almost independent of the solar model.

  6. High frequency electric field spikes formed by electron beam-plasma interaction in plasma density gradients

    International Nuclear Information System (INIS)

    Gunell, H.; Loefgren, T.

    1997-02-01

    In the electron beam-plasma interaction at an electric double layer the beam density is much higher than in the classical beam-plasma experiments. The wave propagation takes place along the density gradient, that is present at the high potential side of the double layer. Such a case is studied experimentally by injecting the electron beam from a plane cathode, without any grids suppressing the gradient, and by particle simulations. The high frequency field concentrates in a sharp 'spike' with a half width of the order of one wavelength. The spike is found to be a standing wave surrounded by regions dominated by propagating waves. It forms at a position where its frequency is close to the local plasma frequency. The spike forms also when the electric field is well below the threshold for modulational instability, and long before a density cavity is formed in the simulations. Particle simulations reveal that, at the spike, there is a backward travelling wave that, when it is strongly damped, accelerates electrons back towards the cathode. In a simulation of a homogeneous plasma without the density gradient no spike is seen, and the wave is purely travelling instead of standing. 9 refs

  7. Plasma Density Tapering for Laser Wakefield Acceleration of Electrons and Protons

    International Nuclear Information System (INIS)

    Ting, A.; Gordon, D.; Kaganovich, D.; Sprangle, P.; Helle, M.; Hafizi, B.

    2010-01-01

    Extended acceleration in a Laser Wakefield Accelerator can be achieved by tailoring the phase velocity of the accelerating plasma wave, either through profiling of the density of the plasma or direct manipulation of the phase velocity. Laser wakefield acceleration has also reached a maturity that proton acceleration by wakefield could be entertained provided we begin with protons that are substantially relativistic, ∼1 GeV. Several plasma density tapering schemes are discussed. The first scheme is called ''bucket jumping'' where the plasma density is abruptly returned to the original density after a conventional tapering to move the accelerating particles to a neighboring wakefield period (bucket). The second scheme is designed to specifically accelerate low energy protons by generating a nonlinear wakefield in a plasma region with close to critical density. The third scheme creates a periodic variation in the phase velocity by beating two intense laser beams with laser frequency difference equal to the plasma frequency. Discussions and case examples with simulations are presented where substantial acceleration of electrons or protons could be obtained.

  8. Nonequilibrium statistical operator in hot-electron transport theory

    International Nuclear Information System (INIS)

    Xing, D.Y.; Liu, M.

    1991-09-01

    The Nonequilibrium Statistical Operator method developed by Zubarev is generalized and applied to the study of hot-electron transport in semiconductors. The steady-state balance equations for momentum and energy are derived to the lowest order in the electron-lattice coupling. We show that the derived balance equations are exactly the same as those obtained by Lei and Ting. This equivalence stems from the fact that to the linear order in the electron-lattice coupling, two statistical density matrices have identical effect when they are used to calculate the average value of a dynamical operator. The application to the steady-state and transient hot-electron transport in multivalley semiconductors is also discussed. (author). 28 refs, 1 fig

  9. Comparison of dose calculation algorithms in phantoms with lung equivalent heterogeneities under conditions of lateral electronic disequilibrium

    International Nuclear Information System (INIS)

    Carrasco, P.; Jornet, N.; Duch, M.A.; Weber, L.; Ginjaume, M.; Eudaldo, T.; Jurado, D.; Ruiz, A.; Ribas, M.

    2004-01-01

    An extensive set of benchmark measurement of PDDs and beam profiles was performed in a heterogeneous layer phantom, including a lung equivalent heterogeneity, by means of several detectors and compared against the predicted dose values by different calculation algorithms in two treatment planning systems. PDDs were measured with TLDs, plane parallel and cylindrical ionization chambers and beam profiles with films. Additionally, Monte Carlo simulations by meansof the PENELOPE code were performed. Four different field sizes (10x10, 5x5, 2x2, and1x1 cm 2 ) and two lung equivalent materials (CIRS, ρ e w =0.195 and St. Bartholomew Hospital, London, ρ e w =0.244-0.322) were studied. The performance of four correction-based algorithms and one based on convolution-superposition was analyzed. The correction-based algorithms were the Batho, the Modified Batho, and the Equivalent TAR implemented in the Cadplan (Varian) treatment planning system and the TMS Pencil Beam from the Helax-TMS (Nucletron) treatment planning system. The convolution-superposition algorithm was the Collapsed Cone implemented in the Helax-TMS. The only studied calculation methods that correlated successfully with the measured values with a 2% average inside all media were the Collapsed Cone and the Monte Carlo simulation. The biggest difference between the predicted and the delivered dose in the beam axis was found for the EqTAR algorithm inside the CIRS lung equivalent material in a 2x2 cm 2 18 MV x-ray beam. In these conditions, average and maximum difference against the TLD measurements were 32% and 39%, respectively. In the water equivalent part of the phantom every algorithm correctly predicted the dose (within 2%) everywhere except very close to the interfaces where differences up to 24% were found for 2x2 cm 2 18 MV photon beams. Consistent values were found between the reference detector (ionization chamber in water and TLD in lung) and Monte Carlo simulations, yielding minimal differences (0

  10. The determination of electron momentum densities by inelastic scattering gamma-ray-electron coincidence measurements: The (γ,eγ)-experiment

    International Nuclear Information System (INIS)

    Rollason, A.J.; Bell, F.; Schneider, J.R.

    1989-09-01

    Measurements have been made of the recoiling electron in 320 keV gamma ray inelastic scattering collisions in thin aluminium targets. The angular correlation of these electrons detected in coincidence with the scattered photon is in agreement with the kinematic requirements of the Compton effect and is correctly predicted by Monte Carlo simulations based on the impulse approximation. Further simulations of ideal-geometry experiments indicate that information about the initial electron momenta is available from an examination of those electron-photon events originating in a surface layer of one electronic mean free path depth and that elastic scattering of the recoil electrons from greater depths produces a nearly flat background to this signal. The results clearly demonstrate the feasibility of the (γ,eγ) experiment for studying electron momentum densities with synchrotron radiation. (orig.) With 23 refs., 17 figs

  11. Electron density profile reconstruction by maximum entropy method with multichannel HCN laser interferometer system on SPAC VII

    International Nuclear Information System (INIS)

    Kubo, S.; Narihara, K.; Tomita, Y.; Hasegawa, M.; Tsuzuki, T.; Mohri, A.

    1988-01-01

    A multichannel HCN laser interferometer system has been developed to investigate the plasma electron confinement properties in SPAC VII device. Maximum entropy method is applied to reconstruct the electron density profile from measured line integrated data. Particle diffusion coefficient in the peripheral region of the REB ring core spherator was obtained from the evolution of the density profile. (author)

  12. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Dale, Stephen G., E-mail: sdale@ucmerced.edu [Chemistry and Chemical Biology, School of Natural Sciences, University of California, Merced, 5200 North Lake Road, Merced, California 95343 (United States); Johnson, Erin R., E-mail: erin.johnson@dal.ca [Department of Chemistry, Dalhousie University, 6274 Coburg Road, Halifax, Nova Scotia B3H 4R2 (Canada)

    2015-11-14

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

  14. Electron-hole drop (EHD) stability in deformation potential well

    International Nuclear Information System (INIS)

    Makarov, A.G.; Tikhodeev, S.G.

    1984-01-01

    In heterogeneously-deformed Ge the stability of electron-hole droplets (EHD) being in a potential well is considered. It is shown that the potential well effect is equivalent to the decrease of effective density of phonon EHD charge. It is pointed out that heating EHD (for example, by IR radiation), can increase the phonon droplet charge and affect its stability

  15. Nonlinear electron-density distribution around point defects in simple metals. I. Formulation

    International Nuclear Information System (INIS)

    Gupta, A.K.; Jena, P.; Singwi, K.S.

    1978-01-01

    Modification, which is exact in the limit of long wavelength, of the nonlinear theory of Sjoelander and Stott of electron distribution around point defects is given. This modification consists in writing a nonlinear integral equations for the Fourier transform γ 12 (q) of the induced charge density surrounding the point defect, which includes a term involving the density derivative of γ 12 (q). A generalization of the Pauli-Feynman coupling-constant-integration method, together with the Kohn-Sham formalism, is used to exactly determine the coefficient of this derivative term in the long-wavelength limit. The theory is then used to calculate electron-density profiles around a vacancy, an eight-atom void, and a point ion. The results are compared with those of (i) a linear theory, (ii) Sjoelander-Stott theory, and (iii) a fully self-consistent calculation based on the density-functional formalism of Kohn and Sham. It is found that in the case of a vacancy, the results of the present theory are in very good agreement with those based on Kohn-Sham formalism, whereas in the case of a singular attractive potential of a proton, the results are quite poor in the vicinity of the proton, but much better for larger distances. A critical discussion of the theory vis a vis the Kohn-Sham formalism is also given. Some applications of the theory are pointed out

  16. Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach

    DEFF Research Database (Denmark)

    Gavnholt, Jeppe; Rubio, Angel; Olsen, Thomas

    2009-01-01

    Using time-evolution time-dependent density functional theory (TDDFT) within the adiabatic local-density approximation, we study the interactions between single electrons and molecular resonances at surfaces. Our system is a nitrogen molecule adsorbed on a ruthenium surface. The surface is modele...... resonance and the lowering of the resonance energy due to an image charge effect. Finally we apply the TDDFT procedure to only consider the decay of molecular excitations and find that it agrees quite well with the width of the projected density of Kohn-Sham states....

  17. 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

  18. An Advantage of the Equivalent Velocity Spectroscopy for Femtsecond Pulse Radiolysis

    CERN Document Server

    Kondoh, Takafumi; Tagawa, Seiichi; Tomosada, Hiroshi; Yang Jin Feng; Yoshida, Yoichi

    2005-01-01

    For studies of electron beam induced ultra-fast reaction process, femtosecond(fs) pulse radiolysis is under construction. To realize fs time resolution, fs electron and analyzing light pulses and their jitter compensation system are needed. About a 100fs electron pulse was generated by a photocathode RF gun linac and a magnetic pulse compressor. Synchronized Ti: Sapphire laser have a puleswidth about 160fs. And, it is significant to avoid degradation of time resolution caused by velocity difference between electron and analyzing light in a sample. In the 'Equivalent velocity spectroscopy' method, incident analyzing light is slant toward electron beam with an angle associated with refractive index of sample. Then, to overlap light wave front and electron pulse shape, electron pulse shape is slanted toward the direction of travel. As a result of the equivalent velocity spectroscopy for hydrated electrons, using slanted electron pulse shape, optical absorption rise time was about 1.4ps faster than normal electro...

  19. Variational and robust density fitting of four-center two-electron integrals in local metrics

    Science.gov (United States)

    Reine, Simen; Tellgren, Erik; Krapp, Andreas; Kjærgaard, Thomas; Helgaker, Trygve; Jansik, Branislav; Høst, Stinne; Salek, Paweł

    2008-09-01

    Density fitting is an important method for speeding up quantum-chemical calculations. Linear-scaling developments in Hartree-Fock and density-functional theories have highlighted the need for linear-scaling density-fitting schemes. In this paper, we present a robust variational density-fitting scheme that allows for solving the fitting equations in local metrics instead of the traditional Coulomb metric, as required for linear scaling. Results of fitting four-center two-electron integrals in the overlap and the attenuated Gaussian damped Coulomb metric are presented, and we conclude that density fitting can be performed in local metrics at little loss of chemical accuracy. We further propose to use this theory in linear-scaling density-fitting developments.

  20. DAMPING OF ELECTRON DENSITY STRUCTURES AND IMPLICATIONS FOR INTERSTELLAR SCINTILLATION

    International Nuclear Information System (INIS)

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

    2011-01-01

    The forms of electron density structures in kinetic Alfven wave (KAW) turbulence are studied in connection with scintillation. The focus is on small scales L ∼ 10 8 -10 10 cm where the KAW regime is active in the interstellar medium, principally within turbulent H II regions. Scales at 10 times the ion gyroradius and smaller are inferred to dominate scintillation in the theory of Boldyrev et al. From numerical solutions of a decaying KAW turbulence model, structure morphology reveals two types of localized structures, filaments and sheets, and shows that they arise in different regimes of resistive and diffusive damping. Minimal resistive damping yields localized current filaments that form out of Gaussian-distributed initial conditions. When resistive damping is large relative to diffusive damping, sheet-like structures form. In the filamentary regime, each filament is associated with a non-localized magnetic and density structure, circularly symmetric in cross section. Density and magnetic fields have Gaussian statistics (as inferred from Gaussian-valued kurtosis) while density gradients are strongly non-Gaussian, more so than current. This enhancement of non-Gaussian statistics in a derivative field is expected since gradient operations enhance small-scale fluctuations. The enhancement of density gradient kurtosis over current kurtosis is not obvious, yet it suggests that modest density fluctuations may yield large scintillation events during pulsar signal propagation. In the sheet regime the same statistical observations hold, despite the absence of localized filamentary structures. Probability density functions are constructed from statistical ensembles in both regimes, showing clear formation of long, highly non-Gaussian tails.

  1. Electron density distribution in ferromagnetic nickel: A γ -ray diffraction study

    Science.gov (United States)

    Jauch, W.; Reehuis, M.

    2008-12-01

    High-accuracy single-crystal structure factors, complete up to sinθ/λ=1.9Å-1 , have been measured from ferromagnetic nickel at 295 K using 316.5-keV gamma radiation. The experimental uncertainty of the structure factors is of the order of 10 millielectrons per atom for all data. A detailed description of the electron density distribution is presented in terms of a multipolar atomic deformation model. Achievement of a reliable Debye-Waller factor is of vital importance in this context. The charge asphericity is due to an excess eg orbital occupancy of 43.4(2)%. The 3d shell in the metal is contracted by 2.07(5)% relative to the free atom. The results are discussed and compared with earlier experimental and theoretical works. In contrast to bcc Cr and Fe, solid-state effects are less pronounced in fcc Ni. Clear disentanglement between the 3d and 4s valence electrons could be accomplished for the first time. The general expectation that the number of 3d electrons in the metal should be increased as compared to the atom was confirmed in the case of iron by combining spin and charge-density data. In the case of nickel, it is rejected as revealed by the γ -ray data alone. Only with the d8 configuration, consistency is achieved between observed and refined mosaic widths of the sample crystal. A 3d8 configuration implies that the majority-spin d band cannot be full. Strong support is lent to a localized atomic character of the valence electrons.

  2. van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections

    International Nuclear Information System (INIS)

    Angyan, Janos G.; Gerber, Iann C.; Savin, Andreas; Toulouse, Julien

    2005-01-01

    Long-range exchange and correlation effects, responsible for the failure of currently used approximate density functionals in describing van der Waals forces, are taken into account explicitly after a separation of the electron-electron interaction in the Hamiltonian into short- and long-range components. We propose a 'range-separated hybrid' functional based on a local density approximation for the short-range exchange-correlation energy, combined with a long-range exact exchange energy. Long-range correlation effects are added by a second-order perturbational treatment. The resulting scheme is general and is particularly well adapted to describe van der Waals complexes, such as rare gas dimers

  3. Electron density and temperature profile diagnostics for C-2 field reversed configuration plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Deng, B. H.; Kinley, J. S.; Schroeder, J. [Tri Alpha Energy, Inc., Rancho Santa Margarita, California 92688 (United States)

    2012-10-15

    The 9-point Thomson scattering diagnostic system for the C-2 field reversed configuration plasmas is improved and the measured electron temperature profiles are consistent with theoretical expectations. Rayleigh scattering revealed a finite line width of the ruby laser emission, which complicates density calibration. Taking advantage of the plasma wobble motion, density profile reconstruction accuracy from the 6-chord two-color CO{sub 2}/HeNe interferometer data is improved.

  4. Local-scaling density-functional method: Intraorbit and interorbit density optimizations

    International Nuclear Information System (INIS)

    Koga, T.; Yamamoto, Y.; Ludena, E.V.

    1991-01-01

    The recently proposed local-scaling density-functional theory provides us with a practical method for the direct variational determination of the electron density function ρ(r). The structure of ''orbits,'' which ensures the one-to-one correspondence between the electron density ρ(r) and the N-electron wave function Ψ({r k }), is studied in detail. For the realization of the local-scaling density-functional calculations, procedures for intraorbit and interorbit optimizations of the electron density function are proposed. These procedures are numerically illustrated for the helium atom in its ground state at the beyond-Hartree-Fock level

  5. Electronic density measurement in the TB R-1 tokamak using Faraday rotation

    International Nuclear Information System (INIS)

    Elizondo, Juan Iraburu

    1996-01-01

    In this work, the experimental results of electronic density measurements in the TBR-1 tokamak, obtained by Faraday rotation of a microwave beam, are presented, The beam (65 GHz, 500 MW) is generated by a Klystron and crosses the plasma in the horizontal plane. The density values obtained are in agreement with the measurements of a conventional microwave interferometer. As a result of numerical simulations and measurements, it can be concluded that it would be advisable the use of lower wavelengths, to minimize the beam refraction when it crosses the plasma. The results show the feasibility of the Faraday rotation method for density measurement, in the first experiment performed in a tokamak, for the geometry considered. (author)

  6. Universal global imprints of genome growth and evolution--equivalent length and cumulative mutation density.

    Directory of Open Access Journals (Sweden)

    Hong-Da Chen

    Full Text Available BACKGROUND: Segmental duplication is widely held to be an important mode of genome growth and evolution. Yet how this would affect the global structure of genomes has been little discussed. METHODS/PRINCIPAL FINDINGS: Here, we show that equivalent length, or L(e, a quantity determined by the variance of fluctuating part of the distribution of the k-mer frequencies in a genome, characterizes the latter's global structure. We computed the L(es of 865 complete chromosomes and found that they have nearly universal but (k-dependent values. The differences among the L(e of a chromosome and those of its coding and non-coding parts were found to be slight. CONCLUSIONS: We verified that these non-trivial results are natural consequences of a genome growth model characterized by random segmental duplication and random point mutation, but not of any model whose dominant growth mechanism is not segmental duplication. Our study also indicates that genomes have a nearly universal cumulative "point" mutation density of about 0.73 mutations per site that is compatible with the relatively low mutation rates of (1-5 x 10(-3/site/Mya previously determined by sequence comparison for the human and E. coli genomes.

  7. Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR) inspired interpretation.

    Science.gov (United States)

    Andrés, Juan; Berski, Sławomir; Silvi, Bernard

    2016-07-07

    Probing the electron density transfers during a chemical reaction can provide important insights, making possible to understand and control chemical reactions. This aim has required extensions of the relationships between the traditional chemical concepts and the quantum mechanical ones. The present work examines the detailed chemical insights that have been generated through 100 years of work worldwide on G. N. Lewis's ground breaking paper on The Atom and the Molecule (Lewis, G. N. The Atom and the Molecule, J. Am. Chem. Soc. 1916, 38, 762-785), with a focus on how the determination of reaction mechanisms can be reached applying the bonding evolution theory (BET), emphasizing how curly arrows meet electron density transfers in chemical reaction mechanisms and how the Lewis structure can be recovered. BET that combines the topological analysis of the electron localization function (ELF) and Thom's catastrophe theory (CT) provides a powerful tool providing insight into molecular mechanisms of chemical rearrangements. In agreement with physical laws and quantum theoretical insights, BET can be considered as an appropriate tool to tackle chemical reactivity with a wide range of possible applications. Likewise, the present approach retrieves the classical curly arrows used to describe the rearrangements of chemical bonds for a given reaction mechanism, providing detailed physical grounds for this type of representation. The ideas underlying the valence-shell-electron pair-repulsion (VSEPR) model applied to non-equilibrium geometries provide simple chemical explanations of density transfers. For a given geometry around a central atom, the arrangement of the electronic domain may comply or not with the VSEPR rules according with the valence shell population of the considered atom. A deformation yields arrangements which are either VSEPR defective (at least a domain is missing to match the VSEPR arrangement corresponding to the geometry of the ligands), VSEPR compliant

  8. Electron beam manipulation, injection and acceleration in plasma wakefield accelerators by optically generated plasma density spikes

    Energy Technology Data Exchange (ETDEWEB)

    Wittig, Georg; Karger, Oliver S.; Knetsch, Alexander [Institute of Experimental Physics, University of Hamburg, 22761 Hamburg (Germany); Xi, Yunfeng; Deng, Aihua; Rosenzweig, James B. [Particle Beam Physics Laboratory, UCLA, Los Angeles, CA 90095 (United States); Bruhwiler, David L. [RadiaSoft LLC, Boulder, CO 80304 (United States); RadiaBeam Technologies LLC (United States); Smith, Jonathan [Tech-X UK Ltd, Daresbury, Cheshire WA4 4FS (United Kingdom); Sheng, Zheng-Ming; Jaroszynski, Dino A.; Manahan, Grace G. [Physics Department, SUPA, University of Strathclyde, Glasgow G4 0NG (United Kingdom); Hidding, Bernhard [Institute of Experimental Physics, University of Hamburg, 22761 Hamburg (Germany); Physics Department, SUPA, University of Strathclyde, Glasgow G4 0NG (United Kingdom)

    2016-09-01

    We discuss considerations regarding a novel and robust scheme for optically triggered electron bunch generation in plasma wakefield accelerators [1]. In this technique, a transversely propagating focused laser pulse ignites a quasi-stationary plasma column before the arrival of the plasma wake. This localized plasma density enhancement or optical “plasma torch” distorts the blowout during the arrival of the electron drive bunch and modifies the electron trajectories, resulting in controlled injection. By changing the gas density, and the laser pulse parameters such as beam waist and intensity, and by moving the focal point of the laser pulse, the shape of the plasma torch, and therefore the generated trailing beam, can be tuned easily. The proposed method is much more flexible and faster in generating gas density transitions when compared to hydrodynamics-based methods, and it accommodates experimentalists needs as it is a purely optical process and straightforward to implement.

  9. Preparation of water-equivalent radioactive solid sources

    International Nuclear Information System (INIS)

    Yamazaki, Ione M.; Koskinas, Marina F.; Dias, Mauro S.

    2011-01-01

    The development of water-equivalent solid sources in two geometries, cylindrical and flat without the need of irradiation in a strong gamma radiation source to obtain polymerization is described. These sources should have density similar to water and good uniformity. Therefore, the density and uniformity of the distribution of radioactive material in the resins were measured. The variation of these parameters in the cylindrical geometry was better than 2.0% for the density and 2.3% for the uniformity and for the flat geometry the values obtained were better than 2.0 % and better than 1.3%, respectively. These values are in good agreement with the literature. (author)

  10. Time delay occultation data of the Helios spacecraft for probing the electron density distribution in the solar corona

    Science.gov (United States)

    Edenhofer, P.; Lueneburg, E.; Esposito, P. B.; Martin, W. L.; Zygielbaum, A. I.; Hansen, R. T.; Hansen, S. F.

    1978-01-01

    S-band time delay measurements were collected from the spacecraft Helios A and B during three solar occultations in 1975/76 within heliocentric distances of about 3 and 215 earth radius in terms of range, Doppler frequency shift, and electron content. Characteristic features of measurement and data processing are described. Typical data sets are discussed to probe the electron density distribution near the sun (west and east limb as well) including the outer and extended corona. Steady-state and dynamical aspects of the solar corona are presented and compared with earth-bound-K-coronagraph measurements. Using a weighted least squares estimation, parameters of an average coronal electron density profile are derived in a preliminary analysis to yield electron densities at r = 3, 65, 215 earth radius. Transient phenomena are discussed and a velocity of propagation v is nearly equal to 900 km/s is determined for plasma ejecta from a solar flare observed during an extraordinary set of Helios B electron content measurements.

  11. Electron density and temperature determination in a Tokamak plasma using light scattering

    International Nuclear Information System (INIS)

    Perez-Navarro Gomez, A.; Zurro Hernandez, B.

    1976-01-01

    A theoretical foundation review for light scattering by plasmas is presented. Furthemore, a review of the experimental methods for electron density and temperature measurements, with spatial and time resolution, is included in a Tokamak plasma using spectral analysis of the scattered radiation. (author) [es

  12. Malate-aspartate shuttle and exogenous NADH/cytochrome c electron transport pathway as two independent cytosolic reducing equivalent transfer systems.

    Science.gov (United States)

    Abbrescia, Daniela Isabel; La Piana, Gianluigi; Lofrumento, Nicola Elio

    2012-02-15

    In mammalian cells aerobic oxidation of glucose requires reducing equivalents produced in glycolytic phase to be channelled into the phosphorylating respiratory chain for the reduction of molecular oxygen. Data never presented before show that the oxidation rate of exogenous NADH supported by the malate-aspartate shuttle system (reconstituted in vitro with isolated liver mitochondria) is comparable to the rate obtained on activation of the cytosolic NADH/cytochrome c electron transport pathway. The activities of these two reducing equivalent transport systems are independent of each other and additive. NADH oxidation induced by the malate-aspartate shuttle is inhibited by aminooxyacetate and by rotenone and/or antimycin A, two inhibitors of the respiratory chain, while the NADH/cytochrome c system remains insensitive to all of them. The two systems may simultaneously or mutually operate in the transfer of reducing equivalents from the cytosol to inside the mitochondria. In previous reports we suggested that the NADH/cytochrome c system is expected to be functioning in apoptotic cells characterized by the presence of cytochrome c in the cytosol. As additional new finding the activity of reconstituted shuttle system is linked to the amount of α-ketoglutarate generated inside the mitochondria by glutamate dehydrogenase rather than by aspartate aminotransferase. Copyright © 2011 Elsevier Inc. All rights reserved.

  13. Commensurate and incommensurate spin-density waves in heavy electron systems

    Directory of Open Access Journals (Sweden)

    P. Schlottmann

    2016-05-01

    Full Text Available The nesting of the Fermi surfaces of an electron and a hole pocket separated by a nesting vector Q and the interaction between electrons gives rise to itinerant antiferromagnetism. The order can gradually be suppressed by mismatching the nesting and a quantum critical point (QCP is obtained as the Néel temperature tends to zero. The transfer of pairs of electrons between the pockets can lead to a superconducting dome above the QCP (if Q is commensurate with the lattice, i.e. equal to G/2. If the vector Q is not commensurate with the lattice there are eight possible phases: commensurate and incommensurate spin and charge density waves and four superconductivity phases, two of them with modulated order parameter of the FFLO type. The renormalization group equations are studied and numerically integrated. A re-entrant SDW phase (either commensurate or incommensurate is obtained as a function of the mismatch of the Fermi surfaces and the magnitude of |Q − G/2|.

  14. Properties of ion temperature gradient and trapped electron modes in tokamak plasmas with inverted density profiles

    Science.gov (United States)

    Du, Huarong; Jhang, Hogun; Hahm, T. S.; Dong, J. Q.; Wang, Z. X.

    2017-12-01

    We perform a numerical study of linear stability of the ion temperature gradient (ITG) mode and the trapped electron mode (TEM) in tokamak plasmas with inverted density profiles. A local gyrokinetic integral equation is applied for this study. From comprehensive parametric scans, we obtain stability diagrams for ITG modes and TEMs in terms of density and temperature gradient scale lengths. The results show that, for the inverted density profile, there exists a normalized threshold temperature gradient above which the ITG mode and the TEM are either separately or simultaneously unstable. The instability threshold of the TEM for the inverted density profile is substantially different from that for normal and flat density profiles. In addition, deviations are found on the ITG threshold from an early analytic theory in sheared slab geometry with the adiabatic electron response [T. S. Hahm and W. M. Tang, Phys. Fluids B 1, 1185 (1989)]. A possible implication of this work on particle transport in pellet fueled tokamak plasmas is discussed.

  15. Understanding differences in dose-equivalents reported by passive and electronic personal dosemeters

    International Nuclear Information System (INIS)

    Perks, Christopher A.; Burgess, Peter; Smith, David; Salasky, Mark; Yahnke, Cliff

    2008-01-01

    Full text: In a number of challenging environments, clients occasionally double badge with electronic personal dosemeters (EPDs) to ensure day-to-day management of their employees personal dose-equivalent while using passive (in our case Luxel or InLight) dosemeters for monthly monitoring for approved results for dose record keeping. In some cases there have been significant differences in the cumulative doses recorded by the EPDs and the passive dosemeters. In these circumstances the passive dosemeters usually report a higher dose than the EPD by up to a factor of two, though more commonly 1.3. In this paper we describe the differences seen between EPD and passive dosemeters (in a number of countries). We then examine the possible causes for such discrepancies by comparison with published response function data available for the EPDs and Landauer dosemeters. We have undertaken a number of experiments comparing directly a number of EPDs and passive dosemeter response to a variety of energy and complex angular geometries where the two types of dosimeter have been exposed at the same time. Recommendations will be made on the appropriate use of double badging in difficult environments and interpretation of the results. (author)

  16. Pulsed time-of-flight refractometry measurements of the electron density in the T-11M tokamak

    International Nuclear Information System (INIS)

    Petrov, A.A.; Petrov, V.G.; Malyshev, A.Yu.; Markov, V.K.; Babarykin, A.V.

    2002-01-01

    A new method for measuring the plasma density in magnetic confinement systems - pulsed time-of-flight refractometry - is developed and tested experimentally in the T-11M tokamak. The method is based on the measurements of the time delay of short (with a duration of several nanoseconds) microwave pulses propagating through the plasma. When the probing frequency is much higher than the plasma frequency, the measured delay in the propagation time is proportional to the line-averaged electron density regardless of the density profile. A key problem in such measurements is the short time delay of the pulse in the plasma (∼1 ns or less for small devices) and, consequently, low accuracy of the measurements of the average density. Various methods for improving the accuracy of such measurements are proposed and implemented in the T-11M experiments. The measurements of the line-averaged density in the T-11M tokamak in the low-density plasma regime are performed. The results obtained agree satisfactorily with interferometric data. The measurement errors are analyzed, and the possibility of using this technique to measure the electron density profile and the position of the plasma column is discussed

  17. 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.

  18. 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.

  19. Hollow density profile on electron cyclotron resonance heating JFT-2M plasma

    International Nuclear Information System (INIS)

    Yamauchi, Toshihiko; Hoshino, Katsumichi; Kawashima, Hisato; Ogawa, Toshihide; Kawakami, Tomohide; Shiina, Tomio; Ishige, Youichi

    1998-01-01

    The first hollow electron density profile in the central region on the JAERI Fusion Torus-2M (JFT-2M) is measured during electron cyclotron resonance heating (ECRH) with a TV Thomson scattering system (TVTS). The peripheral region is not hollow but is accumulated due to pump-out from the central region. The hollowness increases with time but is saturated at ∼40 ms and maintains a constant hollow ratio. The hollowness is strongly related to the steep temperature gradient of the heated zone. (author)

  20. SU-G-JeP2-02: A Unifying Multi-Atlas Approach to Electron Density Mapping Using Multi-Parametric MRI for Radiation Treatment Planning

    Energy Technology Data Exchange (ETDEWEB)

    Ren, S [Stanford University, Stanford, CA (United States); Tianjin University, Tianjin (China); Hara, W; Le, Q; Wang, L; Xing, L; Li, R [Stanford University, Stanford, CA (United States)

    2016-06-15

    Purpose: MRI has a number of advantages over CT as a primary modality for radiation treatment planning (RTP). However, one key bottleneck problem still remains, which is the lack of electron density information in MRI. In the work, a reliable method to map electron density is developed by leveraging the differential contrast of multi-parametric MRI. Methods: We propose a probabilistic Bayesian approach for electron density mapping based on T1 and T2-weighted MRI, using multiple patients as atlases. For each voxel, we compute two conditional probabilities: (1) electron density given its image intensity on T1 and T2-weighted MR images, and (2) electron density given its geometric location in a reference anatomy. The two sources of information (image intensity and spatial location) are combined into a unifying posterior probability density function using the Bayesian formalism. The mean value of the posterior probability density function provides the estimated electron density. Results: We evaluated the method on 10 head and neck patients and performed leave-one-out cross validation (9 patients as atlases and remaining 1 as test). The proposed method significantly reduced the errors in electron density estimation, with a mean absolute HU error of 138, compared with 193 for the T1-weighted intensity approach and 261 without density correction. For bone detection (HU>200), the proposed method had an accuracy of 84% and a sensitivity of 73% at specificity of 90% (AUC = 87%). In comparison, the AUC for bone detection is 73% and 50% using the intensity approach and without density correction, respectively. Conclusion: The proposed unifying method provides accurate electron density estimation and bone detection based on multi-parametric MRI of the head with highly heterogeneous anatomy. This could allow for accurate dose calculation and reference image generation for patient setup in MRI-based radiation treatment planning.

  1. SU-G-JeP2-02: A Unifying Multi-Atlas Approach to Electron Density Mapping Using Multi-Parametric MRI for Radiation Treatment Planning

    International Nuclear Information System (INIS)

    Ren, S; Hara, W; Le, Q; Wang, L; Xing, L; Li, R

    2016-01-01

    Purpose: MRI has a number of advantages over CT as a primary modality for radiation treatment planning (RTP). However, one key bottleneck problem still remains, which is the lack of electron density information in MRI. In the work, a reliable method to map electron density is developed by leveraging the differential contrast of multi-parametric MRI. Methods: We propose a probabilistic Bayesian approach for electron density mapping based on T1 and T2-weighted MRI, using multiple patients as atlases. For each voxel, we compute two conditional probabilities: (1) electron density given its image intensity on T1 and T2-weighted MR images, and (2) electron density given its geometric location in a reference anatomy. The two sources of information (image intensity and spatial location) are combined into a unifying posterior probability density function using the Bayesian formalism. The mean value of the posterior probability density function provides the estimated electron density. Results: We evaluated the method on 10 head and neck patients and performed leave-one-out cross validation (9 patients as atlases and remaining 1 as test). The proposed method significantly reduced the errors in electron density estimation, with a mean absolute HU error of 138, compared with 193 for the T1-weighted intensity approach and 261 without density correction. For bone detection (HU>200), the proposed method had an accuracy of 84% and a sensitivity of 73% at specificity of 90% (AUC = 87%). In comparison, the AUC for bone detection is 73% and 50% using the intensity approach and without density correction, respectively. Conclusion: The proposed unifying method provides accurate electron density estimation and bone detection based on multi-parametric MRI of the head with highly heterogeneous anatomy. This could allow for accurate dose calculation and reference image generation for patient setup in MRI-based radiation treatment planning.

  2. Electron density and temperature determination in a Tokamak plasma using light scattering

    International Nuclear Information System (INIS)

    Perez-Navarro Gomerz, A.; Zurro Hernandez, B.

    1976-01-01

    A theoretical foundation review for light scattering by plasmas is presented. Furthermore, we have included a review of the experimental methods for electron density and temperature measurements, with spatial and time resolution, in a Tokamak plasma using spectral analysis of the scattered radiation. (Author) 13 refs

  3. 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.

  4. Modelling of dynamic equivalents in electric power grids

    International Nuclear Information System (INIS)

    Craciun, Diana Iuliana

    2010-01-01

    In a first part, this research thesis proposes a description of the context and new constraints of electric grids: architecture, decentralized production with the impact of distributed energy resource systems, dynamic simulation, and interest of equivalent models. Then, the author discusses the modelling of the different components of electric grids: synchronous and asynchronous machines, distributed energy resource with power electronic interface, loading models. She addresses the techniques of reduction of electric grid models: conventional reduction methods, dynamic equivalence methods using non linear approaches or evolutionary algorithm-based methods of assessment of parameters. This last approach is then developed and implemented, and a new method of computation of dynamic equivalents is described

  5. Structural, electronic, and thermodynamic properties of curium dioxide: Density functional theory calculations

    Science.gov (United States)

    Hou, Ling; Li, Wei-Dong; Wang, Fangwei; Eriksson, Olle; Wang, Bao-Tian

    2017-12-01

    We present a systematic investigation of the structural, magnetic, electronic, mechanical, and thermodynamic properties of CmO2 with the local density approximation (LDA)+U and the generalized gradient approximation (GGA)+U approaches. The strong Coulomb repulsion and the spin-orbit coupling (SOC) effects on the lattice structures, electronic density of states, and band gaps are carefully studied, and compared with other A O2 (A =U , Np, Pu, and Am). The ferromagnetic configuration with half-metallic character is predicted to be energetically stable while a charge-transfer semiconductor is predicted for the antiferromagnetic configuration. The elastic constants and phonon spectra show that the fluorite structure is mechanically and dynamically stable. Based on the first-principles phonon density of states, the lattice vibrational energy is calculated using the quasiharmonic approximation. Then, the Gibbs free energy, thermal expansion coefficient, specific heat, and entropy are obtained and compared with experimental data. The mode Grüneisen parameters are presented to analyze the anharmonic properties. The Slack relation is applied to obtain the lattice thermal conductivity in temperature range of 300-1600 K. The phonon group velocities are also calculated to investigate the heat transfer. For all these properties, if available, we compare the results of CmO2 with other A O2 .

  6. Electron density in surface barrier discharge emerging at argon/water interface: quantification for streamers and leaders

    Science.gov (United States)

    Cvetanović, Nikola; Galmiz, Oleksandr; Synek, Petr; Zemánek, Miroslav; Brablec, Antonín; Hoder, Tomáš

    2018-02-01

    Optical emission spectroscopy, fast intensified CCD imaging and electrical measurements were applied to investigate the basic plasma parameters of surface barrier discharge emerging from a conductive water electrode. The discharge was generated at the triple-line interface of atmospheric pressure argon gas and conductive water solution at the fused silica dielectrics using a sinusoidal high-voltage waveform. The spectroscopic methods of atomic line broadening and molecular spectroscopy were used to determine the electron densities and the gas temperature in the active plasma. These parameters were obtained for both applied voltage polarities and resolved spatially. Two different spectral signatures were identified in the spatially resolved spectra resulting in electron densities differing by two orders of magnitude. It is shown that two discharge mechanisms take a place: the streamer and the leader one, with electron densities of 1014 and 1016 cm-3, respectively. This spectroscopic evidence is supported by the combined diagnostics of electrical current measurements and phase-resolved intensified CCD camera imaging.

  7. Variations of plasmaspheric field-aligned electron and ion densities (90-4000 km) during quiet to moderately active (Kp < 4) geomagnetic conditions

    Science.gov (United States)

    Sonwalkar, V. S.; Reddy, A.

    2017-12-01

    Variation in field-aligned electron and ion densities as a function of geomagnetic activity are important parameters in the physics of the thermosphere-ionosphere-magnetosphere coupling. Using whistler mode sounding from IMAGE, we report variations in field-aligned electron density and O+/H+ transition height (HT) during two periods (16-23 Aug 2005; 24 Sep-06 Oct 2005) when geomagnetic conditions were quiet (maximum Kp in the past 24 hours, Kpmax,24 ≤ 2) to moderately active (2 quiet time, during moderate geomagnetic activity: (1) O+/H+ transition height was roughly same; (2) electron density variations below HT showed no trend; (3) electron density above HT increased ( 10-40 %). The measured electron density is in agreement with in situ measurements from CHAMP (350 km) and DMSP (850 km) and past space borne (e. g., ISIS) measurements but the F2 peak density is a factor of 2 lower relative to that measured by ground ionosondes and that predicted by IRI-2012 empirical model. The measured transition height is consistent with OGO 4, Explorer 31, and C/NOFS measurements but is lower than that from IRI-2012. The observed variations in electron density at F2 peak are consistent with past work and are attributed to solar, geomagnetic, and meteorological causes [e. g. Risibeth and Mendillo, 2001; Forbes et al., 2000]. To the best of our knowledge, variations in field-aligned electron density above transition height at mid-latitudes during quiet to moderately active periods have not been reported in the past. Further investigation using physics based models (e. g., SAMI3) is required to explain the observed variations.

  8. D-region electron density and effective recombination coefficients during twilight – experimental data and modelling during solar proton events

    Directory of Open Access Journals (Sweden)

    A. Osepian

    2009-10-01

    Full Text Available Accurate measurements of electron density in the lower D-region (below 70 km altitude are rarely made. This applies both with regard to measurements by ground-based facilities and by sounding rockets, and during both quiet conditions and conditions of energetic electron precipitation. Deep penetration into the atmosphere of high-energy solar proton fluxes (during solar proton events, SPE produces extra ionisation in the whole D-region, including the lower altitudes, which gives favourable conditions for accurate measurements using ground-based facilities. In this study we show that electron densities measured with two ground-based facilities at almost the same latitude but slightly different longitudes, provide a valuable tool for validation of model computations. The two techniques used are incoherent scatter of radio waves (by the EISCAT 224 MHz radar in Tromsø, Norway, 69.6° N, 19.3° E, and partial reflection of radio-waves (by the 2.8 MHz radar near Murmansk, Russia, 69.0° N, 35.7° E. Both radars give accurate electron density values during SPE, from heights 57–60 km and upward with the EISCAT radar and between 55–70 km with the partial reflection technique. Near noon, there is little difference in the solar zenith angle between the two locations and both methods give approximately the same values of electron density at the overlapping heights. During twilight, when the difference in solar zenith angles increases, electron density values diverge. When both radars are in night conditions (solar zenith angle >99° electron densities at the overlapping altitudes again become equal. We use the joint measurements to validate model computations of the ionospheric parameters f+, λ, αeff and their variations during solar proton events. These parameters are important characteristics of the lower ionosphere structure which cannot be determined by other methods.

  9. Joint density of states of wide-band-gap materials by electron energy loss spectroscopy

    International Nuclear Information System (INIS)

    Fan, X.D.; Peng, J.L.; Bursill, L.A.

    1998-01-01

    Kramers-Kronig analysis for parallel electron energy loss spectroscopy (PEELS) data is developed as a software package. When used with a JEOL 4000EX high-resolution transmission electron microscope (HRTEM) operating at 100 keV this allows us to obtain the dielectric function of relatively wide band gap materials with an energy resolution of approx 1.4 eV. The imaginary part of the dielectric function allows the magnitude of the band gap to be determined as well as the joint-density-of-states function. Routines for obtaining three variations of the joint-density of states function, which may be used to predict the optical and dielectric response for angle-resolved or angle-integration scattering geometries are also described. Applications are presented for diamond, aluminum nitride (AlN), quartz (SiO 2 ) and sapphire (Al 2 O 3 ). The results are compared with values of the band gap and density of states results for these materials obtained with other techniques. (authors)

  10. 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.

  11. Solar wind electron densities from Viking dual-frequency radio measurements

    International Nuclear Information System (INIS)

    Muhleman, D.O.; Anderson, J.D.

    1981-01-01

    Simultaneous phase coherent, two-frequency measurements of the time delay between the Earth station and the Viking spacecraft have been analyzed in terms of the electron density profiles from 4 solar radii (R/sub sun/) to 200 R/sub sun/. The measurements were made during a period of solar activity minimum (1976--1977) and show a strong solar latitude effect. The data were analyzed with both a model independent, direct numerical inversion technique and with model fitting, yielding essentially the same results. It is shown that the solar wind density can be represented by two power laws near the solar equator proportional to r/sup -2.7/ and r/sup -2.04/. However, the more rapidly falling term quickly disappears at moderate latitudes (approx.20 0 ), leaving only the inverse-square behavior

  12. Optical excitation and electron relaxation dynamics at semiconductor surfaces: a combined approach of density functional and density matrix theory applied to the silicon (001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Buecking, N

    2007-11-05

    In this work a new theoretical formalism is introduced in order to simulate the phononinduced relaxation of a non-equilibrium distribution to equilibrium at a semiconductor surface numerically. The non-equilibrium distribution is effected by an optical excitation. The approach in this thesis is to link two conventional, but approved methods to a new, more global description: while semiconductor surfaces can be investigated accurately by density-functional theory, the dynamical processes in semiconductor heterostructures are successfully described by density matrix theory. In this work, the parameters for density-matrix theory are determined from the results of density-functional calculations. This work is organized in two parts. In Part I, the general fundamentals of the theory are elaborated, covering the fundamentals of canonical quantizations as well as the theory of density-functional and density-matrix theory in 2{sup nd} order Born approximation. While the formalism of density functional theory for structure investigation has been established for a long time and many different codes exist, the requirements for density matrix formalism concerning the geometry and the number of implemented bands exceed the usual possibilities of the existing code in this field. A special attention is therefore attributed to the development of extensions to existing formulations of this theory, where geometrical and fundamental symmetries of the structure and the equations are used. In Part II, the newly developed formalism is applied to a silicon (001)surface in a 2 x 1 reconstruction. As first step, density-functional calculations using the LDA functional are completed, from which the Kohn-Sham-wave functions and eigenvalues are used to calculate interaction matrix elements for the electron-phonon-coupling an the optical excitation. These matrix elements are determined for the optical transitions from valence to conduction bands and for electron-phonon processes inside the

  13. Effect of age-dependent bone electron density on the calculated dose distribution from kilovoltage and megavoltage photon and electron radiotherapy in paediatric MRI-only treatment planning.

    Science.gov (United States)

    Zeinali-Rafsanjani, B; Faghihi, R; Mosleh-Shirazi, M A; Saeedi-Moghadam, M; Jalli, R; Sina, S

    2018-01-01

    MRI-only treatment planning (TP) can be advantageous in paediatric radiotherapy. However, electron density extraction is necessary for dose calculation. Normally, after bone segmentation, a bulk density is assigned. However, the variation of bone bulk density in patients makes the creation of pseudo CTs challenging. This study aims to assess the effects of bone density variations in children on radiation attenuation and dose calculation for MRI-only TP. Bone contents of <15-year-old children were calculated, and substituted in the Oak Ridge National Laboratory paediatric phantoms. The percentage depth dose and beam profile of 150 kVp and 6 MV photon and 6 MeV electron beams were then calculated using Xcom, MCNPX (Monte Carlo N-particle version X) and ORLN phantoms. Using 150 kVp X-rays, the difference in attenuation coefficient was almost 5% between an 11-year-old child and a newborn, and ~8% between an adult and a newborn. With megavoltage radiation, the differences were smaller but still important. For an 18 MV photon beam, the difference of radiation attenuation between an 11-year-old child and a newborn was 4% and ~7.4% between an adult and a newborn. For 6 MeV electrons, dose differences were observed up to the 2 cm depth. The percentage depth dose difference between 1 and 10-year-olds was 18.5%, and between 10 and 15-year-olds was 24%. The results suggest that for MRI-only TP of photon- or electron-beam radiotherapy, the bone densities of each age group should be defined separately for accurate dose calculation. Advances in knowledge: This study highlights the need for more age-specific determination of bone electron density for accurate dose calculations in paediatric MRI-only radiotherapy TP.

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

    Science.gov (United States)

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

    2005-03-01

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

  15. Method of measuring the current density distribution and emittance of pulsed electron beams

    International Nuclear Information System (INIS)

    Schilling, H.B.

    1979-07-01

    This method of current density measurement employs an array of many Faraday cups, each cup being terminated by an integrating capacitor. The voltages of the capacitors are subsequently displayed on a scope, thus giving the complete current density distribution with one shot. In the case of emittance measurements, a moveable small-diameter aperture is inserted at some distance in front of the cup array. Typical results with a two-cathode, two-energy electron source are presented. (orig.)

  16. Structural, electronic, and vibrational properties of high-density amorphous silicon: a first-principles molecular-dynamics study.

    Science.gov (United States)

    Morishita, Tetsuya

    2009-05-21

    We report a first-principles study of the structural, electronic, and dynamical properties of high-density amorphous (HDA) silicon, which was found to be formed by pressurizing low-density amorphous (LDA) silicon (a normal amorphous Si) [T. Morishita, Phys. Rev. Lett. 93, 055503 (2004); P. F. McMillan, M. Wilson, D. Daisenberger, and D. Machon, Nature Mater. 4, 680 (2005)]. Striking structural differences between HDA and LDA are revealed. The LDA structure holds a tetrahedral network, while the HDA structure contains a highly distorted tetrahedral network. The fifth neighboring atom in HDA tends to be located at an interstitial position of a distorted tetrahedron composed of the first four neighboring atoms. Consequently, the coordination number of HDA is calculated to be approximately 5 unlike that of LDA. The electronic density of state (EDOS) shows that HDA is metallic, which is consistent with a recent experimental measurement of the electronic resistance of HDA Si. We find from local EDOS that highly distorted tetrahedral configurations enhance the metallic nature of HDA. The vibrational density of state (VDOS) also reflects the structural differences between HDA and LDA. Some of the characteristic vibrational modes of LDA are dematerialized in HDA, indicating the degradation of covalent bonds. The overall profile of the VDOS for HDA is found to be an intermediate between that for LDA and liquid Si under pressure (high-density liquid Si).

  17. Electron density analysis of 1-butyl-3-methylimidazolium chloride ionic liquid.

    Science.gov (United States)

    del Olmo, Lourdes; Morera-Boado, Cercis; López, Rafael; García de la Vega, José M

    2014-06-01

    An analysis of the electron density of different conformers of the 1-butyl-3-methylimidazolium chloride (bmimCl) ionic liquid by using DFT through the BVP86 density functional has been obtained within the framework of Bader's atom in molecules (AIM), localized orbital locator (LOL), natural bond orbital (NBO), and deformed atoms in molecules (DAM). We also present an analysis of the reduced density gradients that deliver the non-covalent interaction regions and allow to understand the nature of intermolecular interactions. The most polar conformer can be characterized as ionic by AIM, LOL, and DAM methods while the most stable and the least polar shows shared-type interactions. The NBO method allows to comprehend what causes the stabilization of the most stable conformer based on analysis of the second-order perturbative energy and the charge transferred among the natural orbitals involved in the interaction.

  18. The influence of the edge density fluctuations on electron cyclotron wave beam propagation in tokamaks

    DEFF Research Database (Denmark)

    Bertelli, N.; Balakin, A.A.; Westerhof, E.

    2010-01-01

    are estimated in a vacuum beam propagation between the edge density layer and the EC resonance absorption layer. Consequences on the EC beam propagation are investigated by using a simplified model in which the density fluctuations are described by a single harmonic oscillation. In addition, quasi......A numerical analysis of the electron cyclotron (EC) wave beam propagation in the presence of edge density fluctuations by means of a quasi-optical code [Balakin A. A. et al, Nucl. Fusion 48 (2008) 065003] is presented. The effects of the density fluctuations on the wave beam propagation...

  19. Remote sensing of electron density and ion composition using nonducted whistler observations on OGO 1 and Van Allen Probes

    Science.gov (United States)

    Sonwalkar, V. S.; Butler, J.; Reddy, A.

    2017-12-01

    We present a new method to remotely measure magnetospheric electron density and ion composition using lightning generated nonducted whistlers observed on a satellite. Electron and ion densities play important roles in magnetospheric processes such as wave-particle interactions in the equatorial region and ion-neutral dynamics in the ionosphere, and are important for calculating space weather effects such as particle precipitation, GPS scintillations, and satellite drag. The nonducted whistler resulting from a single lightning appears on a spectrogram as a series of magnetospherically reflected traces with characteristic dispersion (time delay versus frequency) and upper and lower cut off frequencies. Ray tracing simulations show that these observed characteristics depend on the magnetospheric electron density and ion composition. The cut off frequencies depend on both electron density and ion composition. The dispersion depends strongly on electron density, but weakly on ion composition. Using an iterative process to fit the measured dispersion and cutoff frequencies to those obtained from ray tracing simulations, it is possible to construct the electron and ion density profiles of the magnetosphere. We demonstrate our method by applying it to nonducted whistlers observed on OGO 1 and Van Allen probe satellites. In one instance (08 Nov 1965), whistler traces observed on OGO 1 (L = 2.4, λm = -6°) displayed a few seconds of dispersion and cutoff frequencies in the 1-10 kHz range. Ray tracing analysis showed that a diffusive equilibrium density model with the following parameters can reproduce the observed characteristics of the whistler traces: 1900 el/cc at L=2.4 and the equator, 358,000 el/cc at F2 peak (hmF2 = 220 km), the relative ion concentrations αH+ = 0.2, αHe+ = 0.2, and αO+ = 0.6 at 1000 km, and temperature 1600 K. The method developed here can be applied to whistlers observed on the past, current, and future magnetospheric satellite missions carrying

  20. A method for conversion of Hounsfield number to electron density and prediction of macroscopic pair production cross-sections

    International Nuclear Information System (INIS)

    Knoeoes, T.; Nilsson, M.; Ahlgren, L.

    1986-01-01

    A method for the determination of electron density using a narrow beam attenuation geometry is described. The method does not require that the elemental composition of the phantom materials is known. The Hounsfield numbers for the phantom materials used were determined using five different CT scanners. A relationship between Hounsfield number and electron density can thus be established, which is of considerable value in radiation therapy treatment planning procedures. Measurements of the ratio coherent/incoherent scattering of low energy photons in a certain geometry has proven valuable for determination of atomic number, which in its turn can be used for estimation of macroscopic pair production coefficients for high energy photons. The combination of knowledge of electron density with methods for determination of processes, dependent on atomic number, can form a base for adequate composition of phantom materials for purposes of testing dose calculation algorithms for photons and electrons. (orig.)

  1. Response of the ionospheric electron density to different types of seismic events

    Directory of Open Access Journals (Sweden)

    Y. He

    2011-08-01

    Full Text Available The electron density data recorded by the Langmuir Probe Instrument (ISL, Instrument Sonde de Langmuir onboard the DEMETER satellite have been collected for nearly 4 yr (during 2006–2009 to perform a statistical analysis. During this time, more than 7000 earthquakes with a magnitude larger than or equal to 5.0 occurred all over the world. For the statistical studies, all these events have been divided into various categories on the basis of the seismic information, including Southern or Northern Hemisphere earthquakes, inland or sea earthquakes, earthquakes at different magnitude levels, earthquakes at different depth levels, isolated events and all events. To distinguish the pre-earthquake anomalies from the possible ionospheric anomalies related to the geomagnetic activity, the data were filtered with the Kp index. The statistical results obviously show that the electron density increases close to the epicentres both in the Northern and the Southern Hemisphere, but the position of the anomaly is slightly shifted to the north in the Northern Hemisphere and to the south in the Southern Hemisphere. The electron density related to both inland and sea earthquakes presents an anomaly approximately close to the epicentres, but the anomaly for sea earthquakes is more significant than for inland earthquakes. The intensity of the anomalies is enhanced when the magnitude increases and is reduced when the depth increases. A similar anomaly can also be seen in the statistical results concerning the isolated earthquakes. All these statistical results can help to better understand the preparation process of the earthquakes and their influence up to the ionospheric levels.

  2. Mechanism of electron density reduction in the region of stable subauroral red arcs

    International Nuclear Information System (INIS)

    Pavlov, A.V.

    1993-01-01

    For geomagnetic storm on 18.12.71 are fulfilled calculations of electron density N e and temperature Te and intensity of the atmosphere luminescence at 630 nm in the region of the subauroral red are and outside its

  3. A new software routine that automates the fitting of protein X-ray crystallographic electron-density maps.

    Science.gov (United States)

    Levitt, D G

    2001-07-01

    The classical approach to building the amino-acid residues into the initial electron-density map requires days to weeks of a skilled investigator's time. Automating this procedure should not only save time, but has the potential to provide a more accurate starting model for input to refinement programs. The new software routine MAID builds the protein structure into the electron-density map in a series of sequential steps. The first step is the fitting of the secondary alpha-helix and beta-sheet structures. These 'fits' are then used to determine the local amino-acid sequence assignment. These assigned fits are then extended through the loop regions and fused with the neighboring sheet or helix. The program was tested on the unaveraged 2.5 A selenomethionine multiple-wavelength anomalous dispersion (SMAD) electron-density map that was originally used to solve the structure of the 291-residue protein human heart short-chain L-3-hydroxyacyl-CoA dehydrogenase (SHAD). Inputting just the map density and the amino-acid sequence, MAID fitted 80% of the residues with an r.m.s.d. error of 0.43 A for the main-chain atoms and 1.0 A for all atoms without any user intervention. When tested on a higher quality 1.9 A SMAD map, MAID correctly fitted 100% (418) of the residues. A major advantage of the MAID fitting procedure is that it maintains ideal bond lengths and angles and constrains phi/psi angles to the appropriate Ramachandran regions. Recycling the output of this new routine through a partial structure-refinement program may have the potential to completely automate the fitting of electron-density maps.

  4. Measurements of the personal dose equivalent

    International Nuclear Information System (INIS)

    Scarlat, F.; Scarisoreanu, A.; Badita, E.; Oane, M.; Mitru, E.

    2008-01-01

    Full text: The paper presents the results of measurements related to the personal dose equivalent in the rooms adjacent to NILPRP 7 MeV linear accelerator, by means of the secondary standard chamber T34035 Hp(10). The chamber was calibrated by PTB at S- 137 Cs (E av = 661.6 keV, T 1/2 11050 days) and has N H = 3.17x10 6 Sv/C calibration factor for the personal dose equivalent, Hp(10), at a depth of 10 mm in climatic reference conditions. The measurements were made for the two operation mode of the 7 MeV linac: electrons and bremsstrahlung

  5. One-electron densities of freely rotating Wigner molecules

    Science.gov (United States)

    Cioslowski, Jerzy

    2017-12-01

    A formalism enabling computation of the one-particle density of a freely rotating assembly of identical particles that vibrate about their equilibrium positions with amplitudes much smaller than their average distances is presented. It produces densities as finite sums of products of angular and radial functions, the length of the expansion being determined by the interplay between the point-group and permutational symmetries of the system in question. Obtaining from a convolution of the rotational and bosonic components of the parent wavefunction, the angular functions are state-dependent. On the other hand, the radial functions are Gaussians with maxima located at the equilibrium lengths of the position vectors of individual particles and exponents depending on the scalar products of these vectors and the eigenvectors of the corresponding Hessian as well as the respective eigenvalues. Although the new formalism is particularly useful for studies of the Wigner molecules formed by electrons subject to weak confining potentials, it is readily adaptable to species (such as ´balliums’ and Coulomb crystals) composed of identical particles with arbitrary spin statistics and permutational symmetry. Several examples of applications of the present approach to the harmonium atoms within the strong-correlation regime are given.

  6. Ultra-Stretchable Interconnects for High-Density Stretchable Electronics

    Directory of Open Access Journals (Sweden)

    Salman Shafqat

    2017-09-01

    Full Text Available 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 proven standardized (complementary metal-oxide semiconductor (CMOS-type process recipes using bulk integrated circuit (IC microfabrication tools and fine-pitch photolithography patterning. Here, we address this combined challenge of microfabrication with extreme stretchability for high-density SE devices by introducing CMOS-enabled, free-standing, miniaturized interconnect structures that fully exploit their 3D kinematic freedom through an interplay of buckling, torsion, and bending to maximize stretchability. Integration with standard CMOS-type batch processing is assured by utilizing the Flex-to-Rigid (F2R post-processing technology to make the back-end-of-line interconnect structures free-standing, thus enabling the routine microfabrication of highly-stretchable interconnects. The performance and reproducibility of these free-standing structures is promising: an elastic stretch beyond 2000% and ultimate (plastic stretch beyond 3000%, with <0.3% resistance change, and >10 million cycles at 1000% stretch with <1% resistance change. This generic technology provides a new route to exciting highly-stretchable miniature devices.

  7. Electron temperature and density profiles measurement in the TJ-1 tokamak by Thomson scattering

    International Nuclear Information System (INIS)

    Pardo, C.; Zurro, B.

    1986-01-01

    Electron temperature and density profiles of ohmically heated hydrogen plasmas in the TJ-1 tokamak have been measured by Thomson scattering. The temperature profile peaks sharply in the central region while the density profile is very flat. Temperature values between 100 and 390 eV have been measured for densities in the range of 5.10 12 to 2.6.10 13 cm -3 . Parameters characterizing TJ-1 plasma, such as confinement times Z eff , have been deduced from experimental data. Energy confinement times are compared with experimental scaling laws. (author)

  8. 2D electron density profile measurement in tokamak by laser-accelerated ion-beam probe.

    Science.gov (United States)

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

    2014-11-01

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

  9. Measurements of electron density irregularities in the ionosphere of Jupiter by Pioneer 10

    International Nuclear Information System (INIS)

    Woo, R.; Yang, F.

    1976-01-01

    In this paper we demonstrate that when the frequency spectrum of the log amplitude fluctuations is used, the radio occultation experiment is a powerful tool for detecting, identifying, and studying ionospheric irregularities. Analysis of the Pioneer 10 radio occultation measurements reveals that the Jovian ionosphere possesses electron density irregularities which are very similar to those found in the earth's ionosphere. This is the first time such irregularities have been found in a planetary ionosphere other than that of earth. The Pioneer 10 results indicate that the spatial wave number spectrum of the electron density irregularities is close to the Kolmogorov spectrum and that the outer scale size is greater than the Fresnel size (6.15 km). This type of spectrum suggests that the irregularities are probably produced by the turbulent dissipation of irregularities larger than the outer scale size

  10. Mechanism of equivalent electric dipole oscillation for high-order harmonic generation from grating-structured solid-surface by femtosecond laser pulse

    Science.gov (United States)

    Wang, Yang; Song, Hai-Ying; Liu, H. Y.; Liu, Shi-Bing

    2017-07-01

    We theoretically study high-order harmonic generation (HHG) from relativistically driven overdense plasma targets with rectangularly grating-structured surfaces by femtosecond laser pulses. Our particle-in-cell (PIC) simulations show that, under the conditions of low laser intensity and plasma density, the harmonics emit principally along small angles deviating from the target surface. Further investigation of the surface electron dynamics reveals that the electron bunches are formed by the interaction between the laser field and the target surface, giving rise to the oscillation of equivalent electric-dipole (OEED), which enhances specific harmonic orders. Our work helps understand the mechanism of harmonic emissions from grating targets and the distinction from the planar harmonic scheme.

  11. Longitudinal and Seasonal Variations of the Electron Temperature and Density in the Low-Latitude Topside Ionosphere Observed by KOMPSAT-1

    Directory of Open Access Journals (Sweden)

    Heejun Kim

    2002-06-01

    Full Text Available The electron density and temperature in the topside ionosphere are observed by the Ionosphere Measurement Sensor (IMS onboard the KOMPSAT-1, which has the sun-synchronous orbit of the altitude of 685 km and the orbital inclination of 98deg with a descending node at 22:50LT. Observations have been analyzed to determine the seasonal variations of the electron density and temperature in the low-latitude region. Only the night-time (22:50LT behavior on magnetically quiet days (Kp < 4 has been examined. Observations show a strong longitudinal and seasonal variation. Generally, in the dip equator the density increases and the temperature decreases. In equinox the latitudinal distributions of the electron density and temperature are quite symmetric about the dip equator. However, the local maximum of the density and the local minimum of the temperature shift toward the Northern hemisphere in summer solstice but the Southern hemisphere in winter solstice. Such variations are due to the influences of field-aligned plasma transport induced by F region neutral wind. Compared with the IRI95 model, the observed electron density and temperature show significant differences from those predicted by the IRI95 model.

  12. Cardinal Equivalence of Small Number in Young Children.

    Science.gov (United States)

    Kingma, J.; Roelinga, U.

    1982-01-01

    Children completed three types of equivalent cardination tasks which assessed the influence of different stimulus configurations (linear, linear-nonlinear, and nonlinear), and density of object spacing. Prior results reported by Siegel, Brainerd, and Gelman and Gallistel were not replicated. Implications for understanding cardination concept…

  13. Plasma density measurements on COMPASS-C tokamak from electron cyclotron emission cutoffs

    International Nuclear Information System (INIS)

    Chenna Reddy, D.; Edlington, T.

    1996-01-01

    Electron cyclotron emission (ECE) is a standard diagnostic in present day tokamak devices for temperature measurement. When the plasma density is high enough the emission at some frequencies is cut off. Of these cutoff frequencies, the first frequency to cut off depends on the shape of the density profile. If the density profile can be described by a few parameters, in some circumstances, this first cutoff frequency can be used to obtain two of these parameters. If more than two parameters are needed to describe the density profile, then additional independent measurements are required to find all the parameters. We describe a technique by which it is possible to obtain an analytical relation between the radius at which the first cutoff occurs and the profile parameters. Assuming that the shape of the profile does not change as the average density rises after the first cutoff, one can use the cutoffs at other frequencies to obtain the average density at the time of these cutoffs. The plasma densities obtained with this technique using the data from a 14 channel ECE diagnostic on COMPASS-C tokamak are in good agreement with those measured by a standard 2 mm interferometer. The density measurement using the ECE cutoffs is an independent measurement and requires only a frequency calibration of the ECE diagnostic. copyright 1996 American Institute of Physics

  14. Determination of electron density and temperature in a capacitively coupled RF discharge in neon by OES complemented with a CR model

    Energy Technology Data Exchange (ETDEWEB)

    Navratil, Z; Dvorak, P; Trunec, D [Department of Physical Electronics, Faculty of Science, Masaryk University, Kotlarska 2, 611 37 Brno (Czech Republic); Brzobohaty, O, E-mail: zdenek@physics.muni.c [Institute of Scientific Instruments of the ASCR, v.v.i., Academy of Sciences of the Czech Republic, Kralovopolska 147, 612 64 Brno (Czech Republic)

    2010-12-22

    A method of determination of electron temperature and electron density in plasmas based on optical emission spectroscopy complemented with collisional-radiative modelling (OES/CRM) was studied in this work. A radiofrequency (13.56 MHz) capacitively coupled discharge in neon at 10 Pa was investigated by intensity calibrated optical emission spectroscopy. The absolute intensities of neon transitions between 3p and 3s states were fitted with a collisional-radiative (CR) model in order to determine the electron temperature and electron density. Measuring techniques such as imaging with an ICCD camera were adopted for supplementary diagnostics. The obtained results were compared with the results of compensated Langmuir probe measurement and one-dimensional particle-in-cell/Monte Carlo (PIC/MC) simulation. The results of OES/CRM and PIC/MC method were in close agreement in the case of electron temperature in the vicinity of a driven electrode. The determined value of electron temperature was about 8 eV. In bulk plasma, the measured spectra were not satisfactorily fitted. In the case of electron density only relative agreement was obtained between OES/CRM and Langmuir probe measurement; the absolute values differed by a factor of 5. The axial dependence of electron density calculated by PIC/MC was distinct from them, reaching the maximum values between the results of the other two methods. The investigation of power dependence of plasma parameters close to the driven electrode showed a decrease in electron temperature and an increase in electron density together with increasing incoming RF power. The calculated spectra fitted very well the measured spectra in this discharge region.

  15. Progress in Electron Beam Mastering of 100 Gbit/inch2 Density Disc

    Science.gov (United States)

    Takeda, Minoru; Furuki, Motohiro; Yamamoto, Masanobu; Shinoda, Masataka; Saito, Kimihiro; Aki, Yuichi; Kawase, Hiroshi; Koizumi, Mitsuru; Miyokawa, Toshiaki; Mutou, Masao; Handa, Nobuo

    2004-07-01

    We developed an electron beam recorder (EBR) capable of recording master discs under atmospheric conditions using a novel differential pumping head. Using the EBR and optimized fabrication process for Si-etched discs with reactive ion etching (RIE), a bottom signal jitter of 9.6% was obtained from a 36 Gbit/inch2 density disc, readout using a near-field optical pickup with an effective numerical aperture (NA) of 1.85 and a wavelength of 405 nm. We also obtained the eye patterns from a 70 Gbit/inch2 density disc readout using an optical pickup with a 2.05 NA and the same wavelength, and showed almost the same modulation ratio as the simulation value. Moreover, the capability of producing pit patterns corresponding to a 104 Gbit/inch2 density is demonstrated.

  16. Electron scattering and reactions from exotic nuclei

    International Nuclear Information System (INIS)

    Karataglidis, S.

    2017-01-01

    The SCRIT and FAIR/ELISe experiments are the first to attempt to measure directly electron scattering form factors from nuclei far from stability. This will give direct information for the (one-body) charge densities of those systems, about which there is little information available. The SCRIT experiment will be taking data for medium-mass exotic nuclei, while the electron-ion collider at ELISe, when constructed, will be able to measure form factors for a wide range of exotic nuclei, as available from the radioactive ion beams produced by the FAIR experiment. Other facilities are now being proposed, which will also consider electron scattering from exotic nuclei at higher energies, to study short-range correlations in exclusive reactions. This review will consider all available information concerning the current status (largely theoretical) of electron scattering from exotic nuclei and, where possible, complement such information with equivalent information concerning the neutron densities of those exotic systems, as obtained from intermediate energy proton scattering. The issue of long- and short-range correlations will be discussed, and whether extending such studies to the exotic sector will elicit new information. (orig.)

  17. Electron scattering and reactions from exotic nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Karataglidis, S. [University of Johannesburg, Department of Physics, Auckland Park (South Africa); University of Melbourne, School of Physics, Victoria (Australia)

    2017-04-15

    The SCRIT and FAIR/ELISe experiments are the first to attempt to measure directly electron scattering form factors from nuclei far from stability. This will give direct information for the (one-body) charge densities of those systems, about which there is little information available. The SCRIT experiment will be taking data for medium-mass exotic nuclei, while the electron-ion collider at ELISe, when constructed, will be able to measure form factors for a wide range of exotic nuclei, as available from the radioactive ion beams produced by the FAIR experiment. Other facilities are now being proposed, which will also consider electron scattering from exotic nuclei at higher energies, to study short-range correlations in exclusive reactions. This review will consider all available information concerning the current status (largely theoretical) of electron scattering from exotic nuclei and, where possible, complement such information with equivalent information concerning the neutron densities of those exotic systems, as obtained from intermediate energy proton scattering. The issue of long- and short-range correlations will be discussed, and whether extending such studies to the exotic sector will elicit new information. (orig.)

  18. Pauli potential from Heilmann-Lieb electron density obtained by summing hydrogenic closed-shell densities over the entire bound-state spectrum

    International Nuclear Information System (INIS)

    Bogar, Ferenc; Bartha, Ferenc; Bartha, Ferenc A.; March, Norman H.

    2011-01-01

    Independently, in the mid-1980s, several groups proposed to bosonize the density-functional theory (DFT) for fermions by writing a Schroedinger equation for the density amplitude ρ(r) 1/2 , with ρ(r) as the ground-state electron density, the central tool of DFT. The resulting differential equation has the DFT one-body potential V(r) modified by an additive term V P (r) where P denotes Pauli. To gain insight into the form of the Pauli potential V P (r), here, we invoke the known Coulombic density, ρ ∞ (r) say, calculated analytically by Heilmann and Lieb (HL), by summation over the entire hydrogenic bound-state spectrum. We show that V P∞ (r) has simple limits for both r tends to infinity and r approaching zero. In particular, at large r, V P∞ (r) precisely cancels the attractive Coulomb potential -Ze 2 /r, leaving V(r)+V P∞ (r) of O(r -2 ) as r tends to infinity. The HL density ρ ∞ (r) is finally used numerically to display V P∞ (r) for all r values.

  19. Injection of auxiliary electrons for increasing the plasma density in highly charged and high intensity ion sources

    Energy Technology Data Exchange (ETDEWEB)

    Odorici, F., E-mail: fabrizio.odorici@bo.infn.it; Malferrari, L.; Montanari, A. [INFN—Bologna, Viale B. Pichat, 6/2, 40127 Bologna (Italy); Rizzoli, R. [INFN—Bologna, Viale B. Pichat, 6/2, 40127 Bologna (Italy); CNR–Istituto per la Microelettronica ed i Microsistemi, Via Gobetti 101, 40129 Bologna (Italy); Mascali, D.; Castro, G.; Celona, L.; Gammino, S.; Neri, L. [INFN–Laboratori Nazionali del Sud, Via S. Sofia 62, 95125 Catania (Italy)

    2016-02-15

    Different electron guns based on cold- or hot-cathode technologies have been developed since 2009 at INFN for operating within ECR plasma chambers as sources of auxiliary electrons, with the aim of boosting the source performances by means of a higher plasma lifetime and density. Their application to microwave discharge ion sources, where plasma is not confined, has required an improvement of the gun design, in order to “screen” the cathode from the plasma particles. Experimental tests carried out on a plasma reactor show a boost of the plasma density, ranging from 10% to 90% when the electron guns are used, as explained by plasma diffusion models.

  20. Injection of auxiliary electrons for increasing the plasma density in highly charged and high intensity ion sources.

    Science.gov (United States)

    Odorici, F; Malferrari, L; Montanari, A; Rizzoli, R; Mascali, D; Castro, G; Celona, L; Gammino, S; Neri, L

    2016-02-01

    Different electron guns based on cold- or hot-cathode technologies have been developed since 2009 at INFN for operating within ECR plasma chambers as sources of auxiliary electrons, with the aim of boosting the source performances by means of a higher plasma lifetime and density. Their application to microwave discharge ion sources, where plasma is not confined, has required an improvement of the gun design, in order to "screen" the cathode from the plasma particles. Experimental tests carried out on a plasma reactor show a boost of the plasma density, ranging from 10% to 90% when the electron guns are used, as explained by plasma diffusion models.

  1. Electron density distribution and bonding in ZnSe and PbSe using ...

    Indian Academy of Sciences (India)

    Unknown

    structural refinement using JANA 2000, and then the re- fined structure factors have been utilized for MEM re- finements to elucidate the ... the appropriate methods in which the concept of entropy is introduced to handle the uncertainty properly. The principle of MEM is to obtain an electron density distri- bution, which is ...

  2. Reineke’s stand density index: a quantitative and non-unitless measure of stand density

    Science.gov (United States)

    Curtis L. VanderSchaaf

    2013-01-01

    When used as a measure of relative density, Reineke’s stand density index (SDI) can be made unitless by relating the current SDI to a standard density but when used as a quantitative measure of stand density SDI is not unitless. Reineke’s SDI relates the current stand density to an equivalent number of trees per unit area in a stand with a quadratic mean diameter (Dq)...

  3. Simultaneous streak and frame interferometry for electron density measurements of laser produced plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Quevedo, H. J., E-mail: hjquevedo@utexas.edu; McCormick, M.; Wisher, M.; Bengtson, Roger D.; Ditmire, T. [Center for High Energy Density Science, Department of Physics, University of Texas at Austin, Austin, Texas 78712 (United States)

    2016-01-15

    A system of two collinear probe beams with different wavelengths and pulse durations was used to capture simultaneously snapshot interferograms and streaked interferograms of laser produced plasmas. The snapshots measured the two dimensional, path-integrated, electron density on a charge-coupled device while the radial temporal evolution of a one dimensional plasma slice was recorded by a streak camera. This dual-probe combination allowed us to select plasmas that were uniform and axisymmetric along the laser direction suitable for retrieving the continuous evolution of the radial electron density of homogeneous plasmas. Demonstration of this double probe system was done by measuring rapidly evolving plasmas on time scales less than 1 ns produced by the interaction of femtosecond, high intensity, laser pulses with argon gas clusters. Experiments aimed at studying homogeneous plasmas from high intensity laser-gas or laser-cluster interaction could benefit from the use of this probing scheme.

  4. Electronic properties of T graphene-like C-BN sheets: A density functional theory study

    Science.gov (United States)

    Majidi, R.

    2015-11-01

    We have used density functional theory to study the electronic properties of T graphene-like C, C-BN and BN sheets. The planar T graphene with metallic property has been considered. The results show that the presence of BN has a considerable effect on the electronic properties of T graphene. The T graphene-like C-BN and BN sheets show semiconducting properties. The energy band gap is increased by enhancing the number of BN units. The possibility of opening and controlling band gap opens the door for T graphene in switchable electronic devices.

  5. 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

  6. Displacement damage analysis and modified electrical equivalent circuit for electron and photon-irradiated silicon solar cells

    Science.gov (United States)

    Arjhangmehr, Afshin; Feghhi, Seyed Amir Hossein

    2014-10-01

    Solar modules and arrays are the conventional energy resources of space satellites. Outside the earth's atmosphere, solar panels experience abnormal radiation environments and because of incident particles, photovoltaic (PV) parameters degrade. This article tries to analyze the electrical performance of electron and photon-irradiated mono-crystalline silicon (mono-Si) solar cells. PV cells are irradiated by mono-energetic electrons and poly-energetic photons and immediately characterized after the irradiation. The mean degradation of the maximum power (Pmax) of silicon solar cells is presented and correlated using the displacement damage dose (Dd) methodology. This method simplifies evaluation of cell performance in space radiation environments and produces a single characteristic curve for Pmax degradation. Furthermore, complete analysis of the results revealed that the open-circuit voltage (Voc) and the filling factor of mono-Si cells did not significantly change during the irradiation and were independent of the radiation type and fluence. Moreover, a new technique is developed that adapts the irradiation-induced effects in a single-cell equivalent electrical circuit and adjusts its elements. The "modified circuit" is capable of modeling the "radiation damage" in the electrical behavior of mono-Si solar cells and simplifies the designing of the compensation circuits.

  7. Approaching an experimental electron density model of the biologically active trans -epoxysuccinyl amide group-Substituent effects vs. crystal packing

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Ming W.; Stewart, Scott G.; Sobolev, Alexandre N.; Dittrich, Birger; Schirmeister, Tanja; Luger, Peter; Hesse, Malte; Chen, Yu-Sheng; Spackman, Peter R.; Spackman, Mark A.; Grabowsky, Simon (Heinrich-Heine); (Freie); (UC); (Bremen); (JG-UM); (UWA)

    2017-01-24

    The trans-epoxysuccinyl amide group as a biologically active moiety in cysteine protease inhibitors such as loxistatin acid E64c has been used as a benchmark system for theoretical studies of environmental effects on the electron density of small active ingredients in relation to their biological activity. Here, the synthesis and the electronic properties of the smallest possible active site model compound are reported to close the gap between the unknown experimental electron density of trans-epoxysuccinyl amides and the well-known function of related drugs. Intramolecular substituent effects are separated from intermolecular crystal packing effects on the electron density, which allows us to predict the conditions under which an experimental electron density investigation on trans-epoxysuccinyl amides will be possible. In this context, the special importance of the carboxylic acid function in the model compound for both crystal packing and biological activity is revealed through the novel tool of model energy analysis.

  8. Assessment of plasma impedance probe for measuring electron density and collision frequency in a plasma with spatial and temporal gradients

    International Nuclear Information System (INIS)

    Hopkins, Mark A.; King, Lyon B.

    2014-01-01

    Numerical simulations and experimental measurements were combined to determine the ability of a plasma impedance probe (PIP) to measure plasma density and electron collision frequency in a plasma containing spatial gradients as well as time-varying oscillations in the plasma density. A PIP is sensitive to collision frequency through the width of the parallel resonance in the Re[Z]-vs.-frequency characteristic, while also being sensitive to electron density through the zero-crossing of the Im[Z]-vs.-frequency characteristic at parallel resonance. Simulations of the probe characteristic in a linear plasma gradient indicated that the broadening of Re[Z] due to the spatial gradient obscured the broadening due to electron collision frequency, preventing a quantitative measurement of the absolute collision frequency for gradients considered in this study. Simulation results also showed that the PIP is sensitive to relative changes in electron collision frequency in a spatial density gradient, but a second broadening effect due to time-varying oscillations made collision frequency measurements impossible. The time-varying oscillations had the effect of causing multiple zero-crossings in Im[Z] at parallel resonance. Results of experiments and simulations indicated that the lowest-frequency zero-crossing represented the lowest plasma density in the oscillations and the highest-frequency zero-crossing represented the highest plasma density in the oscillations, thus the PIP probe was found to be an effective tool to measure both the average plasma density as well as the maximum and minimum densities due to temporal oscillations

  9. Optimum electron temperature and density for short-wavelength plasma-lasing from nickel-like ions

    International Nuclear Information System (INIS)

    Masoudnia, Leili; Bleiner, Davide

    2014-01-01

    Soft X-ray lasing across a Ni-like plasma gain-medium requires optimum electron temperature and density for attaining to the Ni-like ion stage and for population inversion in the 3d 9 4d 1 (J=0)→3d 9 4p 1 (J=1) laser transition. Various scaling laws, function of operating parameters, were compared with respect to their predictions for optimum temperatures and densities. It is shown that the widely adopted local thermodynamic equilibrium (LTE) model underestimates the optimum plasma-lasing conditions. On the other hand, non-LTE models, especially when complemented with dielectronic recombination, provided accurate prediction of the optimum plasma-lasing conditions. It is further shown that, for targets with Z equal or greater than the rare-earth elements (e.g. Sm), the optimum electron density for plasma-lasing is not accessible for pump-pulses at λ=1ω=1μm. This observation explains a fundamental difficulty in saturating the wavelength of plasma-based X-ray lasers below 6.8 nm, unless using 2ω pumping

  10. Investigation of Electron Density Profile in the ionospheric D and E region by Kagoshima rocket experiment

    Science.gov (United States)

    Ashihara, Y.; Ishisaka, K.; Miyake, T.; Okada, T.; Nagano, I.; Abe, T.; Ono, T.

    2007-12-01

    The radio wave propagation characteristic in the lower ionosphere is important because of its effect on commercial radio communication, navigation, and broadcast services. The electron density is of primary interest in this region because the high ion-neutral collision frequencies result in radio wave absorption. In order to investigate the ionization structure in the ionospheric D and E region by using the propagation characteristics of MF-band and LF-band radio waves, S-310-37 and S-520-23 sounding rocket experiments have been carried out at Uchinoura Space Center (USC). S-310-37 sounding rocket was launched at 11:20 LT on January 16, 2007. The apex of rocket trajectory was about 138 km. Then S-520-23 sounding rocket was launched at 19:20 LT on September 2, 2007. The apex was about 279 km. As a common measurement, these sounding rockets measure the fields intensities and the waveform of radio waves from NHK Kumamoto broadcasting station (873kHz, 500kW) and JJY signals from Haganeyama LF radio station (60kHz, 50kW). The approximate electron density profile can be determined from the comparison between these experimental results and propagation characteristics calculated by the full wave method. We will get the most probable electron density profile in the ionosphere. In presentation, we will show the propagation characteristic of LF/MF radio waves measured by two sounding rocket experiments. Then we will discuss the analysis method and the estimated electron density profile in the ionosphere.

  11. 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)

  12. Nonequilibrium response of an electron-mediated charge density wave ordered material to a large dc electric field

    Science.gov (United States)

    Matveev, O. P.; Shvaika, A. M.; Devereaux, T. P.; Freericks, J. K.

    2016-01-01

    Using the Kadanoff-Baym-Keldysh formalism, we employ nonequilibrium dynamical mean-field theory to exactly solve for the nonlinear response of an electron-mediated charge-density-wave-ordered material. We examine both the dc current and the order parameter of the conduction electrons as the ordered system is driven by the electric field. Although the formalism we develop applies to all models, for concreteness, we examine the charge-density-wave phase of the Falicov-Kimball model, which displays a number of anomalous behaviors including the appearance of subgap density of states as the temperature increases. These subgap states should have a significant impact on transport properties, particularly the nonlinear response of the system to a large dc electric field.

  13. DensToolKit: A comprehensive open-source package for analyzing the electron density and its derivative scalar and vector fields

    Science.gov (United States)

    Solano-Altamirano, J. M.; Hernández-Pérez, Julio M.

    2015-11-01

    DensToolKit is a suite of cross-platform, optionally parallelized, programs for analyzing the molecular electron density (ρ) and several fields derived from it. Scalar and vector fields, such as the gradient of the electron density (∇ρ), electron localization function (ELF) and its gradient, localized orbital locator (LOL), region of slow electrons (RoSE), reduced density gradient, localized electrons detector (LED), information entropy, molecular electrostatic potential, kinetic energy densities K and G, among others, can be evaluated on zero, one, two, and three dimensional grids. The suite includes a program for searching critical points and bond paths of the electron density, under the framework of Quantum Theory of Atoms in Molecules. DensToolKit also evaluates the momentum space electron density on spatial grids, and the reduced density matrix of order one along lines joining two arbitrary atoms of a molecule. The source code is distributed under the GNU-GPLv3 license, and we release the code with the intent of establishing an open-source collaborative project. The style of DensToolKit's code follows some of the guidelines of an object-oriented program. This allows us to supply the user with a simple manner for easily implement new scalar or vector fields, provided they are derived from any of the fields already implemented in the code. In this paper, we present some of the most salient features of the programs contained in the suite, some examples of how to run them, and the mathematical definitions of the implemented fields along with hints of how we optimized their evaluation. We benchmarked our suite against both a freely-available program and a commercial package. Speed-ups of ˜2×, and up to 12× were obtained using a non-parallel compilation of DensToolKit for the evaluation of fields. DensToolKit takes similar times for finding critical points, compared to a commercial package. Finally, we present some perspectives for the future development and

  14. Laboratory Astrophysics Using High Energy Density Photon and Electron Beams

    CERN Document Server

    Bingham, Robert

    2005-01-01

    The development of intense laser and particle beams has opened up new opportunities to study high energy density astrophysical processes in the Laboratory. With even higher laser intensities possible in the near future vacuum polarization processes such as photon - photon scattering with or without large magnetic fields may also be experimentally observed. In this talk I will review the status of laboratory experiments using intense beans to investigate extreme astrophysical phenomena such as supernovae explosions, gamma x-ray bursts, ultra-high energy cosmic accelerators etc. Just as intense photon or electron beams can excite relativistic electron plasma waves or wakefields used in plasma acceleration, intense neutrino beams from type II supernovae can also excite wakefields or plasma waves. Other instabilities driven by intense beams relevant to perhaps x-ray bursts is the Weibel instability. Simulation results of extreme processes will also be presented.

  15. Comparison of the observed results of the electron density profiles with the IRI90

    International Nuclear Information System (INIS)

    Zhang Manlian; Radicella, S.M.; Dai Kailiang

    1996-01-01

    The daily and composite profiles and the thickness parameter of the electron density profiles are compared with the results of IRI90 for the stations of Ramey (15.8 deg. N, 292.9 deg. E), Wuchang (30.6 deg. N, 114.3 deg. E), Chongqing (29.5 deg. N, 106.4 deg. E) and Wrumchi (43.8 deg. N, 87.6 deg. E). It is found that the electron density profiles produced by IRI90, both with the old Standard B0 and the new Gulyaeva-B0 thickness parameter, are too thick below F2-peak compared with the observed results. It is also shown that the IRI90 results show a very poor agreement with the observed results for the intermediate (F1) layer of the ionosphere. (author). 1 ref., 4 figs,

  16. Communication: satisfying fermionic statistics in the modeling of open time-dependent quantum systems with one-electron reduced density matrices.

    Science.gov (United States)

    Head-Marsden, Kade; Mazziotti, David A

    2015-02-07

    For an open, time-dependent quantum system, Lindblad derived the most general modification of the quantum Liouville equation in the Markovian approximation that models environmental effects while preserving the non-negativity of the system's density matrix. While Lindblad's modification is correct for N-electron density matrices, solution of the Liouville equation with a Lindblad operator causes the one-electron reduced density matrix (1-RDM) to violate the Pauli exclusion principle. Consequently, after a short time, the 1-RDM is not representable by an ensemble N-electron density matrix (not ensemble N-representable). In this communication, we derive the necessary and sufficient constraints on the Lindbladian matrix within the Lindblad operator to ensure that the 1-RDM remains N-representable for all time. The theory is illustrated by considering the relaxation of an excitation in several molecules F2, N2, CO, and BeH2 subject to environmental noise.

  17. Simulation of Space Charge Effects in Electron Optical System Based on the Calculations of Current Density

    Czech Academy of Sciences Publication Activity Database

    Zelinka, Jiří; Oral, Martin; Radlička, Tomáš

    2015-01-01

    Roč. 21, S4 (2015), s. 246-251 ISSN 1431-9276 R&D Projects: GA MŠk(CZ) LO1212 Institutional support: RVO:68081731 Keywords : electron optical system * calculations of current density Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 1.730, year: 2015

  18. Determination of tissue equivalent materials of a physical 8-year-old phantom for use in computed tomography

    International Nuclear Information System (INIS)

    Akhlaghi, Parisa; Miri Hakimabad, Hashem; Rafat Motavalli, Laleh

    2015-01-01

    This paper reports on the methodology applied to select suitable tissue equivalent materials of an 8-year phantom for use in computed tomography (CT) examinations. To find the appropriate tissue substitutes, first physical properties (physical density, electronic density, effective atomic number, mass attenuation coefficient and CT number) of different materials were studied. Results showed that, the physical properties of water and polyurethane (as soft tissue), B-100 and polyvinyl chloride (PVC) (as bone) and polyurethane foam (as lung) agree more with those of original tissues. Then in the next step, the absorbed doses in the location of 25 thermoluminescent dosimeters (TLDs) as well as dose distribution in one slice of phantom were calculated for original and these proposed materials by Monte Carlo simulation at different tube voltages. The comparisons suggested that at tube voltages of 80 and 100 kVp using B-100 as bone, water as soft tissue and polyurethane foam as lung is suitable for dosimetric study in pediatric CT examinations. In addition, it was concluded that by considering just the mass attenuation coefficient of different materials, the appropriate tissue equivalent substitutes in each desired X-ray energy range could be found. - Highlights: • A methodology to select tissue equivalent materials for use in CT was proposed. • Physical properties of different materials were studied. • TLDs dose and dose distribution were calculated for original and proposed materials. • B-100 as bone, and water as soft tissue are best substitute materials at 80 kVp. • Mass attenuation coefficient is determinant for selecting best tissue substitutes

  19. Finite grid radius and thickness effects on retarding potential analyzer measured suprathermal electron density and temperature

    International Nuclear Information System (INIS)

    Knudsen, W.C.

    1992-01-01

    The effect of finite grid radius and thickness on the electron current measured by planar retarding potential analyzers (RPAs) is analyzed numerically. Depending on the plasma environment, the current is significantly reduced below that which is calculated using a theoretical equation derived for an idealized RPA having grids with infinite radius and vanishingly small thickness. A correction factor to the idealized theoretical equation is derived for the Pioneer Venus (PV) orbiter RPA (ORPA) for electron gases consisting of one or more components obeying Maxwell statistics. The error in density and temperature of Maxwellian electron distributions previously derived from ORPA data using the theoretical expression for the idealized ORPA is evaluated by comparing the densities and temperatures derived from a sample of PV ORPA data using the theoretical expression with and without the correction factor

  20. Electron density profile measurements from hydrogen line intensity ratio method in Versatile Experimental Spherical Torus

    Energy Technology Data Exchange (ETDEWEB)

    Kim, YooSung; Shi, Yue-Jiang, E-mail: yjshi@snu.ac.kr; Yang, Jeong-hun; Kim, SeongCheol; Kim, Young-Gi; Dang, Jeong-Jeung; Yang, Seongmoo; Jo, Jungmin; Chung, Kyoung-Jae [Department of Nuclear Engineering, Seoul National University, Seoul 151-744 (Korea, Republic of); Oh, Soo-Ghee [Division of Energy Systems Research, Ajou University, Suwon 442-749 (Korea, Republic of); Hwang, Y. S. [Department of Nuclear Engineering, Seoul National University, Seoul 151-744 (Korea, Republic of); Center for Advanced Research in Fusion Reactor Engineering, Seoul National University, Seoul 151-744 (Korea, Republic of)

    2016-11-15

    Electron density profiles of versatile experiment spherical torus plasmas are measured by using a hydrogen line intensity ratio method. A fast-frame visible camera with appropriate bandpass filters is used to detect images of Balmer line intensities. The unique optical system makes it possible to take images of H{sub α} and H{sub β} radiation simultaneously, with only one camera. The frame rate is 1000 fps and the spatial resolution of the system is about 0.5 cm. One-dimensional local emissivity profiles have been obtained from the toroidal line of sight with viewing dumps. An initial result for the electron density profile is presented and is in reasonable agreement with values measured by a triple Langmuir probe.

  1. The neutron dose equivalent around high energy medical electron linear accelerators

    Directory of Open Access Journals (Sweden)

    Poje Marina

    2014-01-01

    Full Text Available The measurement of neutron dose equivalent was made in four dual energy linear accelerator rooms. Two of the rooms were reconstructed after decommissioning of 60Co units, so the main limitation was the space. The measurements were performed by a nuclear track etched detectors LR-115 associated with the converter (radiator that consist of 10B and with the active neutron detector Thermo BIOREM FHT 742. The detectors were set at several locations to evaluate the neutron ambient dose equivalent and/or neutron dose rate to which medical personnel could be exposed. Also, the neutron dose dependence on collimator aperture was analyzed. The obtained neutron dose rates outside the accelerator rooms were several times smaller than the neutron dose rates inside the accelerator rooms. Nevertheless, the measured neutron dose equivalent was not negligible from the aspect of the personal dosimetry with almost 2 mSv a year per person in the areas occupied by staff (conservative estimation. In rooms with 15 MV accelerators, the neutron exposure to the personnel was significantly lower than in the rooms having 18 MV accelerators installed. It was even more pronounced in the room reconstructed after the 60Co decommissioning. This study confirms that shielding from the neutron radiation should be considered when building vaults for high energy linear accelerators, especially when the space constraints exist.

  2. Electron densities and energies of a guided argon streamer in argon and air environments

    International Nuclear Information System (INIS)

    Hübner, S; Hofmann, S; Van Veldhuizen, E M; Bruggeman, P J

    2013-01-01

    In this study we report the temporally and spatially resolved electron densities and mean energies of a guided argon streamer in ambient argon and air obtained by Thomson laser scattering. The plasma is driven by a positive monopolar 3.5 kV pulse, with a pulse width of 500 ns and a frequency of 5 kHz which is synchronized with the high repetition rate laser system. This configuration enables us to use the spatial and temporal stability of the guided streamer to accumulate a multitude of laser/plasma shots by a triple grating spectrometer equipped with an ICCD camera and to determine the electron parameters. We found a strong initial n e -overshoot with a maximum of 7 × 10 19  m −3 and a mean electron energy of 4.5 eV. This maximum is followed by a fast decay toward the streamer channel. Moreover, a 2D distribution of the electron density is obtained which exhibits a peculiar mushroom-like shape of the streamer head with a diameter significantly larger than that of the emission profile. A correlation of the width of the streamer head with the expected pre-ionization channel is found. (paper)

  3. 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

  4. Electronic and interface state density properties of Cu/n-Si MIS-type diode

    Energy Technology Data Exchange (ETDEWEB)

    Yakuphanoglu, Fahrettin [Physics Department, Firat University, Elazig 23169 (Turkey)]. E-mail: fyhanoglu@firat.edu.tr

    2007-05-01

    Electronic and interface-state density properties of the Cu/n-Si diode were investigated by current-voltage and capacitance-voltage (C-V) analyses. The electronic parameters such as barrier height, ideality factor and series resistance of the diode were determined by performing different plots. The barrier height, ideality factor and series resistance values of the diode were found to be 0.69 eV, 5.31 and 7.63 k{omega}, respectively. The obtained ideality factor confirms that the Cu/n-Si device has a metal-insulator-semiconductor (MIS) configuration. The conductance mechanism of the Cu/n-Si diode is in agreement with typical of hopping conduction in polycrystalline and amorphous materials. The interface state density of the diode was found to vary from 1.45x10{sup 13} (eV{sup -1} cm{sup 2}) at E {sub C}-0.45 eV to 0.88x10{sup 13} (eV{sup -1} cm{sup 2}) at E {sub C}-0.66 eV.

  5. Electron density profile determination by means of laser blow-off injected neutral beam

    International Nuclear Information System (INIS)

    Kocsis, G.; Bakos, J.S.; Ignacz, P.N.; Kardon, B.; Koltai, L.; Veres, G.

    1992-01-01

    This paper is devoted to the experimental and theoretical studies of the determination of the electron density profiles by means of laser blow-off neutrals. For the determination of the density profile the time and spatial distributions of the spectral line radiation intensity of the injected neutrals are used. The method is compared to other previously proposed methods and the advantages and disadvantages of the different methods are discussed. The result of the comparison is that our method gives the most reliable result with the highest temporal resolution for the density profile of the edge plasma. The only disadvantage is the need of careful calibration of the sensitivity of the spatial channels. The advantage is the ability of the method as a standard diagnostic. (orig.)

  6. Heating power at the substrate, electron temperature, and electron density in 2.45 GHz low-pressure microwave plasma

    Science.gov (United States)

    Kais, A.; Lo, J.; Thérèse, L.; Guillot, Ph.

    2018-01-01

    To control the temperature during a plasma treatment, an understanding of the link between the plasma parameters and the fundamental process responsible for the heating is required. In this work, the power supplied by the plasma onto the surface of a glass substrate is measured using the calorimetric method. It has been shown that the powers deposited by ions and electrons, and their recombination at the surface are the main contributions to the heating power. Each contribution is estimated according to the theory commonly used in the literature. Using the corona balance, the Modified Boltzmann Plot (MBP) is employed to determine the electron temperature. A correlation between the power deposited by the plasma and the results of the MBP has been established. This correlation has been used to estimate the electron number density independent of the Langmuir probe in considered conditions.

  7. Electronic response and longitudinal phonons of a charge-density-wave distorted linear chain

    International Nuclear Information System (INIS)

    Giuliani, G.

    1978-01-01

    The longitudinal-phonon spectrum of an incommensurate charge-density-wave distorted linear chain at T = 0 K are calculated. This is done by direct numerical evaluation of the full static-electronic-response matrix. The electronic band structure assumed for this purpose is that of a mean-field theory 1-D Peierls insulator. The present results show how, within this simplified, but self-consistent picture, the phase and amplitude modes connect to, and interact with, the ordinary longitudinal-phonon branch. Effects due to our inclusion of (0,2ksub(F)) scattering along with the usual (-2ksub(F), 2ksub(F)) are also pointed out. An alternative approximate expression for the 1-D electronic-response matrix is also given. (author)

  8. Regions of low electron density in the Earth plasmasphere

    International Nuclear Information System (INIS)

    Grigor'eva, V.P.; Pisareva, V.V.

    1987-01-01

    Regions with low electron density N e were detected in night, morning and evening hours according to observations of natural noise, made on board ''Prognos-5'' satellite from January till June, 1977 in the plasmasphere for the southern Earth semisphere. The largest regions with low N e values were located in the region of the Brazil magnetic anomaly in the range of geographic latitudes ∼ ± 30 deg from the equator and longitudes from 100 up to 240 deg E, as well as in the latitudes near-by the geomagnetic equator and in the regions with slight shift from it to the winter hemisphere

  9. State-Dependent Implication and Equivalence in Quantum Logic

    Directory of Open Access Journals (Sweden)

    Fedor Herbut

    2012-01-01

    Full Text Available Ideal occurrence of an event (projector leads to the known change of a state (density operator into (the Lüders state. It is shown that two events and give the same Lüders state if and only if the equivalence relation is valid. This relation determines equivalence classes. The set of them and each class, are studied in detail. It is proved that the range projector of the Lüders state can be evaluated as , where denotes the greatest lower bound, and is the null projector of . State-dependent implication extends absolute implication (which, in turn, determines the entire structure of quantum logic. and are investigated in a closely related way to mutual benefit. Inherent in the preorder is the state-dependent equivalence , defining equivalence classes in a given Boolean subalgebra. The quotient set, in which the classes are the elements, has itself a partially ordered structure, and so has each class. In a complete Boolean subalgebra, both structures are complete lattices. Physical meanings are discussed.

  10. 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.

  11. Study on electron density and average degree of ionization for the non-ideal argon plasmas

    International Nuclear Information System (INIS)

    Jing Ming; Huang Hua; Zhou Yisu; Wang Caixia

    2008-01-01

    Electron density and average degree of ionization of the non-ideal argon plasmas under different plasma temperature and density are calculated by using SHM model. It comes to a conclusion that the average degree of ionization is less than 0.5 for the non-ideal argon plasmas at temperature T=2.0eV and plasma density ρ=(0.01-0.5)g·cm -3 , and the average degree of ionization is reduced with the increase of plasma density ρ. This indicates that the non-ideal argon plasma has a very low degree of ionization so that most argon has not been ionized. In addition, the discussion on the ionization decrease with the increase of plasma density ρ is given. (authors)

  12. The influence of the edge density fluctuations on electron cyclotron wave beam propagation in tokamaks

    International Nuclear Information System (INIS)

    Bertelli, N; Balakin, A A; Westerhof, E; Garcia, O E; Nielsen, A H; Naulin, V

    2010-01-01

    A numerical analysis of the electron cyclotron (EC) wave beam propagation in the presence of edge density fluctuations by means of a quasi-optical code [Balakin A. A. et al, Nucl. Fusion 48 (2008) 065003] is presented. The effects of the density fluctuations on the wave beam propagation are estimated in a vacuum beam propagation between the edge density layer and the EC resonance absorption layer. Consequences on the EC beam propagation are investigated by using a simplified model in which the density fluctuations are described by a single harmonic oscillation. In addition, quasi-optical calculations are shown by using edge density fluctuations as calculated by two-dimensional interchange turbulence simulations and validated with the experimental data [O. E. Garcia et al, Nucl. Fusion 47 (2007) 667].

  13. A study on conductivity, density, and viscosity of molten salt systems

    International Nuclear Information System (INIS)

    Cho, Kangjo

    1976-01-01

    A relation between the equivalent conductivity and density for molten salts is deduced with the aid of significant structures theory, and the solid state density at melting point is evaluated approximately for some rare-earth metal chlorides and the other chlorides. Furthermore, the relation among the equivalent conductivity, density, and viscosity for some molten salts is discussed. (auth.)

  14. Measurements of transient electron density distributions by femtosecond X-ray diffraction

    International Nuclear Information System (INIS)

    Freyer, Benjamin

    2013-01-01

    This thesis concerns measurements of transient charge density maps by femtosecond X-ray diffraction. Different X-ray diffraction methods will be considered, particularly with regard to their application in femtosecond X-ray diffraction. The rotation method is commonly used in stationary X-ray diffraction. In the work in hand an X-ray diffraction experiment is demonstrated, which combines the method with ultrafast X-ray pulses. This experiment is the first implementation which makes use of the rotation method to map transient intensities of a multitude of Bragg reflections. As a prototype material Bismuth is used, which previously was studied frequently by femtosecond X-ray diffraction by measuring Bragg reflections successively. The experimental results of the present work are compared with the literature data. In the second part a powder-diffraction experiment will be presented, which is used to study the dynamics of the electron-density distribution on ultrafast time scales. The experiment investigates a transition metal complex after photoexcitation of the metal to ligand charge transfer state. Besides expected results, i. e. the change of the bond length between the metal and the ligand and the transfer of electronic charge from the metal to the ligand, a strong contribution of the anion to the charge transfer was found. Furthermore, the charge transfer has predominantly a cooperative character. That is, the excitation of a single complex causes an alteration of the charge density of several neighboring units. The results show that more than 30 transition-metal complexes and 60 anions contribute to the charge transfer. This collective response is a consequence of the strong coulomb interactions of the densely packed ions.

  15. Positron study of electron momentum density and Fermi surface in titanium and zirconium

    International Nuclear Information System (INIS)

    Suzuki, Ryoichi; Osawa, Makoto; Tanigawa, Shoichiro; Matsumoto, Makoto; Shiotani, Nobuhiro.

    1989-01-01

    The three dimensional electron-positron momentum densities have been obtained on Ti and Zr from measurements of two dimensional angular correlation of positron annihilation radiation followed by an image reconstruction technique based on direct Fourier transformation. Augmented-plane wave band structure calculations have been carried out and the results are compared with the experiments. Agreement between the experiment and the theory leads to a conclusion that both Ti and Zr have electron surface sheets which are centered at H and hole surface sheets which are running along the Γ-A axis. (author)

  16. Nonadiabatic Dynamics in Single-Electron Tunneling Devices with Time-Dependent Density-Functional Theory

    Science.gov (United States)

    Dittmann, Niklas; Splettstoesser, Janine; Helbig, Nicole

    2018-04-01

    We simulate the dynamics of a single-electron source, modeled as a quantum dot with on-site Coulomb interaction and tunnel coupling to an adjacent lead in time-dependent density-functional theory. Based on this system, we develop a time-nonlocal exchange-correlation potential by exploiting analogies with quantum-transport theory. The time nonlocality manifests itself in a dynamical potential step. We explicitly link the time evolution of the dynamical step to physical relaxation timescales of the electron dynamics. Finally, we discuss prospects for simulations of larger mesoscopic systems.

  17. Accurate core-electron binding energy shifts from density functional theory

    International Nuclear Information System (INIS)

    Takahata, Yuji; Marques, Alberto Dos Santos

    2010-01-01

    Current review covers description of density functional methods of calculation of accurate core-electron binding energy (CEBE) of second and third row atoms; applications of calculated CEBEs and CEBE shifts (ΔCEBEs) in elucidation of topics such as: hydrogen-bonding, peptide bond, polymers, DNA bases, Hammett substituent (σ) constants, inductive and resonance effects, quantitative structure activity relationship (QSAR), and solid state effect (WD). This review limits itself to works of mainly Chong and his coworkers for the period post-2002. It is not a fully comprehensive account of the current state of the art.

  18. MODEL-OBSERVATION COMPARISONS OF ELECTRON NUMBER DENSITIES IN THE COMA OF 67P/CHURYUMOV–GERASIMENKO DURING 2015 JANUARY

    Energy Technology Data Exchange (ETDEWEB)

    Vigren, E.; Edberg, N. J. T.; Eriksson, A. I.; Johansson, F.; Odelstad, E. [Swedish Institute of Space Physics, Uppsala (Sweden); Altwegg, K.; Tzou, C.-Y. [Physikalisches Institut, University of Bern, Bern (Switzerland); Galand, M. [Department of Physics, Imperial College London, London (United Kingdom); Henri, P.; Valliéres, X., E-mail: erik.vigren@irfu.se [Laboratoire de Physique et Chimie de l’Environnement et de l’Espace, Orleans (France)

    2016-09-01

    During 2015 January 9–11, at a heliocentric distance of ∼2.58–2.57 au, the ESA Rosetta spacecraft resided at a cometocentric distance of ∼28 km from the nucleus of comet 67P/Churyumov–Gerasimenko, sweeping the terminator at northern latitudes of 43°N–58°N. Measurements by the Rosetta Orbiter Spectrometer for Ion and Neutral Analysis/Comet Pressure Sensor (ROSINA/COPS) provided neutral number densities. We have computed modeled electron number densities using the neutral number densities as input into a Field Free Chemistry Free model, assuming H{sub 2}O dominance and ion-electron pair formation by photoionization only. A good agreement (typically within 25%) is found between the modeled electron number densities and those observed from measurements by the Mutual Impedance Probe (RPC/MIP) and the Langmuir Probe (RPC/LAP), both being subsystems of the Rosetta Plasma Consortium. This indicates that ions along the nucleus-spacecraft line were strongly coupled to the neutrals, moving radially outward with about the same speed. Such a statement, we propose, can be further tested by observations of H{sub 3}O{sup +}/H{sub 2}O{sup +} number density ratios and associated comparisons with model results.

  19. Electron density in reasonably real metallic surfaces, including interchange and correlation effects

    International Nuclear Information System (INIS)

    Moraga, L.A.; Martinez, G.

    1981-01-01

    By means of a new method, the electron density in a jellium surface is calculated taking in account interchange and correlation effects; reproducing, in this way, the Lang and Kohn results. The new method is self-consistent but not iterative and hence is possible extend it to the solution of the same problem in more reasonably real metallic surfaces. (L.C.) [pt

  20. Microwave reflectrometry for electron density measurements in the TJ-1 tokamak plasma

    International Nuclear Information System (INIS)

    Anabitarte, E.; Bustamante, E.G.; Calderon, M.A.G.; Vegas, A.

    1986-01-01

    A study about microwave reflectometry to measure the outside profile of the electron plasma density on tokamak TJ-1 is presented. It is also presented the condition of applicability of this method after the characteristic parameters of the plasma and its resolution. The simulation of the plasma in laboratory by means of a metallic mirror causes the whole characterization of the reflectometer. (author)