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Sample records for 2d electron density

  1. 2D electron density profile measurement in tokamak by laser-accelerated ion-beam probe

    SciTech Connect

    Chen, Y. H.; Yang, X. Y.; Lin, C. E-mail: cjxiao@pku.edu.cn; Wang, X. G.; Xiao, C. J. E-mail: cjxiao@pku.edu.cn; Wang, L.; Xu, M.

    2014-11-15

    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.

  2. Reorientation of the Stripe Phase of 2D Electrons by a Minute Density Modulation

    NASA Astrophysics Data System (ADS)

    Mueed, M. A.; Hossain, Md. Shafayat; Pfeiffer, L. N.; West, K. W.; Baldwin, K. W.; Shayegan, M.

    2016-08-01

    Interacting two-dimensional electrons confined in a GaAs quantum well exhibit isotropic transport when the Fermi level resides in the first excited (N =1 ) Landau level. Adding an in-plane magnetic field (B||) typically leads to an anisotropic, stripelike (nematic) phase of electrons with the stripes oriented perpendicular to the B|| direction. Our experimental data reveal how a periodic density modulation, induced by a surface strain grating from strips of negative electron-beam resist, competes against the B||-induced orientational order of the stripe phase. Even a minute (<0.25 %) density modulation is sufficient to reorient the stripes along the direction of the surface grating.

  3. Oxide 2D electron gases as a route for high carrier densities on (001) Si

    SciTech Connect

    Kornblum, Lior; Jin, Eric N.; Kumah, Divine P.; Walker, Fred J.; Ernst, Alexis T.; Broadbridge, Christine C.; Ahn, Charles H.

    2015-05-18

    Two dimensional electron gases (2DEGs) formed at the interfaces of oxide heterostructures draw considerable interest owing to their unique physics and potential applications. Growing such heterostructures on conventional semiconductors has the potential to integrate their functionality with semiconductor device technology. We demonstrate 2DEGs on a conventional semiconductor by growing GdTiO{sub 3}-SrTiO{sub 3} on silicon. Structural analysis confirms the epitaxial growth of heterostructures with abrupt interfaces and a high degree of crystallinity. Transport measurements show the conduction to be an interface effect, ∼9 × 10{sup 13} cm{sup −2} electrons per interface. Good agreement is demonstrated between the electronic behavior of structures grown on Si and on an oxide substrate, validating the robustness of this approach to bridge between lab-scale samples to a scalable, technologically relevant materials system.

  4. 2D microwave imaging reflectometer electronics

    SciTech Connect

    Spear, A. G.; Domier, C. W. Hu, X.; Muscatello, C. M.; Ren, X.; Luhmann, N. C.; Tobias, B. J.

    2014-11-15

    A 2D microwave imaging reflectometer system has been developed to visualize electron density fluctuations on the DIII-D tokamak. Simultaneously illuminated at four probe frequencies, large aperture optics image reflections from four density-dependent cutoff surfaces in the plasma over an extended region of the DIII-D plasma. Localized density fluctuations in the vicinity of the plasma cutoff surfaces modulate the plasma reflections, yielding a 2D image of electron density fluctuations. Details are presented of the receiver down conversion electronics that generate the in-phase (I) and quadrature (Q) reflectometer signals from which 2D density fluctuation data are obtained. Also presented are details on the control system and backplane used to manage the electronics as well as an introduction to the computer based control program.

  5. 2D microwave imaging reflectometer electronics.

    PubMed

    Spear, A G; Domier, C W; Hu, X; Muscatello, C M; Ren, X; Tobias, B J; Luhmann, N C

    2014-11-01

    A 2D microwave imaging reflectometer system has been developed to visualize electron density fluctuations on the DIII-D tokamak. Simultaneously illuminated at four probe frequencies, large aperture optics image reflections from four density-dependent cutoff surfaces in the plasma over an extended region of the DIII-D plasma. Localized density fluctuations in the vicinity of the plasma cutoff surfaces modulate the plasma reflections, yielding a 2D image of electron density fluctuations. Details are presented of the receiver down conversion electronics that generate the in-phase (I) and quadrature (Q) reflectometer signals from which 2D density fluctuation data are obtained. Also presented are details on the control system and backplane used to manage the electronics as well as an introduction to the computer based control program.

  6. Positron 2D-ACAR experiments and electron-positron momentum density in YBa{sub 2}Cu{sub 3}O{sub 7-x}

    SciTech Connect

    Smedskjaer, L.C.; Welp, U.; Fang, Y.; Bailey, K.G.; Bansil, A.

    1991-12-01

    We discuss positron annihilation (2D-ACAR) measurements in the C- projection on an untwinned metallic single crystal of YBa{sub 2}Cu{sub 3}O{sub 7-x} as a function of temperature, for five temperatures ranging from 30K to 300K. The measured 2D-ACAR intensities are interpreted in terms of the electron-positron momentum density obtained within the KKR-band theory framework. The temperature dependence of the 2D-ACAR spectra is used to extract a ``background corrected`` experimental spectrum which is in remarkable accord with the corresponding band theory predictions, and displays in particular clear signatures of the electron ridge Fermi surface.

  7. Positron 2D-ACAR experiments and electron-positron momentum density in YBa sub 2 Cu sub 3 O sub 7-x

    SciTech Connect

    Smedskjaer, L.C.; Welp, U.; Fang, Y.; Bailey, K.G. ); Bansil, A. . Dept. of Physics)

    1991-12-01

    We discuss positron annihilation (2D-ACAR) measurements in the C- projection on an untwinned metallic single crystal of YBa{sub 2}Cu{sub 3}O{sub 7-x} as a function of temperature, for five temperatures ranging from 30K to 300K. The measured 2D-ACAR intensities are interpreted in terms of the electron-positron momentum density obtained within the KKR-band theory framework. The temperature dependence of the 2D-ACAR spectra is used to extract a background corrected'' experimental spectrum which is in remarkable accord with the corresponding band theory predictions, and displays in particular clear signatures of the electron ridge Fermi surface.

  8. Quantum coherence selective 2D Raman-2D electronic spectroscopy

    NASA Astrophysics Data System (ADS)

    Spencer, Austin P.; Hutson, William O.; Harel, Elad

    2017-03-01

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational-vibrational, electronic-vibrational and electronic-electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment-protein complexes.

  9. Quantum coherence selective 2D Raman-2D electronic spectroscopy.

    PubMed

    Spencer, Austin P; Hutson, William O; Harel, Elad

    2017-03-10

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational-vibrational, electronic-vibrational and electronic-electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment-protein complexes.

  10. Quantum coherence selective 2D Raman–2D electronic spectroscopy

    PubMed Central

    Spencer, Austin P.; Hutson, William O.; Harel, Elad

    2017-01-01

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational–vibrational, electronic–vibrational and electronic–electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment–protein complexes. PMID:28281541

  11. Transport Experiments on 2D Correlated Electron Physics in Semiconductors

    SciTech Connect

    Tsui, Daniel

    2014-03-24

    This research project was designed to investigate experimentally the transport properties of the 2D electrons in Si and GaAs, two prototype semiconductors, in several new physical regimes that were previously inaccessible to experiments. The research focused on the strongly correlated electron physics in the dilute density limit, where the electron potential energy to kinetic energy ratio rs>>1, and on the fractional quantum Hall effect related physics in nuclear demagnetization refrigerator temperature range on samples with new levels of purity and controlled random disorder.

  12. The Weighted Burgers Vector: a new quantity for constraining dislocation densities and types using electron backscatter diffraction on 2D sections through crystalline materials.

    PubMed

    Wheeler, J; Mariani, E; Piazolo, S; Prior, D J; Trimby, P; Drury, M R

    2009-03-01

    The Weighted Burgers Vector (WBV) is defined here as the sum, over all types of dislocations, of [(density of intersections of dislocation lines with a map) x (Burgers vector)]. Here we show that it can be calculated, for any crystal system, solely from orientation gradients in a map view, unlike the full dislocation density tensor, which requires gradients in the third dimension. No assumption is made about gradients in the third dimension and they may be non-zero. The only assumption involved is that elastic strains are small so the lattice distortion is entirely due to dislocations. Orientation gradients can be estimated from gridded orientation measurements obtained by EBSD mapping, so the WBV can be calculated as a vector field on an EBSD map. The magnitude of the WBV gives a lower bound on the magnitude of the dislocation density tensor when that magnitude is defined in a coordinate invariant way. The direction of the WBV can constrain the types of Burgers vectors of geometrically necessary dislocations present in the microstructure, most clearly when it is broken down in terms of lattice vectors. The WBV has three advantages over other measures of local lattice distortion: it is a vector and hence carries more information than a scalar quantity, it has an explicit mathematical link to the individual Burgers vectors of dislocations and, since it is derived via tensor calculus, it is not dependent on the map coordinate system. If a sub-grain wall is included in the WBV calculation, the magnitude of the WBV becomes dependent on the step size but its direction still carries information on the Burgers vectors in the wall. The net Burgers vector content of dislocations intersecting an area of a map can be simply calculated by an integration round the edge of that area, a method which is fast and complements point-by-point WBV calculations.

  13. Splashing transients of 2D plasmons launched by swift electrons

    PubMed Central

    Lin, Xiao; Kaminer, Ido; Shi, Xihang; Gao, Fei; Yang, Zhaoju; Gao, Zhen; Buljan, Hrvoje; Joannopoulos, John D.; Soljačić, Marin; Chen, Hongsheng; Zhang, Baile

    2017-01-01

    Launching of plasmons by swift electrons has long been used in electron energy–loss spectroscopy (EELS) to investigate the plasmonic properties of ultrathin, or two-dimensional (2D), electron systems. However, the question of how a swift electron generates plasmons in space and time has never been answered. We address this issue by calculating and demonstrating the spatial-temporal dynamics of 2D plasmon generation in graphene. We predict a jet-like rise of excessive charge concentration that delays the generation of 2D plasmons in EELS, exhibiting an analog to the hydrodynamic Rayleigh jet in a splashing phenomenon before the launching of ripples. The photon radiation, analogous to the splashing sound, accompanies the plasmon emission and can be understood as being shaken off by the Rayleigh jet–like charge concentration. Considering this newly revealed process, we argue that previous estimates on the yields of graphene plasmons in EELS need to be reevaluated. PMID:28138546

  14. Dual-mode operation of 2D material-base hot electron transistors.

    PubMed

    Lan, Yann-Wen; Torres, Carlos M; Zhu, Xiaodan; Qasem, Hussam; Adleman, James R; Lerner, Mitchell B; Tsai, Shin-Hung; Shi, Yumeng; Li, Lain-Jong; Yeh, Wen-Kuan; Wang, Kang L

    2016-09-01

    Vertical hot electron transistors incorporating atomically-thin 2D materials, such as graphene or MoS2, in the base region have been proposed and demonstrated in the development of electronic and optoelectronic applications. To the best of our knowledge, all previous 2D material-base hot electron transistors only considered applying a positive collector-base potential (VCB > 0) as is necessary for the typical unipolar hot-electron transistor behavior. Here we demonstrate a novel functionality, specifically a dual-mode operation, in our 2D material-base hot electron transistors (e.g. with either graphene or MoS2 in the base region) with the application of a negative collector-base potential (VCB < 0). That is, our 2D material-base hot electron transistors can operate in either a hot-electron or a reverse-current dominating mode depending upon the particular polarity of VCB. Furthermore, these devices operate at room temperature and their current gains can be dynamically tuned by varying VCB. We anticipate our multi-functional dual-mode transistors will pave the way towards the realization of novel flexible 2D material-based high-density and low-energy hot-carrier electronic applications.

  15. Dual-mode operation of 2D material-base hot electron transistors

    PubMed Central

    Lan, Yann-Wen; Torres, Jr., Carlos M.; Zhu, Xiaodan; Qasem, Hussam; Adleman, James R.; Lerner, Mitchell B.; Tsai, Shin-Hung; Shi, Yumeng; Li, Lain-Jong; Yeh, Wen-Kuan; Wang, Kang L.

    2016-01-01

    Vertical hot electron transistors incorporating atomically-thin 2D materials, such as graphene or MoS2, in the base region have been proposed and demonstrated in the development of electronic and optoelectronic applications. To the best of our knowledge, all previous 2D material-base hot electron transistors only considered applying a positive collector-base potential (VCB > 0) as is necessary for the typical unipolar hot-electron transistor behavior. Here we demonstrate a novel functionality, specifically a dual-mode operation, in our 2D material-base hot electron transistors (e.g. with either graphene or MoS2 in the base region) with the application of a negative collector-base potential (VCB < 0). That is, our 2D material-base hot electron transistors can operate in either a hot-electron or a reverse-current dominating mode depending upon the particular polarity of VCB. Furthermore, these devices operate at room temperature and their current gains can be dynamically tuned by varying VCB. We anticipate our multi-functional dual-mode transistors will pave the way towards the realization of novel flexible 2D material-based high-density and low-energy hot-carrier electronic applications. PMID:27581550

  16. Dual-mode operation of 2D material-base hot electron transistors

    NASA Astrophysics Data System (ADS)

    Lan, Yann-Wen; Torres, Carlos M., Jr.; Zhu, Xiaodan; Qasem, Hussam; Adleman, James R.; Lerner, Mitchell B.; Tsai, Shin-Hung; Shi, Yumeng; Li, Lain-Jong; Yeh, Wen-Kuan; Wang, Kang L.

    2016-09-01

    Vertical hot electron transistors incorporating atomically-thin 2D materials, such as graphene or MoS2, in the base region have been proposed and demonstrated in the development of electronic and optoelectronic applications. To the best of our knowledge, all previous 2D material-base hot electron transistors only considered applying a positive collector-base potential (VCB > 0) as is necessary for the typical unipolar hot-electron transistor behavior. Here we demonstrate a novel functionality, specifically a dual-mode operation, in our 2D material-base hot electron transistors (e.g. with either graphene or MoS2 in the base region) with the application of a negative collector-base potential (VCB < 0). That is, our 2D material-base hot electron transistors can operate in either a hot-electron or a reverse-current dominating mode depending upon the particular polarity of VCB. Furthermore, these devices operate at room temperature and their current gains can be dynamically tuned by varying VCB. We anticipate our multi-functional dual-mode transistors will pave the way towards the realization of novel flexible 2D material-based high-density and low-energy hot-carrier electronic applications.

  17. Quantum Oscillations in an Interfacial 2D Electron Gas.

    SciTech Connect

    Zhang, Bingop; Lu, Ping; Liu, Henan; Lin, Jiao; Ye, Zhenyu; Jaime, Marcelo; Balakirev, Fedor F.; Yuan, Huiqiu; Wu, Huizhen; Pan, Wei; Zhang, Yong

    2016-01-01

    Recently, it has been predicted that topological crystalline insulators (TCIs) may exist in SnTe and Pb1-xSnxTe thin films [1]. To date, most studies on TCIs were carried out either in bulk crystals or thin films, and no research activity has been explored in heterostructures. We present here the results on electronic transport properties of the 2D electron gas (2DEG) realized at the interfaces of PbTe/ CdTe (111) heterostructures. Evidence of topological state in this interfacial 2DEG was observed.

  18. Optimizing sparse sampling for 2D electronic spectroscopy

    NASA Astrophysics Data System (ADS)

    Roeding, Sebastian; Klimovich, Nikita; Brixner, Tobias

    2017-02-01

    We present a new data acquisition concept using optimized non-uniform sampling and compressed sensing reconstruction in order to substantially decrease the acquisition times in action-based multidimensional electronic spectroscopy. For this we acquire a regularly sampled reference data set at a fixed population time and use a genetic algorithm to optimize a reduced non-uniform sampling pattern. We then apply the optimal sampling for data acquisition at all other population times. Furthermore, we show how to transform two-dimensional (2D) spectra into a joint 4D time-frequency von Neumann representation. This leads to increased sparsity compared to the Fourier domain and to improved reconstruction. We demonstrate this approach by recovering transient dynamics in the 2D spectrum of a cresyl violet sample using just 25% of the originally sampled data points.

  19. Femtosecond Dynamics of Electrons in 2-D Dissipative Systems

    NASA Astrophysics Data System (ADS)

    Harris, Charles

    2000-03-01

    Transitions between weakly coupled initial and final states can be treated with a lowest order perturbation theory in the electronic coupling which yields the well-known golden rule in this non-adiabatic limit. In strongly interacting systems, one often resorts to semiclassical treatments, such as the Landau-Zener formula for the transition probability in the adiabatic limit. Recent electron transfer theory by Stuchebrukhov and Song treats the two limit on equal footing by summing over all perturbation orders in electronic coupling[1]. Here we present the application of this theory to model the dynamics of electron self-trapping in 2-D at the n-heptane/Ag(111) and anthracene/Ag(111) interface. Our results revealed an intermediate electronic coupling for the self-trapping process at the n-heptane/Ag(111) interface which can mainly be described by a non-adiabatic process. Results for electron self-trapping at the anthracene/Ag(111) interface revealed a stronger electronic coupling which requires the summing of higher perturbation orders. [1] A.A. Stuchebrukhov and X. song, J. Chem. Phys. 101, 9354, 1994. [2] N.-H. Ge,C.M. Wong, R.L. Lingle, Jr., J.D. McNeill, K.J. Gaffney, and C.B. Harris, Science 279, 202, 1998.

  20. Nanoscale Tunable Strong Carrier Density Modulation of 2D Materials for Metamaterials and Other Tunable Optoelectronics

    NASA Astrophysics Data System (ADS)

    Peng, Cheng; Efetov, Dmitri; Shiue, Ren-Jye; Nanot, Sebastien; Hempel, Marek; Kong, Jing; Koppens, Frank; Englund, Dirk

    Strong spatial tunability of the charge carrier density at nanoscale is essential to many 2D-material-based electronic and optoelectronic applications. As an example, plasmonic metamaterials with nanoscale dimensions would make graphene plasmonics at visible and near-infrared wavelengths possible. However, existing gating techniques based on conventional dielectric gating geometries limit the spatial resolution and achievable carrier concentration, strongly restricting the available wavelength, geometry, and quality of the devices. Here, we present a novel spatially selective electrolyte gating approach that allows for in-plane spatial Fermi energy modulation of 2D materials of more than 1 eV (carrier density of n = 1014 cm-2) across a length of 2 nm. We present electrostatic simulations as well as electronic transport, photocurrent, cyclic voltammetry and optical spectroscopy measurements to characterize the performance of the gating technique applied to graphene devices. The high spatial resolution, high doping capacity, full tunability and self-aligned device geometry of the presented technique opens a new venue for nanoscale metamaterial engineering of 2D materials for complete optical absorption, nonlinear optics and sensing, among other applications.

  1. Experiments on 2D Vortex Patterns with a Photoinjected Pure Electron Plasma

    NASA Astrophysics Data System (ADS)

    Durkin, Daniel; Fajans, Joel

    1998-11-01

    The equations governing the evolution of a strongly magnetized pure electron plasma are analogous to those of an ideal 2D fluid; plasma density is analogous to fluid vorticity. Therefore, we can study vortex dynamics with pure electron plasmas. We generate our electron plasma with a photocathode electron source. The photocathode provides greater control over the initial profile than previous thermionic sources and allows us to create complicated initial density distributions, corresponding to complicated vorticity distributions in a fluid. Results on the stability of 2D vortex patterns will be presented: 1) The stability of N vortices arranged in a ring; 2) The stability of N vortices arranged in a ring with a central vortex; 3) The stability of more complicated vortex patterns.(http://socrates.berkeley.edu/ )fajans/

  2. Quasi 2D Ultrahigh Carrier Density in a Complex Oxide Broken Gap Heterojunction

    SciTech Connect

    Xu, Peng; Droubay, Timothy C.; Jeong, Jong S.; Mkhoyan, K. A.; Sushko, Petr; Chambers, Scott A.; Jalan, Bharat

    2016-01-21

    Two-dimensional (2D) ultra-high carrier densities at complex oxide interfaces are of considerable current research interest for novel plasmonic and high charge-gain devices. However, the highest 2D electron density obtained in oxide heterostructures is thus far limited to 3×1014 cm-2 (½ electron/unit cell/interface) at GdTiO3/SrTiO3 interfaces, and is typically an order of magnitude lower at LaAlO3/SrTiO3 interfaces. Here we show that carrier densities much higher than 3×1014 cm-2 can be achieved via band engineering. Transport measurements for 3 nm SrTiO3/t u.c. NdTiO3/3 nm SrTiO3/LSAT (001) show that charge transfer significantly in excess of the value expected from the polar discontinuity model occurs for higher t values. The carrier density remains unchanged, and equivalent to ½ electron/unit cell/interface for t < 6 unit cells. However, above a critical NdTiO3 thickness of 6 u.c., electrons from the valence band of NdTiO3 spill over into the SrTiO3 conduction band as a natural consequence of the band alignment. An atomistic model consistent with first-principle calculations and experimental results is proposed for the charge transfer mechanisms. These results may provide an exceptional route to the realization of the room-temperature oxide electronics.

  3. Density functional theory for polymeric systems in 2D.

    PubMed

    Słyk, Edyta; Roth, Roland; Bryk, Paweł

    2016-06-22

    We propose density functional theory for polymeric fluids in two dimensions. The approach is based on Wertheim's first order thermodynamic perturbation theory (TPT) and closely follows density functional theory for polymers proposed by Yu and Wu (2002 J. Chem. Phys. 117 2368). As a simple application we evaluate the density profiles of tangent hard-disk polymers at hard walls. The theoretical predictions are compared against the results of the Monte Carlo simulations. We find that for short chain lengths the theoretical density profiles are in an excellent agreement with the Monte Carlo data. The agreement is less satisfactory for longer chains. The performance of the theory can be improved by recasting the approach using the self-consistent field theory formalism. When the self-avoiding chain statistics is used, the theory yields a marked improvement in the low density limit. Further improvements for long chains could be reached by going beyond the first order of TPT.

  4. Force Density Function Relationships in 2-D Granular Media

    NASA Technical Reports Server (NTRS)

    Youngquist, Robert C.; Metzger, Philip T.; Kilts, Kelly N.

    2004-01-01

    An integral transform relationship is developed to convert between two important probability density functions (distributions) used in the study of contact forces in granular physics. Developing this transform has now made it possible to compare and relate various theoretical approaches with one another and with the experimental data despite the fact that one may predict the Cartesian probability density and another the force magnitude probability density. Also, the transforms identify which functional forms are relevant to describe the probability density observed in nature, and so the modified Bessel function of the second kind has been identified as the relevant form for the Cartesian probability density corresponding to exponential forms in the force magnitude distribution. Furthermore, it is shown that this transform pair supplies a sufficient mathematical framework to describe the evolution of the force magnitude distribution under shearing. Apart from the choice of several coefficients, whose evolution of values must be explained in the physics, this framework successfully reproduces the features of the distribution that are taken to be an indicator of jamming and unjamming in a granular packing. Key words. Granular Physics, Probability Density Functions, Fourier Transforms

  5. Electronic structure study on 2D hydrogenated Icosagens nitride nanosheets

    NASA Astrophysics Data System (ADS)

    Ramesh, S.; Marutheeswaran, S.; Ramaclus, Jerald V.; Paul, Dolon Chapa

    2014-12-01

    Metal nitride nanosheets has attracted remarkable importance in surface catalysis due to its characteristic ionic nature. In this paper, using density functional theory, we investigate geometric stability and electronic properties of hydrogenated Icosagen nitride nanosheets. Binding energy of the sheets reveals hydrogenation is providing more stability. Band structure of the hydrogenated sheets is found to be n-type semiconductor. Partial density of states shows metals (B, Al, Ga and In) and its hydrogens dominating in the Fermi region. Mulliken charge analysis indications that hydrogenated nanosheets are partially hydridic surface nature except boron nitride.

  6. Visualization of electronic density

    DOE PAGES

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

    2015-04-22

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

  7. Representativeness of 2D models to simulate 3D unstable variable density flow in porous media

    NASA Astrophysics Data System (ADS)

    Knorr, Bastian; Xie, Yueqing; Stumpp, Christine; Maloszewski, Piotr; Simmons, Craig T.

    2016-11-01

    Variable density flow in porous media has been studied primarily using numerical models because it is a semi-chaotic and transient process. Most of these studies have been 2D, owing to the computational restrictions on 3D simulations, and the ability to observe variable density flow in 2D experimentation. However, it is recognised that variable density flow is a three-dimensional process. A 3D system may cause weaker variable density flow than a 2D system due to stronger dispersion, but may also result in bigger fingers and hence stronger variable density flow because of more space for fingers to coalesce. This study aimed to determine the representativeness of 2D modelling to simulate 3D variable density flow. 3D homogeneous sand column experiments were conducted at three different water flow velocities with three different bromide tracer solutions mixed with methanol resulting in different density ratios. Both 2D axisymmetric and 3D numerical simulations were performed to reproduce experimental data. Experimental results showed that the magnitude of variable density flow increases with decreasing flow rates and decreasing density ratios. The shapes of the observed breakthrough curves differed significantly from those produced by 2D axisymmetric and 3D simulations. Compared to 2D simulations, the onset of instabilities was delayed but the growth was more pronounced in 3D simulations. Despite this difference, both 2D axisymmetric and 3D models successfully simulated mass recovery with high efficiency (between 77% and 99%). This study indicates that 2D simulations are sufficient to understand integrated features of variable density flow in homogeneous sand column experiments.

  8. Pseudopotentials from electron density

    NASA Astrophysics Data System (ADS)

    Nagy, Á.; Andrejkovics, I.

    1996-05-01

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

  9. Insulating Behavior of Strongly Interacting 2D Electrons in Si MOSFETs

    NASA Astrophysics Data System (ADS)

    Li, Shiqi; Sarachik, M. P.; Kravchenko, S. V.

    Experiments on low disorder strongly-interacting 2D electron systems have shown that in the absence of a magnetic field, the temperature dependence of the resistivity changes from metallic-like to insulating behavior as the electron density ns is reduced below a critical density nc. It has been shown that a metal to insulator transition also occurs in these systems for fixed electron density ns at a critical (density-dependent) in-plane magnetic field which results in complete spin polarization of the electrons. Here we report measurements of the temperature dependence of the resistivity in a high mobility Si-MOSFET sample, where in one case the insulating state is reached by reducing the electron density in zero field, and in the other case it is reached by ''quenching'' the metallic behavior with an in-plane field of 5 T. We find that the resistivity of the insulating state behaves in very similar ways for both cases, exhibiting Efros-Shklovskii variable range hopping regardless of the degree of polarization of the electron spins Work at CCNY is supported by NSF Grant DMR-1309008 and BSF Grant 2012210; for S. K. by NSF Grant DMR-1309337 and BSF Grant 2012210.

  10. Effects of Surface Ligand Density on Lipid-Monolayer-mediated 2D Assembly of Proteins

    SciTech Connect

    Fukuto, M.; Wang, S; Lohr, M; Kewalramani, S; Yang, L

    2010-01-01

    The two-dimensional (2D) assembly of the protein streptavidin on a biotin-bearing lipid monolayer was studied as a function of the surface density of biotin, a protein-binding ligand, by means of in situ X-ray scattering and optical Brewster angle microscopy measurements at the liquid-vapor interface. Although this model system has been studied extensively, the relationship between the surface biotin density and the adsorption, 2D phase behavior, and binding state of streptavidin has yet to be determined quantitatively. The observed equilibrium phase behavior provides direct structural evidence that the 2D crystallization of the lipid-bound streptavidin occurs as a density-driven first-order phase transition. The minimum biotin density required for the 2D crystallization of streptavidin is found to be remarkably close to the density of the ligand-binding sites in the protein crystal. Moreover, both above and below this transition, the observed biotin-density dependence of protein adsorption is well described by the binding of biotin-bearing lipids at both of the two available sites per streptavidin molecule. These results imply that even in the low-density noncrystalline phase, the bound proteins share a common, fixed orientation relative to the surface normal, and that the 2D crystallization occurs when the lateral protein density reaches 50-70% of the 2D crystal density. This study demonstrates that in addition to a well-defined molecular orientation, high lateral packing density is essential to the 2D crystallization of proteins.

  11. Energy-filtered Electron Transport Structures for Low-power Low-noise 2-D Electronics

    PubMed Central

    Pan, Xuan; Qiu, Wanzhi; Skafidas, Efstratios

    2016-01-01

    In addition to cryogenic techniques, energy filtering has the potential to achieve high-performance low-noise 2-D electronic systems. Assemblies based on graphene quantum dots (GQDs) have been demonstrated to exhibit interesting transport properties, including resonant tunnelling. In this paper, we investigate GQDs based structures with the goal of producing energy filters for next generation lower-power lower-noise 2-D electronic systems. We evaluate the electron transport properties of the proposed GQD device structures to demonstrate electron energy filtering and the ability to control the position and magnitude of the energy passband by appropriate device dimensioning. We also show that the signal-to-thermal noise ratio performance of the proposed nanoscale device can be modified according to device geometry. The tunability of two-dimensional GQD structures indicates a promising route for the design of electron energy filters to produce low-power and low-noise electronics. PMID:27796343

  12. Energy-filtered Electron Transport Structures for Low-power Low-noise 2-D Electronics.

    PubMed

    Pan, Xuan; Qiu, Wanzhi; Skafidas, Efstratios

    2016-10-31

    In addition to cryogenic techniques, energy filtering has the potential to achieve high-performance low-noise 2-D electronic systems. Assemblies based on graphene quantum dots (GQDs) have been demonstrated to exhibit interesting transport properties, including resonant tunnelling. In this paper, we investigate GQDs based structures with the goal of producing energy filters for next generation lower-power lower-noise 2-D electronic systems. We evaluate the electron transport properties of the proposed GQD device structures to demonstrate electron energy filtering and the ability to control the position and magnitude of the energy passband by appropriate device dimensioning. We also show that the signal-to-thermal noise ratio performance of the proposed nanoscale device can be modified according to device geometry. The tunability of two-dimensional GQD structures indicates a promising route for the design of electron energy filters to produce low-power and low-noise electronics.

  13. Energy-filtered Electron Transport Structures for Low-power Low-noise 2-D Electronics

    NASA Astrophysics Data System (ADS)

    Pan, Xuan; Qiu, Wanzhi; Skafidas, Efstratios

    2016-10-01

    In addition to cryogenic techniques, energy filtering has the potential to achieve high-performance low-noise 2-D electronic systems. Assemblies based on graphene quantum dots (GQDs) have been demonstrated to exhibit interesting transport properties, including resonant tunnelling. In this paper, we investigate GQDs based structures with the goal of producing energy filters for next generation lower-power lower-noise 2-D electronic systems. We evaluate the electron transport properties of the proposed GQD device structures to demonstrate electron energy filtering and the ability to control the position and magnitude of the energy passband by appropriate device dimensioning. We also show that the signal-to-thermal noise ratio performance of the proposed nanoscale device can be modified according to device geometry. The tunability of two-dimensional GQD structures indicates a promising route for the design of electron energy filters to produce low-power and low-noise electronics.

  14. Digital phase-stepping holographic interferometry in measuring 2-D density fields

    NASA Astrophysics Data System (ADS)

    Lanen, T. A. W. M.; Nebbeling, C.; van Ingen, J. L.

    1990-06-01

    This paper presents a holographic interferometer technique for measuring transparent (2-D or quasi 2-D) density fields. To be able to study the realization of such a field at a certain moment of time, the field is “frozen” on a holographic plate. During the reconstruction of the density field from the hologram the length of the path traversed by the reconstruction beam is diminished in equal steps by applying a computer controlled voltage to a piezo-electric crystal that translates a mirror. Four phase-stepped interferograms resulting from this pathlength variation are digitized and serve as input to an algorithm for computing the phase surface. The method is illustrated by measuring the basically 2-D density field existing around a heated horizontal cylinder in free convection.

  15. Investigating fold structures of 2D materials by quantitative transmission electron microscopy.

    PubMed

    Wang, Zhiwei; Zhang, Zengming; Liu, Wei; Wang, Zhong Lin

    2017-04-01

    We report an approach developed for deriving 3D structural information of 2D membrane folds based on the recently-established quantitative transmission electron microscopy (TEM) in combination with density functional theory (DFT) calculations. Systematic multislice simulations reveal that the membrane folding leads to sufficiently strong electron scattering which enables a precise determination of bending radius. The image contrast depends also on the folding angles of 2D materials due to the variation of projection potentials, which however exerts much smaller effect compared with the bending radii. DFT calculations show that folded edges are typically characteristic of (fractional) nanotubes with the same curvature retained after energy optimization. Owing to the exclusion of Stobbs factor issue, numerical simulations were directly used in comparison with the experimental measurements on an absolute contrast scale, which results in a successful determination of bending radius of folded monolayer MoS2 films. The method should be applicable to characterizing all 2D membranes with 3D folding features.

  16. Calculation of 2D electronic band structure using matrix mechanics

    NASA Astrophysics Data System (ADS)

    Pavelich, R. L.; Marsiglio, F.

    2016-12-01

    We extend previous work, applying elementary matrix mechanics to one-dimensional periodic arrays (to generate energy bands), to two-dimensional arrays. We generate band structures for the square-lattice "2D Kronig-Penney model" (square wells), the "muffin-tin" potential (circular wells), and Gaussian wells. We then apply the method to periodic arrays of more than one atomic site in a unit cell, specifically to the case of materials with hexagonal lattices like graphene. These straightforward extensions of undergraduate-level calculations allow students to readily determine band structures of current research interest.

  17. Electron-Phonon Scattering in Atomically Thin 2D Perovskites.

    PubMed

    Guo, Zhi; Wu, Xiaoxi; Zhu, Tong; Zhu, Xiaoyang; Huang, Libai

    2016-11-22

    Two-dimensional (2D) atomically thin perovskites with strongly bound excitons are highly promising for optoelectronic applications. However, the nature of nonradiative processes that limit the photoluminescence (PL) efficiency remains elusive. Here, we present time-resolved and temperature-dependent PL studies to systematically address the intrinsic exciton relaxation pathways in layered (C4H9NH3)2(CH3NH3)n-1PbnI3n+1 (n = 1, 2, 3) structures. Our results show that scatterings via deformation potential by acoustic and homopolar optical phonons are the main scattering mechanisms for excitons in ultrathin single exfoliated flakes, exhibiting a T(γ) (γ = 1.3 to 1.9) temperature dependence for scattering rates. We attribute the absence of polar optical phonon and defect scattering to efficient screening of Coulomb potential, similar to what has been observed in 3D perovskites. These results establish an understanding of the origins of nonradiative pathways and provide guidelines for optimizing PL efficiencies of atomically thin 2D perovskites.

  18. Unusual dimensionality effects and surface charge density in 2D Mg(OH)2.

    PubMed

    Suslu, Aslihan; Wu, Kedi; Sahin, Hasan; Chen, Bin; Yang, Sijie; Cai, Hui; Aoki, Toshihiro; Horzum, Seyda; Kang, Jun; Peeters, Francois M; Tongay, Sefaattin

    2016-02-05

    We present two-dimensional Mg(OH)2 sheets and their vertical heterojunctions with CVD-MoS2 for the first time as flexible 2D insulators with anomalous lattice vibration and chemical and physical properties. New hydrothermal crystal growth technique enabled isolation of environmentally stable monolayer Mg(OH)2 sheets. Raman spectroscopy and vibrational calculations reveal that the lattice vibrations of Mg(OH)2 have fundamentally different signature peaks and dimensionality effects compared to other 2D material systems known to date. Sub-wavelength electron energy-loss spectroscopy measurements and theoretical calculations show that Mg(OH)2 is a 6 eV direct-gap insulator in 2D, and its optical band gap displays strong band renormalization effects from monolayer to bulk, marking the first experimental confirmation of confinement effects in 2D insulators. Interestingly, 2D-Mg(OH)2 sheets possess rather strong surface polarization (charge) effects which is in contrast to electrically neutral h-BN materials. Using 2D-Mg(OH)2 sheets together with CVD-MoS2 in the vertical stacking shows that a strong change transfer occurs from n-doped CVD-MoS2 sheets to Mg(OH)2, naturally depleting the semiconductor, pushing towards intrinsic doping limit and enhancing overall optical performance of 2D semiconductors. Results not only establish unusual confinement effects in 2D-Mg(OH)2, but also offer novel 2D-insulating material with unique physical, vibrational, and chemical properties for potential applications in flexible optoelectronics.

  19. Unusual dimensionality effects and surface charge density in 2D Mg(OH)2

    PubMed Central

    Suslu, Aslihan; Wu, Kedi; Sahin, Hasan; Chen, Bin; Yang, Sijie; Cai, Hui; Aoki, Toshihiro; Horzum, Seyda; Kang, Jun; Peeters, Francois M.; Tongay, Sefaattin

    2016-01-01

    We present two-dimensional Mg(OH)2 sheets and their vertical heterojunctions with CVD-MoS2 for the first time as flexible 2D insulators with anomalous lattice vibration and chemical and physical properties. New hydrothermal crystal growth technique enabled isolation of environmentally stable monolayer Mg(OH)2 sheets. Raman spectroscopy and vibrational calculations reveal that the lattice vibrations of Mg(OH)2 have fundamentally different signature peaks and dimensionality effects compared to other 2D material systems known to date. Sub-wavelength electron energy-loss spectroscopy measurements and theoretical calculations show that Mg(OH)2 is a 6 eV direct-gap insulator in 2D, and its optical band gap displays strong band renormalization effects from monolayer to bulk, marking the first experimental confirmation of confinement effects in 2D insulators. Interestingly, 2D-Mg(OH)2 sheets possess rather strong surface polarization (charge) effects which is in contrast to electrically neutral h-BN materials. Using 2D-Mg(OH)2 sheets together with CVD-MoS2 in the vertical stacking shows that a strong change transfer occurs from n-doped CVD-MoS2 sheets to Mg(OH)2, naturally depleting the semiconductor, pushing towards intrinsic doping limit and enhancing overall optical performance of 2D semiconductors. Results not only establish unusual confinement effects in 2D-Mg(OH)2, but also offer novel 2D-insulating material with unique physical, vibrational, and chemical properties for potential applications in flexible optoelectronics. PMID:26846617

  20. Optical Signatures from Magnetic 2-D Electron Gases in High Magnetic Fields to 60 Tesla

    SciTech Connect

    Crooker, S.A.; Kikkawa, J.M.; Awschalom, D.D.; Smorchikova, I.P.; Samarth, N.

    1998-11-08

    We present experiments in the 60 Tesla Long-Pulse magnet at the Los Alamos National High Magnetic Field Lab (NHMFL) focusing on the high-field, low temperature photoluminescence (PL) from modulation-doped ZnSe/Zn(Cd,Mn)Se single quantum wells. High-speed charge-coupled array detectors and the long (2 second) duration of the magnet pulse permit continuous acquisition of optical spectra throughout a single magnet shot. High-field PL studies of the magnetic 2D electron gases at temperatures down to 350mK reveal clear intensity oscillations corresponding to integer quantum Hall filling factors, from which we determine the density of the electron gas. At very high magnetic fields, steps in the PL energy are observed which correspond to the partial unlocking of antiferromagnetically bound pairs of Mn2+ spins.

  1. Tuning the packing density of 2D supramolecular self-assemblies at the solid-liquid interface using variable temperature.

    PubMed

    Marie, Camille; Silly, Fabien; Tortech, Ludovic; Müllen, Klaus; Fichou, Denis

    2010-03-23

    The two-dimensional (2D) crystal engineering of molecular architectures on surfaces requires controlling various parameters related respectively to the substrate, the chemical structure of the molecules, and the environmental conditions. We investigate here the influence of temperature on the self-assembly of hexakis(n-dodecyl)-peri-hexabenzocoronene (HBC-C(12)) adsorbed on gold using scanning tunneling microscopy (STM) at the liquid/solid interface. We show that the packing density of 2D self-assembled HBC-C(12) can be precisely tuned by adjusting the substrate temperature. Increasing the temperature progressively over the 20-50 degrees C range induces three irreversible phase transitions and a 3-fold increase of the packing density from 0.111 to 0.356 molecule/nm(2). High-resolution STM images reveal that this 2D packing density increase arises from the stepwise desorption of the n-dodecyl chains from the gold surface. Such temperature-controlled irreversible phase transitions are thus a versatile tool that can then be used to adjust the packing density of highly ordered functional materials in view of applications in organic electronic devices.

  2. Measurements of density field in a swirling flame by 2D spontaneous Raman scattering

    NASA Astrophysics Data System (ADS)

    Sharaborin, D. K.; Dulin, V. M.; Lobasov, A. S.; Markovich, D. M.

    2016-10-01

    This paper presents an evaluation of the density distribution in swirling turbulent premixed flames. The measurement principle is based on registration of spontaneous Raman scattering, when the reacting gas flow is illuminated by a laser sheet. Evaluation of 1D and 2D distributions of density and temperature were performed in a laminar Bunsen flame as a test case for validation of experimental technique. Time-averaged 2D images of the scattering during rovibronic transitions of nitrogen molecules were captured in turbulent premixed low-swirl and high-swirl (Re = 5000) propane-air flames in a wide range of equivalence ratio. The obtained density fields are useful for better understanding of heat and mass transfer in swirl-stabilized turbulent flames and for validation of CFD results.

  3. Enhanced energy density of a supercapacitor using 2D CoMoO4 ultrathin nanosheets and asymmetric configuration

    NASA Astrophysics Data System (ADS)

    Zhao, Yunxuan; Liu, Zailun; Gu, Wenhao; Zhai, Yifei; Teng, Yiran; Teng, Fei

    2016-12-01

    Developing a high energy density micro-supercapacitor still remains a big challenge. In this paper, a two-dimensional (2D) CoMoO4 ultrathin nanosheet (NS)-based asymmetric supercapacitor (ASC) is fabricated. It is found that the CoMoO4 NS electrode processes a high specific capacitance (153.2 F g-1) at a current density of 1 mA cm-2 and this ASC can deliver an energy density of 0.313 mWh cm-3 at a power density of 80 mW cm-3, which is higher than that reported in the literature. Moreover, the ASC can drive a light emitting diode (3 mm diameter, red) to work for 6 min after being charged for 10 s. After 5000 cycles, 77.37% of capacitance still remains. We maintain that the ultrathin thickness can significantly shorten the diffusion paths for both electrons and ions, thus leading to fast electron transport and ion diffusion rates. Our results demonstrate that 2D ultrathin NSs could be a new, promising candidate for energy conversion/storage devices, which could offer more accommodating sites for ion intercalation.

  4. 2D quasi-ordered nitrogen-enriched porous carbon nanohybrids for high energy density supercapacitors

    NASA Astrophysics Data System (ADS)

    Kan, Kan; Wang, Lei; Yu, Peng; Jiang, Baojiang; Shi, Keying; Fu, Honggang

    2016-05-01

    Two-dimensional (2D) quasi-ordered nitrogen-enriched porous carbon (QNPC) nanohybrids, with the characteristics of an ultrathin graphite nanosheet framework and thick quasi-ordered nitrogen-doped carbon cladding with a porous texture, have been synthesized via an in situ polymerization assembly method. In the synthesis, the expandable graphite (EG) is enlarged by an intermittent microwave method, and then aniline monomers are intercalated into the interlayers of the expanded EG with the assistance of a vacuum. Subsequently, the intercalated aniline monomers could assemble on the interlayer surface of the expanded EG, accompanied by the in situ polymerization from aniline monomers to polyaniline. Meanwhile, the expanded EG could be exfoliated to graphite nanosheets. By subsequent pyrolysis and activation processes, the QNPC nanohybrids could be prepared. As supercapacitor electrodes, a typical QNPC12-700 sample derived from the precursor containing an EG content of 12%, with a high level of nitrogen doping of 5.22 at%, offers a high specific capacitance of 305.7 F g-1 (1 A g-1), excellent rate-capability and long-term stability. Notably, an extremely high energy density of 95.7 Wh kg-1 at a power density of 449.7 W kg-1 in an ionic liquid electrolyte can be achieved. The unique structural features and moderate heteroatom doping of the QNPC nanohybrids combines electrochemical double layer and faradaic capacitance contributions, which make these nanohybrids ideal candidates as electrode materials for high-performance energy storage devices.Two-dimensional (2D) quasi-ordered nitrogen-enriched porous carbon (QNPC) nanohybrids, with the characteristics of an ultrathin graphite nanosheet framework and thick quasi-ordered nitrogen-doped carbon cladding with a porous texture, have been synthesized via an in situ polymerization assembly method. In the synthesis, the expandable graphite (EG) is enlarged by an intermittent microwave method, and then aniline monomers are

  5. Breast density measurement: 3D cone beam computed tomography (CBCT) images versus 2D digital mammograms

    NASA Astrophysics Data System (ADS)

    Han, Tao; Lai, Chao-Jen; Chen, Lingyun; Liu, Xinming; Shen, Youtao; Zhong, Yuncheng; Ge, Shuaiping; Yi, Ying; Wang, Tianpeng; Yang, Wei T.; Shaw, Chris C.

    2009-02-01

    Breast density has been recognized as one of the major risk factors for breast cancer. However, breast density is currently estimated using mammograms which are intrinsically 2D in nature and cannot accurately represent the real breast anatomy. In this study, a novel technique for measuring breast density based on the segmentation of 3D cone beam CT (CBCT) images was developed and the results were compared to those obtained from 2D digital mammograms. 16 mastectomy breast specimens were imaged with a bench top flat-panel based CBCT system. The reconstructed 3D CT images were corrected for the cupping artifacts and then filtered to reduce the noise level, followed by using threshold-based segmentation to separate the dense tissue from the adipose tissue. For each breast specimen, volumes of the dense tissue structures and the entire breast were computed and used to calculate the volumetric breast density. BI-RADS categories were derived from the measured breast densities and compared with those estimated from conventional digital mammograms. The results show that in 10 of 16 cases the BI-RADS categories derived from the CBCT images were lower than those derived from the mammograms by one category. Thus, breasts considered as dense in mammographic examinations may not be considered as dense with the CBCT images. This result indicates that the relation between breast cancer risk and true (volumetric) breast density needs to be further investigated.

  6. Effects of in-plane magnetic field on the transport of 2D electron vortices in non-uniform plasmas

    NASA Astrophysics Data System (ADS)

    Angus, Justin; Richardson, Andrew; Schumer, Joseph; Pulsed Power Team

    2015-11-01

    The formation of electron vortices in current-carrying plasmas is observed in 2D particle-in-cell (PIC) simulations of the plasma-opening switch. In the presence of a background density gradient in Cartesian systems, vortices drift in the direction found by crossing the magnetic field with the background density gradient as a result of the Hall effect. However, most of the 2D simulations where electron vortices are seen and studied only allow for in-plane currents and thus only an out-of-plane magnetic field. Here we present results of numerical simulations of 2D, seeded electron vortices in an inhomogeneous background using the generalized 2D electron-magneto-hydrodynamic model that additionally allows for in-plane components of the magnetic field. By seeding vortices with a varying axial component of the velocity field, so that the vortex becomes a corkscrew, it is found that a pitch angle of around 20 degrees is sufficient to completely prevent the vortex from propagating due to the Hall effect for typical plasma parameters. This work is supported by the NRL Base Program.

  7. Momentum density and 2D-ACAR experiments in YBa sub 2 Cu sub 3 O sub 7

    SciTech Connect

    Bansil, A. . Dept. of Physics); Smedskjaer, L.C. )

    1991-12-01

    We compare measured c-projected 2D-ACAR spectrum from an untwinned single crystal of YBa{sub 2}Cu{sub 3}O{sub 7-x} with the corresponding band theory predictions. Many different one-dimensional sections through the spectrum are considered, together with the characteristic amplitudes and shapes of the spectral anisotropies, with a focus on identifying and delineating Fermi surface signatures in the spectra. The positron data clearly show several distinct features of the ridge Fermi surface predicted by the band theory, and give an indication of the pillbox Fermi sheet. The good agreement between theory and experiment suggests that the band theory framework based on the local density approximation (LDA) is capable of providing a substantially correct description of the momentum density and Fermiology of the normal ground state electronic structure of YBa{sub 2}Cu{sub 3}O{sub 7}.

  8. Tunneling Between 2D Electrons and Holes in an In-plane Magnetic Field

    NASA Astrophysics Data System (ADS)

    Lin, Y.; Mendez, E. E.; Magno, R.; Bennett, B. R.

    2002-03-01

    We have studied the vertical transport properties of GaSb/AlSb/InAs/AlSb/GaSb (system A) and InAs/AlSb/GaSb/AlSb/InAs (system B) heterostructures in a magnetic field (B<20T) parallel to the interfaces. In these systems, electrons and holes accumulate in the InAs and GaSb regions, respectively, and tunneling between the two gases gives rise to a current-voltage (I-V) characteristic that exhibits negative differential conductance even at T=300K. In both cases, the zero-bias, low-T (1.7K) magnetoconductance showed the signature of tunneling between 2D gases with different carrier densities even though in system A, the holes are barely confined. In contrast, the dependence of the I-V characteristics on magnetic field was quite different. In system A, the observed shift of the peak voltage with field is explained by simple ground-state dispersion curves for electrons and holes. However, this picture cannot explain the appearance (above 5.5T) and field dependence of a secondary peak in system B, or of additional, weaker field-induced features. Their origin may lie in the complexities of highly confined hole states in the central GaSb quantum well.

  9. 2D O+ and H+ density profile in the magnetospheric equatorial plane

    NASA Astrophysics Data System (ADS)

    Maggiolo, R.; Kistler, L. M.

    2012-04-01

    The CODIF instrument onboard the Cluster spacecraft measures the magnetospheric O+ and H+ density since more than one decade. We map these densities along magnetic field lines to produce 2D maps of the O+ and H+ density in the magnetospheric equatorial plane for various geomagnetic conditions (represented by the Kp index) and solar activity (represented by the F10.7 index). We validate the mapping technique by comparing it with in-situ observations from Cluster in the 15-19 RE plasmasheet (Mouikis et al. 2010) and from GOES near geostationary orbit (Young et al. 1982). These maps reveal the large scale spatial distribution of O+ and H+ ions in the plasmasheet. They confirm that the proportion of O+ ions is higher at low geocentric distances and that increasing geomagnetic and solar activity enhance the O+/H+ density ratio. In the mid/far tail this ratio is mainly driven by geomagnetic activity while in the near Earth regions it strongly depends on the solar activity. These results suggest that there is a significant entry of O+ ions in the plasmasheet at low geocentric distance and that the O+ ion content in the mid/far tail is mainly driven by the O+ transport and energization while in the near Earth regions it is rather linked to ionospheric variations due to changes in the solar EUV flux.

  10. Nano-scale electronic and optoelectronic devices based on 2D crystals

    NASA Astrophysics Data System (ADS)

    Zhu, Wenjuan

    In the last few years, the research community has been rapidly growing interests in two-dimensional (2D) crystals and their applications. The properties of these 2D crystals are diverse -- ranging from semi-metal such as graphene, semiconductors such as MoS2, to insulator such as boron nitride. These 2D crystals have many unique properties as compared to their bulk counterparts due to their reduced dimensionality and symmetry. A key difference is the band structures, which lead to distinct electronic and photonic properties. The 2D nature of the material also plays an important role in defining their exceptional properties of mechanical strength, surface sensitivity, thermal conductivity, tunable band-gap and their interaction with light. These unique properties of 2D crystals open up a broad territory of applications in computing, communication, energy, and medicine. In this talk, I will present our work on understanding the electrical properties of graphene and MoS2, in particular current transport and band-gap engineering in graphene, interface between gate dielectrics and graphene, and gap states in MoS2. I will also present our work on the nano-scale electronic devices (RF and logic devices) and photonic devices (plasmonic devices and photo-detectors) based on these 2D crystals.

  11. Control of electronic properties of 2D carbides (MXenes) by manipulating their transition metal layers

    DOE PAGES

    Anasori, Babak; Shi, Chenyang; Moon, Eun Ju; ...

    2016-02-24

    In this paper, a transition from metallic to semiconducting-like behavior has been demonstrated in two-dimensional (2D) transition metal carbides by replacing titanium with molybdenum in the outer transition metal (M) layers of M3C2 and M4C3 MXenes. The MXene structure consists of n + 1 layers of near-close packed M layers with C or N occupying the octahedral site between them in an [MX]nM arrangement. Recently, two new families of ordered 2D double transition metal carbides MXenes were discovered, M'2M"C2 and M'2M"2C3 – where M' and M" are two different early transition metals, such as Mo, Cr, Ta, Nb, V, andmore » Ti. The M' atoms only occupy the outer layers and the M" atoms fill the middle layers. In other words, M' atomic layers sandwich the middle M"–C layers. Using X-ray atomic pair distribution function (PDF) analysis on Mo2TiC2 and Mo2Ti2C3 MXenes, we present the first quantitative analysis of structures of these novel materials and experimentally confirm that Mo atoms are in the outer layers of the [MC]nM structures. The electronic properties of these Mo-containing MXenes are compared with their Ti3C2 counterparts, and are found to be no longer metallic-like conductors; instead the resistance increases mildly with decreasing temperatures. Density functional theory (DFT) calculations suggest that OH terminated Mo–Ti MXenes are semiconductors with narrow band gaps. Measurements of the temperature dependencies of conductivities and magnetoresistances have confirmed that Mo2TiC2Tx exhibits semiconductor-like transport behavior, while Ti3C2Tx is a metal. Finally, this finding opens new avenues for the control of the electronic and optical applications of MXenes and for exploring new applications, in which semiconducting properties are required.« less

  12. Control of electronic properties of 2D carbides (MXenes) by manipulating their transition metal layers

    SciTech Connect

    Anasori, Babak; Shi, Chenyang; Moon, Eun Ju; Xie, Yu; Voigt, Cooper A.; Kent, Paul R. C.; May, Steven J.; Billinge, Simon J. L.; Barsoum, Michel W.; Gogotsi, Yury

    2016-02-24

    In this paper, a transition from metallic to semiconducting-like behavior has been demonstrated in two-dimensional (2D) transition metal carbides by replacing titanium with molybdenum in the outer transition metal (M) layers of M3C2 and M4C3 MXenes. The MXene structure consists of n + 1 layers of near-close packed M layers with C or N occupying the octahedral site between them in an [MX]nM arrangement. Recently, two new families of ordered 2D double transition metal carbides MXenes were discovered, M'2M"C2 and M'2M"2C3 – where M' and M" are two different early transition metals, such as Mo, Cr, Ta, Nb, V, and Ti. The M' atoms only occupy the outer layers and the M" atoms fill the middle layers. In other words, M' atomic layers sandwich the middle M"–C layers. Using X-ray atomic pair distribution function (PDF) analysis on Mo2TiC2 and Mo2Ti2C3 MXenes, we present the first quantitative analysis of structures of these novel materials and experimentally confirm that Mo atoms are in the outer layers of the [MC]nM structures. The electronic properties of these Mo-containing MXenes are compared with their Ti3C2 counterparts, and are found to be no longer metallic-like conductors; instead the resistance increases mildly with decreasing temperatures. Density functional theory (DFT) calculations suggest that OH terminated Mo–Ti MXenes are semiconductors with narrow band gaps. Measurements of the temperature dependencies of conductivities and magnetoresistances have confirmed that Mo2TiC2Tx exhibits semiconductor-like transport behavior, while Ti3C2Tx is a metal. Finally, this finding opens new avenues for the control of the electronic and optical applications of MXenes and for exploring new applications, in

  13. Transverse instability of electron plasma waves study via direct 2 +2D Vlasov simulations

    NASA Astrophysics Data System (ADS)

    Silantyev, Denis; Lushnikov, Pavel; Rose, Harvey

    2016-10-01

    Transverse instability can be viewed as initial stage of electron plasma waves (EPWs) filamentation. We performed direct 2 +2D Vlasov-Poisson simulations of collisionless plasma to systematically study the growth rates of oblique modes of finite-amplitude EPW depending on its amplitude, wavenumber, angle of the oblique mode wavevector relative to the EPW's wavevector and the configuration of the trapped electrons in the EPW. Simulation results are compared to the predictions of theoretical models.

  14. Destabilization of 2D magnetic current sheets by resonance with bouncing electron - a new theory

    NASA Astrophysics Data System (ADS)

    Fruit, Gabriel; Louarn, Philippe; Tur, Anatoly

    2016-07-01

    In the general context of understanding the possible destabilization of the magnetotail before a substorm, we propose a kinetic model for electromagnetic instabilities in resonant interaction with trapped bouncing electrons. The geometry is clearly 2D and uses Harris sheet profile. Fruit et al. 2013 already used this model to investigate the possibilities of electrostatic instabilities. Tur et al. 2014 generalizes the model for full electromagnetic perturbations. Starting with a modified Harris sheet as equilibrium state, the linearized gyrokinetic Vlasov equation is solved for electromagnetic fluctuations with period of the order of the electron bounce period (a few seconds). The particle motion is restricted to its first Fourier component along the magnetic field and this allows the complete time integration of the non local perturbed distribution functions. The dispersion relation for electromagnetic modes is finally obtained through the quasi neutrality condition and the Ampere's law for the current density. The present talk will focus on the main results of this theory. The electrostatic version of the model may be applied to the near-Earth environment (8-12 R_{E}) where beta is rather low. It is showed that inclusion of bouncing electron motion may enhance strongly the growth rate of the classical drift wave instability. This model could thus explain the generation of strong parallel electric fields in the ionosphere and the formation of aurora beads with wavelength of a few hundreds of km. In the electromagnetic version, it is found that for mildly stretched current sheet (B_{z} > 0.1 B _{lobes}) undamped modes oscillate at typical electron bounce frequency with wavelength of the order of the plasma sheet thickness. As the stretching of the plasma sheet becomes more intense, the frequency of these normal modes decreases and beyond a certain threshold in B_{z}/B _{lobes}, the mode becomes explosive (pure imaginary frequency) with typical growing rate of a few

  15. Saturn's ionosphere - Inferred electron densities

    NASA Astrophysics Data System (ADS)

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

    1984-04-01

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

  16. Saturn's ionosphere: Inferred electron densities

    NASA Technical Reports Server (NTRS)

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

    1983-01-01

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

  17. 2-D simulation of a waveguide free electron laser having a helical undulator

    SciTech Connect

    Kim, S.K.; Lee, B.C.; Jeong, Y.U.

    1995-12-31

    We have developed a 2-D simulation code for the calculation of output power from an FEL oscillator having a helical undulator and a cylindrical waveguide. In the simulation, the current and the energy of the electron beam is 2 A and 400 keV, respectively. The parameters of the permanent-magnet helical undulator are : period = 32 mm, number of periods = 20, magnetic field = 1.3 kG. The gain per pass is 10 and the output power is calculated to be higher than 10 kW The results of the 2-D simulation are compared with those of 1-D simulation.

  18. Surface effects on electronic transport of 2D chalcogenide thin films and nanostructures.

    PubMed

    Jung, Yeonwoong; Shen, Jie; Cha, Judy J

    2014-01-01

    The renewed interest in two-dimensional materials, particularly transition metal dichalcogenides, has been explosive, evident in a number of review and perspective articles on the topic. Our ability to synthesize and study these 2D materials down to a single layer and to stack them to form van der Waals heterostructures opens up a wide range of possibilities from fundamental studies of nanoscale effects to future electronic and optoelectronic applications. Bottom-up and top-down synthesis and basic electronic properties of 2D chalcogenide materials have been covered in great detail elsewhere. Here, we bring attention to more subtle effects: how the environmental, surface, and crystal defects modify the electronic band structure and transport properties of 2D chalcogenide nanomaterials. Surface effects such as surface oxidation and substrate influence may dominate the overall transport properties, particularly in single layer chalcogenide devices. Thus, understanding such effects is critical for successful applications based on these materials. In this review, we discuss two classes of chalcogenides - Bi-based and Mo-based chalcogenides. The first are topological insulators with unique surface electronic properties and the second are promising for flexible optoelectronic applications as well as hydrogen evolution catalytic reactions.

  19. Spin relaxations in 2D electron gas determined by the memory in the carrier dynamics.

    NASA Astrophysics Data System (ADS)

    Sherman, Eugene; Glazov, Mikhail

    2007-03-01

    The effects of long memory, in carrier dynamics in a magnetic field, on spin polarization evolution in 2D electron gas are investigated qualitatively and quantitatively. As examples we consider (i) systems with random Rashba-type SO coupling and (ii) quantum wells with rigid short-range scatterers (antidotes) and regular Dresselhaus SO coupling. In both cases the spin dynamics is strongly non-Markovian. In the system with the random SO coupling the time dependence of the spin polarization shows Gaussian rather than exponential behavior with the cusps corresponding to the electron revolutions. The relaxation speeds up with the increase of the magnetic field. In the system with antidotes scattering, the spin polarization shows a long-tail behavior with the relaxation rate determined by inelastic electron-phonon and electron-electron collisions and demonstrates unusual field dependence.

  20. 2D electron temperature diagnostic using soft x-ray imaging technique

    SciTech Connect

    Nishimura, K. Sanpei, A. Tanaka, H.; Ishii, G.; Kodera, R.; Ueba, R.; Himura, H.; Masamune, S.; Ohdachi, S.; Mizuguchi, N.

    2014-03-15

    We have developed a two-dimensional (2D) electron temperature (T{sub e}) diagnostic system for thermal structure studies in a low-aspect-ratio reversed field pinch (RFP). The system consists of a soft x-ray (SXR) camera with two pin holes for two-kinds of absorber foils, combined with a high-speed camera. Two SXR images with almost the same viewing area are formed through different absorber foils on a single micro-channel plate (MCP). A 2D T{sub e} image can then be obtained by calculating the intensity ratio for each element of the images. We have succeeded in distinguishing T{sub e} image in quasi-single helicity (QSH) from that in multi-helicity (MH) RFP states, where the former is characterized by concentrated magnetic fluctuation spectrum and the latter, by broad spectrum of edge magnetic fluctuations.

  1. Nuclear cusps in the HSF electron density

    NASA Astrophysics Data System (ADS)

    Cioslowski, Jerzy; Challacombe, Matt

    1994-07-01

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

  2. Structural, electronic transport and optical properties of functionalized quasi-2D TiC2 from first-principles calculations

    NASA Astrophysics Data System (ADS)

    Berdiyorov, G. R.; Madjet, M. E.

    2016-12-01

    Using the first-principles density functional theory, we study the effect of surface functionalization on the structural and optoelectronic properties of recently proposed quasi-two-dimensional material TiC2 [T. Zhao, S. Zhang, Y. Guo, Q. Wang, Nanoscale 8 (2016) 233]. Hydrogenated, fluorinated, oxidized and hydroxylated surfaces are considered. Significant changes in the lattice parameters and partial charge distributions are found due to the surface termination. Direct contribution of the adatoms to the system density of states near the Fermi level is obtained, which has a major impact on the optoelectronic properties of the material. For example, surface termination results in larger absorption in the visible range of the spectrum. The electronic transport is also affected by the surface functionalization: the current in the system can be reduced by an order of magnitude. These findings indicate the importance of the effects of surface passivation on optoelectronic properties of this quasi-2D material.

  3. Electron Microscopy: From 2D to 3D Images with Special Reference to Muscle

    PubMed Central

    2015-01-01

    This is a brief and necessarily very sketchy presentation of the evolution in electron microscopy (EM) imaging that was driven by the necessity of extracting 3-D views from the essentially 2-D images produced by the electron beam. The lens design of standard transmission electron microscope has not been greatly altered since its inception. However, technical advances in specimen preparation, image collection and analysis gradually induced an astounding progression over a period of about 50 years. From the early images that redefined tissues, cell and cell organelles at the sub-micron level, to the current nano-resolution reconstructions of organelles and proteins the step is very large. The review is written by an investigator who has followed the field for many years, but often from the sidelines, and with great wonder. Her interest in muscle ultrastructure colors the writing. More specific detailed reviews are presented in this issue. PMID:26913146

  4. 2D particle-in-cell simulations of the electron drift instability and associated anomalous electron transport in Hall-effect thrusters

    NASA Astrophysics Data System (ADS)

    Croes, Vivien; Lafleur, Trevor; Bonaventura, Zdeněk; Bourdon, Anne; Chabert, Pascal

    2017-03-01

    In this work we study the electron drift instability in Hall-effect thrusters (HETs) using a 2D electrostatic particle-in-cell (PIC) simulation. The simulation is configured with a Cartesian coordinate system modeling the radial-azimuthal (r{--}θ ) plane for large radius thrusters. A magnetic field, {{B}}0, is aligned along the Oy axis (r direction), a constant applied electric field, {{E}}0, along the Oz axis (perpendicular to the simulation plane), and the {{E}}0× {{B}}0 direction is along the Ox axis (θ direction). Although electron transport can be well described by electron–neutral collisions for low plasma densities, at high densities (similar to those in typical HETs), a strong instability is observed that enhances the electron cross-field mobility; even in the absence of electron–neutral collisions. The instability generates high frequency (of the order of MHz) and short wavelength (of the order of mm) fluctuations in both the azimuthal electric field and charged particle densities, and propagates in the {{E}}0× {{B}}0 direction with a velocity close to the ion sound speed. The correlation between the electric field and density fluctuations (which leads to an enhanced electron–ion friction force) is investigated and shown to be directly responsible for the increased electron transport. Results are compared with a recent kinetic theory, showing good agreement with the instability properties and electron transport.

  5. Optical and Electronic Properties of 2D Graphitic Carbon-Nitride and Carbon Enriched Alloys

    NASA Astrophysics Data System (ADS)

    Therrien, Joel; Li, Yancen; Schmidt, Daniel; Masaki, Michael; Syed, Abdulmannan

    The two-dimensional form of graphitic carbon-nitride (gCN) has been successfully synthesized using a simple CVD process. In it's pure form, the carbon to nitrogen ratio is 0.75. By adding a carbon bearing gas to the growth environment, the C/N ratio can be increased, ultimately reaching the pure carbon form: graphene. Unlike attempts at making a 2D alloy system out of BCN, the CN system does not suffer from phase segregation and thus forms a homogeneous alloy. The synthesis approach and electronic and optical properties will be presented for the pure gCN and a selection of alloy compositions.

  6. The separation of overlapping transitions in β-carotene with broadband 2D electronic spectroscopy

    NASA Astrophysics Data System (ADS)

    Calhoun, Tessa R.; Davis, Jeffrey A.; Graham, Matthew W.; Fleming, Graham R.

    2012-01-01

    Broadband 2D electronic spectroscopy is applied to β-carotene, revealing new insight into the excited state dynamics of carotenoids by exploring the full energetic range encompassing the S0→S2 and S1→S1n transitions at 77 K. Multiple signals are observed in the regime associated with the proposed S∗ state and isolated through separate analysis of rephasing and nonrephasing contributions. Peaks in rephasing pathways display dynamic lineshapes characteristic of coupling to high energy vibrational modes, and simulation with a simple model supports their assignment to impulsive stimulated Raman scattering. A signal persisting beyond 10 ps in the nonrephasing spectra is still under investigation.

  7. Ferroelectricity, Antiferroelectricity and Ultrathin 2D Electron/Hole Gas in Multifunctional Monolayer MXene.

    PubMed

    Chandrasekaran, Anand; Mishra, Avanish; Singh, Abhishek Kumar

    2017-04-04

    Presence of ferroelectric polarization in 2D materials is extremely rare due to the effect of the surface depolarizing field. Here, we use first-principles calculations to show the largest out-of-plane polarization observed in a monolayer in functionalized MXenes (Sc2CO2). The switching of polarization in this new class of ferroelectric materials occurs through an previously unknown intermediate antiferroelectric structure thus establishing three states for applications in low-dimensional non-volatile memory. We show that the armchair domain-interface acts as an 1D metallic nanowire separating two insulating domains. In the case of the van-der-Waals bilayer we observe, interestingly, the presence of an ultrathin 2D electron/hole gas (2DEG) on the top/bottom layers, respectively, due to the redistrubution of charge carriers. The 2DEG is non-degenerate due to spin-orbit-coupling, thus paving the way for spin-orbitronic devices. The coexistence of ferroelectricity, antiferroelectricity, 2DEG and spin-orbit splitting in this system suggests that such 2D polar materials possess high potential for device application in a multitude of fields ranging from nanoelectronics to photovoltaics.

  8. Hall-Effect Thruster Simulations with 2-D Electron Transport and Hydrodynamic Ions

    NASA Technical Reports Server (NTRS)

    Mikellides, Ioannis G.; Katz, Ira; Hofer, Richard H.; Goebel, Dan M.

    2009-01-01

    A computational approach that has been used extensively in the last two decades for Hall thruster simulations is to solve a diffusion equation and energy conservation law for the electrons in a direction that is perpendicular to the magnetic field, and use discrete-particle methods for the heavy species. This "hybrid" approach has allowed for the capture of bulk plasma phenomena inside these thrusters within reasonable computational times. Regions of the thruster with complex magnetic field arrangements (such as those near eroded walls and magnets) and/or reduced Hall parameter (such as those near the anode and the cathode plume) challenge the validity of the quasi-one-dimensional assumption for the electrons. This paper reports on the development of a computer code that solves numerically the 2-D axisymmetric vector form of Ohm's law, with no assumptions regarding the rate of electron transport in the parallel and perpendicular directions. The numerical challenges related to the large disparity of the transport coefficients in the two directions are met by solving the equations in a computational mesh that is aligned with the magnetic field. The fully-2D approach allows for a large physical domain that extends more than five times the thruster channel length in the axial direction, and encompasses the cathode boundary. Ions are treated as an isothermal, cold (relative to the electrons) fluid, accounting for charge-exchange and multiple-ionization collisions in the momentum equations. A first series of simulations of two Hall thrusters, namely the BPT-4000 and a 6-kW laboratory thruster, quantifies the significance of ion diffusion in the anode region and the importance of the extended physical domain on studies related to the impact of the transport coefficients on the electron flow field.

  9. Dosimetric verification of gated delivery of electron beams using a 2D ion chamber array.

    PubMed

    Yoganathan, S A; Das, K J Maria; Raj, D Gowtham; Kumar, Shaleen

    2015-01-01

    The purpose of this study was to compare the dosimetric characteristics; such as beam output, symmetry and flatness between gated and non-gated electron beams. Dosimetric verification of gated delivery was carried for all electron beams available on Varian CL 2100CD medical linear accelerator. Measurements were conducted for three dose rates (100 MU/min, 300 MU/min and 600 MU/min) and two respiratory motions (breathing period of 4s and 8s). Real-time position management (RPM) system was used for the gated deliveries. Flatness and symmetry values were measured using Imatrixx 2D ion chamber array device and the beam output was measured using plane parallel ion chamber. These detector systems were placed over QUASAR motion platform which was programmed to simulate the respiratory motion of target. The dosimetric characteristics of gated deliveries were compared with non-gated deliveries. The flatness and symmetry of all the evaluated electron energies did not differ by more than 0.7 % with respect to corresponding non-gated deliveries. The beam output variation of gated electron beam was less than 0.6 % for all electron energies except for 16 MeV (1.4 %). Based on the results of this study, it can be concluded that Varian CL2100 CD is well suitable for gated delivery of non-dynamic electron beams.

  10. Design of the 2D electron cyclotron emission imaging instrument for the J-TEXT tokamak

    NASA Astrophysics Data System (ADS)

    Pan, X. M.; Yang, Z. J.; Ma, X. D.; Zhu, Y. L.; Luhmann, N. C.; Domier, C. W.; Ruan, B. W.; Zhuang, G.

    2016-11-01

    A new 2D Electron Cyclotron Emission Imaging (ECEI) diagnostic is being developed for the J-TEXT tokamak. It will provide the 2D electron temperature information with high spatial, temporal, and temperature resolution. The new ECEI instrument is being designed to support fundamental physics investigations on J-TEXT including MHD, disruption prediction, and energy transport. The diagnostic contains two dual dipole antenna arrays corresponding to F band (90-140 GHz) and W band (75-110 GHz), respectively, and comprises a total of 256 channels. The system can observe the same magnetic surface at both the high field side and low field side simultaneously. An advanced optical system has been designed which permits the two arrays to focus on a wide continuous region or two radially separate regions with high imaging spatial resolution. It also incorporates excellent field curvature correction with field curvature adjustment lenses. An overview of the diagnostic and the technical progress including the new remote control technique are presented.

  11. Design of the 2D electron cyclotron emission imaging instrument for the J-TEXT tokamak.

    PubMed

    Pan, X M; Yang, Z J; Ma, X D; Zhu, Y L; Luhmann, N C; Domier, C W; Ruan, B W; Zhuang, G

    2016-11-01

    A new 2D Electron Cyclotron Emission Imaging (ECEI) diagnostic is being developed for the J-TEXT tokamak. It will provide the 2D electron temperature information with high spatial, temporal, and temperature resolution. The new ECEI instrument is being designed to support fundamental physics investigations on J-TEXT including MHD, disruption prediction, and energy transport. The diagnostic contains two dual dipole antenna arrays corresponding to F band (90-140 GHz) and W band (75-110 GHz), respectively, and comprises a total of 256 channels. The system can observe the same magnetic surface at both the high field side and low field side simultaneously. An advanced optical system has been designed which permits the two arrays to focus on a wide continuous region or two radially separate regions with high imaging spatial resolution. It also incorporates excellent field curvature correction with field curvature adjustment lenses. An overview of the diagnostic and the technical progress including the new remote control technique are presented.

  12. Enhancement of low-energy electron emission in 2D radioactive films.

    PubMed

    Pronschinske, Alex; Pedevilla, Philipp; Murphy, Colin J; Lewis, Emily A; Lucci, Felicia R; Brown, Garth; Pappas, George; Michaelides, Angelos; Sykes, E Charles H

    2015-09-01

    High-energy radiation has been used for decades; however, the role of low-energy electrons created during irradiation has only recently begun to be appreciated. Low-energy electrons are the most important component of radiation damage in biological environments because they have subcellular ranges, interact destructively with chemical bonds, and are the most abundant product of ionizing particles in tissue. However, methods for generating them locally without external stimulation do not exist. Here, we synthesize one-atom-thick films of the radioactive isotope (125)I on gold that are stable under ambient conditions. Scanning tunnelling microscopy, supported by electronic structure simulations, allows us to directly observe nuclear transmutation of individual (125)I atoms into (125)Te, and explain the surprising stability of the 2D film as it underwent radioactive decay. The metal interface geometry induces a 600% amplification of low-energy electron emission (<10 eV; ref. ) compared with atomic (125)I. This enhancement of biologically active low-energy electrons might offer a new direction for highly targeted nanoparticle therapies.

  13. Enhancement of low-energy electron emission in 2D radioactive films

    NASA Astrophysics Data System (ADS)

    Pronschinske, Alex; Pedevilla, Philipp; Murphy, Colin J.; Lewis, Emily A.; Lucci, Felicia R.; Brown, Garth; Pappas, George; Michaelides, Angelos; Sykes, E. Charles H.

    2015-09-01

    High-energy radiation has been used for decades; however, the role of low-energy electrons created during irradiation has only recently begun to be appreciated. Low-energy electrons are the most important component of radiation damage in biological environments because they have subcellular ranges, interact destructively with chemical bonds, and are the most abundant product of ionizing particles in tissue. However, methods for generating them locally without external stimulation do not exist. Here, we synthesize one-atom-thick films of the radioactive isotope 125I on gold that are stable under ambient conditions. Scanning tunnelling microscopy, supported by electronic structure simulations, allows us to directly observe nuclear transmutation of individual 125I atoms into 125Te, and explain the surprising stability of the 2D film as it underwent radioactive decay. The metal interface geometry induces a 600% amplification of low-energy electron emission (<10 eV; ref. ) compared with atomic 125I. This enhancement of biologically active low-energy electrons might offer a new direction for highly targeted nanoparticle therapies.

  14. Influence of electron-neutral elastic collisions on the instability of an ion-contaminated cylindrical electron cloud: 2D3V PIC-with-MCC simulations

    NASA Astrophysics Data System (ADS)

    Sengupta, M.; Ganesh, R.

    2016-10-01

    This paper is a simulation based investigation of the effect of elastic collisions and effectively elastic-like excitation collisions between electrons and background neutrals on the dynamics of a cylindrically trapped electron cloud that also has an ion contaminant mixed in it. A cross section of the trapped non neutral cloud composed of electrons mixed uniformly with a fractional population of ions is loaded on a 2D PIC grid with the plasma in a state of unstable equilibrium due to differential rotation between the electron and the ion component. The electrons are also loaded with an axial velocity component, vz, that mimics their bouncing motion between the electrostatic end plugs of a Penning-Malmberg trap. This vz loading facilitates 3D elastic and excitation collisions of the electrons with background neutrals under a MCC scheme. In the present set of numerical experiments, the electrons do not ionize the neutrals. This helps in separating out only the effect of non-ionizing collisions of electrons on the dynamics of the cloud. Simulations reveal that these non-ionizing collisions indirectly influence the ensuing collisionless ion resonance instability of the contaminated electron cloud by a feedback process. The collisional relaxation reduces the average density of the electron cloud and thereby increases the fractional density of the ions mixed in it. The dynamically changing electron density and fractional density of ions feed back on the ongoing ion-resonance (two-stream) instability between the two components of the nonneutral cloud and produce deviations in the paths of progression of the instability that are uncorrelated at different background gas pressures. Effects of the collisions on the instability are evident from alteration in the growth rate and energetics of the instability caused by the presence of background neutrals as compared to a vacuum background. Further in order to understand if the non-ionizing collisions can independently be a cause

  15. Ternary recombination of H3+, H2D+, HD2+, and D3+ with electrons in He/Ar/H2/D2 gas mixtures

    NASA Astrophysics Data System (ADS)

    Kalosi, Abel; Dohnal, Petr; Plasil, Radek; Johnsen, Rainer; Glosik, Juraj

    2016-09-01

    The temperature dependence of the ternary recombination rate coefficients of H2D+ and HD2+ ions has been studied in the temperature range of 80-150 K at pressures from 500 to 1700 Pa in a stationary afterglow apparatus equipped with a cavity ring-down spectrometer. Neutral gas mixtures consisting of He/Ar/H2/D2 (with typical number densities 1017 /1014 /1014 /1014 cm-3) were employed to produce the desired ionic species and their fractional abundances were monitored as a function of helium pressure and the [D2]/[H2] ratio of the neutral gas. In addition, the translational and the rotational temperature and the ortho to para ratio were monitored for both H2D+ and HD2+ ions. A fairly strong pressure dependence of the effective recombination rate coefficient was observed for both ion species, leading to ternary recombination rate coefficients close to those previously found for (helium assisted) ternary recombination of H3+ and D3+. Work supported by: Czech Science Foundation projects GACR 14-14649P, GACR 15-15077S, GACR P209/12/0233, and by Charles University in Prague Project Nr. GAUK 692214.

  16. Origin of long-lived oscillations in 2D-spectra of a quantum vibronic model: Electronic versus vibrational coherence

    SciTech Connect

    Plenio, M. B.; Almeida, J.; Huelga, S. F.

    2013-12-21

    We demonstrate that the coupling of excitonic and vibrational motion in biological complexes can provide mechanisms to explain the long-lived oscillations that have been obtained in nonlinear spectroscopic signals of different photosynthetic pigment protein complexes and we discuss the contributions of excitonic versus purely vibrational components to these oscillatory features. Considering a dimer model coupled to a structured spectral density we exemplify the fundamental aspects of the electron-phonon dynamics, and by analyzing separately the different contributions to the nonlinear signal, we show that for realistic parameter regimes purely electronic coherence is of the same order as purely vibrational coherence in the electronic ground state. Moreover, we demonstrate how the latter relies upon the excitonic interaction to manifest. These results link recently proposed microscopic, non-equilibrium mechanisms to support long lived coherence at ambient temperatures with actual experimental observations of oscillatory behaviour using 2D photon echo techniques to corroborate the fundamental importance of the interplay of electronic and vibrational degrees of freedom in the dynamics of light harvesting aggregates.

  17. Origin of long-lived oscillations in 2D-spectra of a quantum vibronic model: electronic versus vibrational coherence.

    PubMed

    Plenio, M B; Almeida, J; Huelga, S F

    2013-12-21

    We demonstrate that the coupling of excitonic and vibrational motion in biological complexes can provide mechanisms to explain the long-lived oscillations that have been obtained in nonlinear spectroscopic signals of different photosynthetic pigment protein complexes and we discuss the contributions of excitonic versus purely vibrational components to these oscillatory features. Considering a dimer model coupled to a structured spectral density we exemplify the fundamental aspects of the electron-phonon dynamics, and by analyzing separately the different contributions to the nonlinear signal, we show that for realistic parameter regimes purely electronic coherence is of the same order as purely vibrational coherence in the electronic ground state. Moreover, we demonstrate how the latter relies upon the excitonic interaction to manifest. These results link recently proposed microscopic, non-equilibrium mechanisms to support long lived coherence at ambient temperatures with actual experimental observations of oscillatory behaviour using 2D photon echo techniques to corroborate the fundamental importance of the interplay of electronic and vibrational degrees of freedom in the dynamics of light harvesting aggregates.

  18. 2D array of cold-electron nanobolometers with double polarised cross-dipole antennas

    PubMed Central

    2012-01-01

    A novel concept of the two-dimensional (2D) array of cold-electron nanobolometers (CEB) with double polarised cross-dipole antennas is proposed for ultrasensitive multimode measurements. This concept provides a unique opportunity to simultaneously measure both components of an RF signal and to avoid complicated combinations of two schemes for each polarisation. The optimal concept of the CEB includes a superconductor-insulator-normal tunnel junction and an SN Andreev contact, which provides better performance. This concept allows for better matching with the junction gate field-effect transistor (JFET) readout, suppresses charging noise related to the Coulomb blockade due to the small area of tunnel junctions and decreases the volume of a normal absorber for further improvement of the noise performance. The reliability of a 2D array is considerably increased due to the parallel and series connections of many CEBs. Estimations of the CEB noise with JFET readout give an opportunity to realise a noise equivalent power (NEP) that is less than photon noise, specifically, NEP = 4 10−19 W/Hz1/2 at 7 THz for an optical power load of 0.02 fW. PMID:22512950

  19. ICF target 2D modeling using Monte Carlo SNB electron thermal transport in DRACO

    NASA Astrophysics Data System (ADS)

    Chenhall, Jeffrey; Cao, Duc; Moses, Gregory

    2016-10-01

    The iSNB (implicit Schurtz Nicolai Busquet multigroup diffusion electron thermal transport method is adapted into a Monte Carlo (MC) transport method to better model angular and long mean free path non-local effects. The MC model was first implemented in the 1D LILAC code to verify consistency with the iSNB model. Implementation of the MC SNB model in the 2D DRACO code enables higher fidelity non-local thermal transport modeling in 2D implosions such as polar drive experiments on NIF. The final step is to optimize the MC model by hybridizing it with a MC version of the iSNB diffusion method. The hybrid method will combine the efficiency of a diffusion method in intermediate mean free path regions with the accuracy of a transport method in long mean free path regions allowing for improved computational efficiency while maintaining accuracy. Work to date on the method will be presented. This work was supported by Sandia National Laboratories and the Univ. of Rochester Laboratory for Laser Energetics.

  20. Investigation of fast particle driven instabilities by 2D electron cyclotron emission imaging on ASDEX Upgrade

    NASA Astrophysics Data System (ADS)

    Classen, I. G. J.; Lauber, Ph; Curran, D.; Boom, J. E.; Tobias, B. J.; Domier, C. W.; Luhmann, N. C., Jr.; Park, H. K.; Garcia Munoz, M.; Geiger, B.; Maraschek, M.; Van Zeeland, M. A.; da Graça, S.; ASDEX Upgrade Team

    2011-12-01

    Detailed measurements of the 2D mode structure of Alfvén instabilities in the current ramp-up phase of neutral beam heated discharges were performed on ASDEX Upgrade, using the electron cyclotron emission imaging (ECEI) diagnostic. This paper focuses on the observation of reversed shear Alfvén eigenmodes (RSAEs) and bursting modes that, with the use of the information from ECEI, have been identified as beta-induced Alfvén eigenmodes (BAEs). Both RSAEs with first and second radial harmonic mode structures were observed. Calculations with the linear gyro-kinetic code LIGKA revealed that the ratio of the damping rates and the frequency difference between the first and second harmonic modes strongly depended on the shape of the q-profile. The bursting character of the BAE type modes, which were radially localized to rational q surfaces, was observed to sensitively depend on the plasma parameters, ranging from strongly bursting to almost steady state.

  1. 2D positive streamer modelling in NTP air under extreme pulse fronts. What about runaway electrons?

    NASA Astrophysics Data System (ADS)

    Marode, E.; Dessante, Ph; Tardiveau, P.

    2016-12-01

    Using a 2D model, an attempt is made to understand the properties and aspects of a diffuse discharge, appearing in a positive point-to-plane gap submitted to very high voltage pulses. After presenting the model, comparisons between the computed low and high pulse heights of 10 kV and 50 kV, respectively, will be shown and analysed. A streamer ionising wave is still formed, but its role in ionising a region of low field is replaced by the role of providing a plasma within which the electrons will benefit from the presence of a high electrical field meant to induce strong electron collision activities. A comparison between the aspect of the computed and experimental discharge carried out in the same conditions at 50 kV will be presented, which seems to be in agreement with the diffuse aspect. Although the difference in order of magnitude of the speed of development and the height of the current must be underlined, similarities between the structures of both situations will, however, be recognised. A high probability of obtaining highly energetic electrons and runaways (RAEs) will also be derived following a simple approach.

  2. Electron-impact dissociative excitation and ionization of N2D+

    SciTech Connect

    FogleJr, Michael R; Bahati Musafiri, Eric; Bannister, Mark E; Deng, Shihu; Vane, C Randy; Thomas, R. D.; Zhaunerchyk, Vitali

    2011-01-01

    Absolute cross sections for electron-impact dissociation of N{sub 2}D{sub +} producing N{sub 2}{sub +}, ND{sub +}, and N{sub +} ion fragments were measured in the 5- to 100-eV range using a crossed electron-ion beams technique. In the 5- to 20-eV region, in which dissociative excitation (DE) is the principal contributing mechanism, N{sub 2}{sub +} production dominates. The N{sub 2}{sub +} + D dissociation channel shows a large resonant-like structure in the DE cross section, as observed previously in electron impact dissociation of triatomic dihydride species [ M. Fogle, E. M. Bahati, M. E. Bannister, S. H. M. Deng, C. R. Vane, R. D. Thomas and V. Zhaunerchyk Phys. Rev. A 82 042720 (2010)]. In the dissociative ionization (DI) region, 20- to 100-eV, N{sub 2}{sub +}, ND{sub +}, and N{sub +} ion fragment production are comparable. The observance of the ND{sub +} and N{sub +} ion fragments indicate breaking of the N - N bond along certain dissociation channels.

  3. Electron-impact dissociative excitation and ionization of N{sub 2}D{sup +}

    SciTech Connect

    Fogle, M.; Bahati, E. M.; Bannister, M. E.; Deng, S. H. M.; Vane, C. R.; Thomas, R. D.; Zhaunerchyk, V.

    2011-09-15

    Absolute cross sections for electron-impact dissociation of N{sub 2}D{sup +} producing N{sub 2}{sup +}, ND{sup +}, and N{sup +} ion fragments were measured in the 5- to 100-eV range using a crossed electron-ion beams technique. In the 5- to 20-eV region, in which dissociative excitation (DE) is the principal contributing mechanism, N{sub 2}{sup +} production dominates. The N{sub 2}{sup +} + D dissociation channel shows a large resonant-like structure in the DE cross section, as observed previously in electron impact dissociation of triatomic dihydride species [M. Fogle, E. M. Bahati, M. E. Bannister, S. H. M. Deng, C. R. Vane, R. D. Thomas, and V. Zhaunerchyk, Phys. Rev. A 82, 042720 (2010)]. In the dissociative ionization (DI) region, 20- to 100-eV, N{sub 2}{sup +}, ND{sup +}, and N{sup +} ion fragment production are comparable. The observance of the ND{sup +} and N{sup +} ion fragments indicate breaking of the N - N bond along certain dissociation channels.

  4. Electron (charge) density studies of cellulose models

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

  5. 2D image of local density and magnetic fluctuations from line-integrated interferometry-polarimetry measurements

    NASA Astrophysics Data System (ADS)

    Lin, L.; Ding, W. X.; Brower, D. L.

    2014-11-01

    Combined polarimetry-interferometry capability permits simultaneous measurement of line-integrated density and Faraday effect with fast time response (˜1 μs) and high sensitivity. Faraday effect fluctuations with phase shift of order 0.05° associated with global tearing modes are resolved with an uncertainty ˜0.01°. For physics investigations, local density fluctuations are obtained by inverting the line-integrated interferometry data. The local magnetic and current density fluctuations are then reconstructed using a parameterized fit of the polarimetry data. Reconstructed 2D images of density and magnetic field fluctuations in a poloidal cross section exhibit significantly different spatial structure. Combined with their relative phase, the magnetic-fluctuation-induced particle transport flux and its spatial distribution are resolved.

  6. A Static and Dynamic Investigation of Quantum Nonlinear Transport in Highly Dense and Mobile 2D Electron Systems

    NASA Astrophysics Data System (ADS)

    Dietrich, Scott

    Heterostructures made of semiconductor materials may be one of most versatile environments for the study of the physics of electron transport in two dimensions. These systems are highly customizable and demonstrate a wide range of interesting physical phenomena. In response to both microwave radiation and DC excitations, strongly nonlinear transport that gives rise to non-equilibrium electron states has been reported and investigated. We have studied GaAs quantum wells with a high density of high mobility two-dimensional electrons placed in a quantizing magnetic field. This study presents the observation of several nonlinear transport mechanisms produced by the quantum nature of these materials. The quantum scattering rate, 1tau/q, is an important parameter in these systems, defining the width of the quantized energy levels. Traditional methods of extracting 1tau/q involve studying the amplitude of Shubnikov-de Haas oscillations. We analyze the quantum positive magnetoresistance due to the cyclotron motion of electrons in a magnetic field. This method gives 1tau/q and has the additional benefit of providing access to the strength of electron-electron interactions, which is not possible by conventional techniques. The temperature dependence of the quantum scattering rate is found to be proportional to the square of the temperature and is in very good agreement with theory that considers electron-electron interactions in 2D systems. In quantum wells with a small scattering rate - which corresponds to well-defined Landau levels - quantum oscillations of nonlinear resistance that are independent of magnetic field strength have been observed. These oscillations are periodic in applied bias current and are connected to quantum oscillations of resistance at zero bias: either Shubnikov-de Haas oscillations for single subband systems or magnetointersubband oscillations for two subband systems. The bias-induced oscillations can be explained by a spatial variation of electron

  7. 2D Optical Streaking for Ultra-Short Electron Beam Diagnostics

    SciTech Connect

    Ding, Y.T.; Huang, Z.; Wang, L.; /SLAC

    2011-12-14

    field ionization, which occurs in plasma case, gases species with high field ionization threshold should be considered. For a linear polarized laser, the kick to the ionized electrons depends on the phase of the laser when the electrons are born and the unknown timing jitter between the electron beam and laser beam makes the data analysis very difficult. Here we propose to use a circular polarized laser to do a 2-dimensional (2D) streaking (both x and y) and measure the bunch length from the angular distribution on the screen, where the phase jitter causes only a rotation of the image on the screen without changing of the relative angular distribution. Also we only need to know the laser wavelength for calibration. A similar circular RF deflecting mode was used to measure long bunches. We developed a numerical particle-in-Cell (PIC) code to study the dynamics of ionization electrons with the high energy beam and the laser beam.

  8. Particle visualization in high-power impulse magnetron sputtering. I. 2D density mapping

    SciTech Connect

    Britun, Nikolay Palmucci, Maria; Konstantinidis, Stephanos; Snyders, Rony

    2015-04-28

    Time-resolved characterization of an Ar-Ti high-power impulse magnetron sputtering discharge has been performed. This paper deals with two-dimensional density mapping in the discharge volume obtained by laser-induced fluorescence imaging. The time-resolved density evolution of Ti neutrals, singly ionized Ti atoms (Ti{sup +}), and Ar metastable atoms (Ar{sup met}) in the area above the sputtered cathode is mapped for the first time in this type of discharges. The energetic characteristics of the discharge species are additionally studied by Doppler-shift laser-induced fluorescence imaging. The questions related to the propagation of both the neutral and ionized discharge particles, as well as to their spatial density distributions, are discussed.

  9. Tunable electron heating induced giant magnetoresistance in the high mobility GaAs/AlGaAs 2D electron system

    PubMed Central

    Wang, Zhuo; Samaraweera, R. L.; Reichl, C.; Wegscheider, W.; Mani, R. G.

    2016-01-01

    Electron-heating induced by a tunable, supplementary dc-current (Idc) helps to vary the observed magnetoresistance in the high mobility GaAs/AlGaAs 2D electron system. The magnetoresistance at B = 0.3 T is shown to progressively change from positive to negative with increasing Idc, yielding negative giant-magnetoresistance at the lowest temperature and highest Idc. A two-term Drude model successfully fits the data at all Idc and T. The results indicate that carrier heating modifies a conductivity correction σ1, which undergoes sign reversal from positive to negative with increasing Idc, and this is responsible for the observed crossover from positive- to negative- magnetoresistance, respectively, at the highest B. PMID:27924953

  10. Teaching Chemistry with Electron Density Models.

    ERIC Educational Resources Information Center

    Shusterman, Gwendolyn P.; Shusterman, Alan J.

    1997-01-01

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

  11. Determination of nanoparticle size distribution together with density or molecular weight by 2D analytical ultracentrifugation

    PubMed Central

    Carney, Randy P.; Kim, Jin Young; Qian, Huifeng; Jin, Rongchao; Mehenni, Hakim; Stellacci, Francesco; Bakr, Osman M.

    2011-01-01

    Nanoparticles are finding many research and industrial applications, yet their characterization remains a challenge. Their cores are often polydisperse and coated by a stabilizing shell that varies in size and composition. No single technique can characterize both the size distribution and the nature of the shell. Advances in analytical ultracentrifugation allow for the extraction of the sedimentation (s) and diffusion coefficients (D). Here we report an approach to transform the s and D distributions of nanoparticles in solution into precise molecular weight (M), density (ρP) and particle diameter (dp) distributions. M for mixtures of discrete nanocrystals is found within 4% of the known quantities. The accuracy and the density information we achieve on nanoparticles are unparalleled. A single experimental run is sufficient for full nanoparticle characterization, without the need for standards or other auxiliary measurements. We believe that our method is of general applicability and we discuss its limitations. PMID:21654635

  12. Strongly Metallic Electron and Hole 2D Transport in an Ambipolar Si-Vacuum Field Effect Transistor.

    PubMed

    Hu, Binhui; Yazdanpanah, M M; Kane, B E; Hwang, E H; Das Sarma, S

    2015-07-17

    We report experiment and theory on an ambipolar gate-controlled Si(111)-vacuum field effect transistor where we study electron and hole (low-temperature 2D) transport in the same device simply by changing the external gate voltage to tune the system from being a 2D electron system at positive gate voltage to a 2D hole system at negative gate voltage. The electron (hole) conductivity manifests strong (moderate) metallic temperature dependence with the conductivity decreasing by a factor of 8 (2) between 0.3 K and 4.2 K with the peak electron mobility (∼18  m2/V s) being roughly 20 times larger than the peak hole mobility (in the same sample). Our theory explains the data well using random phase approximation screening of background Coulomb disorder, establishing that the observed metallicity is a direct consequence of the strong temperature dependence of the effective screened disorder.

  13. Conceptual design of a neutron diagnostic for 2-D deuterium power density map reconstruction in MITICA

    NASA Astrophysics Data System (ADS)

    Rebai, M.; Croci, G.; Grosso, G.; Muraro, A.; Perelli Cippo, E.; Tardocchi, M.; Dalla Palma, M.; Pasqualotto, R.; Tollin, M.; Murtas, F.; Cavenago, M.; Gorini, G.

    2017-01-01

    A neutron diagnostic based on Gas Electron Multiplier is proposed for the MITICA beam injector test facility. The detection system is called Close-contact Neutron Emission Surface Mapping (CNESM) and aims at providing the beam intensity profile on the horizontal direction by measuring the neutron emission from the beam dump surface by placing a detector right behind the dump. CNESM uses Gas Electron Multiplier detectors equipped with a cathode that also serves as neutron-proton converter foil, named nGEM. The cathode, made of a thin polythene film and an aluminium film, is designed for detection of neutrons emitted with and angle between 30 and 70 degrees with respect to the deuterium beam axis. Neutron scattering in the dump and neutron detection with the nGEM were simulated with the MCNP6.1.1 code.

  14. Electron density studies of methyl cellobioside

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

  15. Collimated fast electron beam generation in critical density plasma

    SciTech Connect

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

    2014-11-15

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

  16. Spin-Orbit Interaction in High-κ Dielectric Gated Rashba-2D Electron Gas and Mesoscopic Rings

    NASA Astrophysics Data System (ADS)

    Dai, Yanhua; Yuan, Zhuoquan; Stone, Kristjan; Du, Rui-Rui; Xu, Min; Ye, Peide

    2008-03-01

    There is increasing current interest in the quantum interference effect in mesoscopic devices fabricated on a Rashba-2D electron gas (2DEG), where the spin-orbit interaction parameters can be tuned by a potential gate. We explore ring structures that use a gate consisting of thin (5nm-50nm) high-κ dielectric Al2O3 or HfO2 layer and nano-patterned metals. The 2DEG is provided by lattice-matched In0.52Al0.48As/In0.53Ga0.47As/In0.52Al0.48As quantum wells that have a typical electron density n of 1.5x10^12/cm^2 and mobility μ>=2x10^4cm^2/Vs. The dielectric material was grown by atomic layer deposition. We will present the gate characteristics of Hall bars as well as magnetic transport data from gated mesoscopic rings. The work at Rice is funded by NSF DMR-0706634. Reference: M. Konig et al, Phys. Rev. Lett. 96, 076804 (2006); T. Bergsten et al, Phys. Rev. Lett. 97, 196803 (2006); B. Grbic et al, Phys. Rev. Lett. 99, 176803 (2007).

  17. Quantitative nanoscale visualization of heterogeneous electron transfer rates in 2D carbon nanotube networks

    PubMed Central

    Güell, Aleix G.; Ebejer, Neil; Snowden, Michael E.; McKelvey, Kim; Macpherson, Julie V.; Unwin, Patrick R.

    2012-01-01

    Carbon nanotubes have attracted considerable interest for electrochemical, electrocatalytic, and sensing applications, yet there remains uncertainty concerning the intrinsic electrochemical (EC) activity. In this study, we use scanning electrochemical cell microscopy (SECCM) to determine local heterogeneous electron transfer (HET) kinetics in a random 2D network of single-walled carbon nanotubes (SWNTs) on an Si/SiO2 substrate. The high spatial resolution of SECCM, which employs a mobile nanoscale EC cell as a probe for imaging, enables us to sample the responses of individual portions of a wide range of SWNTs within this complex arrangement. Using two redox processes, the oxidation of ferrocenylmethyl trimethylammonium and the reduction of ruthenium (III) hexaamine, we have obtained conclusive evidence for the high intrinsic EC activity of the sidewalls of the large majority of SWNTs in networks. Moreover, we show that the ends of SWNTs and the points where two SWNTs cross do not show appreciably different HET kinetics relative to the sidewall. Using finite element method modeling, we deduce standard rate constants for the two redox couples and demonstrate that HET based solely on characteristic defects in the SWNT side wall is highly unlikely. This is further confirmed by the analysis of individual line profiles taken as the SECCM probe scans over an SWNT. More generally, the studies herein demonstrate SECCM to be a powerful and versatile method for activity mapping of complex electrode materials under conditions of high mass transport, where kinetic assignments can be made with confidence. PMID:22635266

  18. 2D Particle-In-Cell simulations of the electron-cyclotron instability and associated anomalous transport in Hall-Effect Thrusters

    NASA Astrophysics Data System (ADS)

    Croes, Vivien; Lafleur, Trevor; Bonaventura, Zdenek; Péchereau, François; Bourdon, Anne; Chabert, Pascal

    2016-09-01

    This work studies the electron-cyclotron instability in Hall-Effect Thrusters (HETs) using a 2D Particle-In-Cell (PIC) simulation. The simulation is configured with a Cartesian coordinate system where a magnetic field, B0, is aligned along the X-axis (radial direction, including absorbing walls), a constant electric field, E0, along the Z-axis (axial direction, perpendicular to simulation plane), and the E0xB0 direction along the Y-axis (O direction, with periodic boundaries). Although for low plasma densities classical electron-neutral collisions theory describes well electron transport, at sufficiently high densities (as measured in HETs) a strong instability can be observed that enhances the electron mobility, even in the absence of collisions. The instability generates high frequency ( MHz) and short wavelength ( mm) fluctuations in both the electric field and charged particle densities. We investigate the correlation between these fluctuations and their role with anomalous electron transport; complementing previous 1D simulations. Plasma is self-consistently heated by the instability, but since the latter does not reach saturation in an infinitely long 2D system, saturation is achieved through implementation of a finite axial length that models convection in E0 direction. With support of Safran Aircraft Engines.

  19. 2D Tl-Pb compounds on Ge(1 1 1) surface: atomic arrangement and electronic band structure.

    PubMed

    Gruznev, D V; Bondarenko, L V; Tupchaya, A Y; Eremeev, S V; Mihalyuk, A N; Chou, J P; Wei, C M; Zotov, A V; Saranin, A A

    2017-01-25

    Structural transformations and evolution of the electron band structure in the (Tl, Pb)/Ge(1 1 1) system have been studied using low-energy electron diffraction, scanning tunneling microscopy, angle-resolved photoelectron spectroscopy and density functional theory calculations. The two 2D Tl-Pb compounds on Ge(1 1 1), [Formula: see text]-(Tl, Pb) and [Formula: see text]-(Tl, Pb), have been found and their composition, atomic arrangement and electron properties has been characterized. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] compound is almost identical to the alike (Tl, Pb)/Si(1 1 1)[Formula: see text] system from the viewpoint of its atomic structure and electronic properties. They contain 1.0 ML of Tl atoms arranged into a honeycomb network of chained trimers and 1/3 ML of Pb atoms occupying the centers of the honeycomb units. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] compound contains six Tl atoms and seven Pb atoms per [Formula: see text] unit cell (i.e.  ∼0.67 ML Tl and  ∼0.78 ML Pb). Its atomic structure can be visualized as consisting of Pb hexagons surrounded by Tl trimers. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] and (Tl, Pb)/Ge(1 1 1)[Formula: see text] compounds are metallic and their band structures contain spin-split surface-state bands. By analogy with the (Tl, Pb)/Si(1 1 1)[Formula: see text], these (Tl, Pb)/Ge(1 1 1) compounds are believed to be promising objects for prospective studies of superconductivity in one-atom-layer systems.

  20. 2D Tl-Pb compounds on Ge(1 1 1) surface: atomic arrangement and electronic band structure

    NASA Astrophysics Data System (ADS)

    Gruznev, D. V.; Bondarenko, L. V.; Tupchaya, A. Y.; Eremeev, S. V.; Mihalyuk, A. N.; Chou, J. P.; Wei, C. M.; Zotov, A. V.; Saranin, A. A.

    2017-01-01

    Structural transformations and evolution of the electron band structure in the (Tl, Pb)/Ge(1 1 1) system have been studied using low-energy electron diffraction, scanning tunneling microscopy, angle-resolved photoelectron spectroscopy and density functional theory calculations. The two 2D Tl-Pb compounds on Ge(1 1 1), \\sqrt{3}× \\sqrt{3} -(Tl, Pb) and 3× 3 -(Tl, Pb), have been found and their composition, atomic arrangement and electron properties has been characterized. The (Tl, Pb)/Ge(1 1 1)\\sqrt{3}× \\sqrt{3} compound is almost identical to the alike (Tl, Pb)/Si(1 1 1)\\sqrt{3}× \\sqrt{3} system from the viewpoint of its atomic structure and electronic properties. They contain 1.0 ML of Tl atoms arranged into a honeycomb network of chained trimers and 1/3 ML of Pb atoms occupying the centers of the honeycomb units. The (Tl, Pb)/Ge(1 1 1)3× 3 compound contains six Tl atoms and seven Pb atoms per 3× 3 unit cell (i.e.  ˜0.67 ML Tl and  ˜0.78 ML Pb). Its atomic structure can be visualized as consisting of Pb hexagons surrounded by Tl trimers. The (Tl, Pb)/Ge(1 1 1)\\sqrt{3}× \\sqrt{3} and (Tl, Pb)/Ge(1 1 1)3× 3 compounds are metallic and their band structures contain spin-split surface-state bands. By analogy with the (Tl, Pb)/Si(1 1 1)\\sqrt{3}× \\sqrt{3} , these (Tl, Pb)/Ge(1 1 1) compounds are believed to be promising objects for prospective studies of superconductivity in one-atom-layer systems.

  1. Compelling experimental evidence of a Dirac cone in the electronic structure of a 2D Silicon layer

    PubMed Central

    Sadeddine, Sana; Enriquez, Hanna; Bendounan, Azzedine; Kumar Das, Pranab; Vobornik, Ivana; Kara, Abdelkader; Mayne, Andrew J.; Sirotti, Fausto; Dujardin, Gérald; Oughaddou, Hamid

    2017-01-01

    The remarkable properties of graphene stem from its two-dimensional (2D) structure, with a linear dispersion of the electronic states at the corners of the Brillouin zone (BZ) forming a Dirac cone. Since then, other 2D materials have been suggested based on boron, silicon, germanium, phosphorus, tin, and metal di-chalcogenides. Here, we present an experimental investigation of a single silicon layer on Au(111) using low energy electron diffraction (LEED), high resolution angle-resolved photoemission spectroscopy (HR-ARPES), and scanning tunneling microscopy (STM). The HR-ARPES data show compelling evidence that the silicon based 2D overlayer is responsible for the observed linear dispersed feature in the valence band, with a Fermi velocity of comparable to that of graphene. The STM images show extended and homogeneous domains, offering a viable route to the fabrication of silicene-based opto-electronic devices. PMID:28281666

  2. Compelling experimental evidence of a Dirac cone in the electronic structure of a 2D Silicon layer

    NASA Astrophysics Data System (ADS)

    Sadeddine, Sana; Enriquez, Hanna; Bendounan, Azzedine; Kumar Das, Pranab; Vobornik, Ivana; Kara, Abdelkader; Mayne, Andrew J.; Sirotti, Fausto; Dujardin, Gérald; Oughaddou, Hamid

    2017-03-01

    The remarkable properties of graphene stem from its two-dimensional (2D) structure, with a linear dispersion of the electronic states at the corners of the Brillouin zone (BZ) forming a Dirac cone. Since then, other 2D materials have been suggested based on boron, silicon, germanium, phosphorus, tin, and metal di-chalcogenides. Here, we present an experimental investigation of a single silicon layer on Au(111) using low energy electron diffraction (LEED), high resolution angle-resolved photoemission spectroscopy (HR-ARPES), and scanning tunneling microscopy (STM). The HR-ARPES data show compelling evidence that the silicon based 2D overlayer is responsible for the observed linear dispersed feature in the valence band, with a Fermi velocity of comparable to that of graphene. The STM images show extended and homogeneous domains, offering a viable route to the fabrication of silicene-based opto-electronic devices.

  3. Momentum density and 2D-ACAR experiments in YBa{sub 2}Cu{sub 3}O{sub 7}

    SciTech Connect

    Bansil, A.; Smedskjaer, L.C.

    1991-12-01

    We compare measured c-projected 2D-ACAR spectrum from an untwinned single crystal of YBa{sub 2}Cu{sub 3}O{sub 7-x} with the corresponding band theory predictions. Many different one-dimensional sections through the spectrum are considered, together with the characteristic amplitudes and shapes of the spectral anisotropies, with a focus on identifying and delineating Fermi surface signatures in the spectra. The positron data clearly show several distinct features of the ridge Fermi surface predicted by the band theory, and give an indication of the pillbox Fermi sheet. The good agreement between theory and experiment suggests that the band theory framework based on the local density approximation (LDA) is capable of providing a substantially correct description of the momentum density and Fermiology of the normal ground state electronic structure of YBa{sub 2}Cu{sub 3}O{sub 7}.

  4. Electronic and structural properties of 3D, 2D and 1D materials

    NASA Astrophysics Data System (ADS)

    Ribeiro, Filipe Joao

    In this work several applications of the ab initio pseudopotential density functional theory method are presented. With this method it is possible to calculate the electronic ground state properties of many systems like bulk solids, surfaces, nanotubes, and nanowires, and draw conclusions about the systems structural and electronic properties. With modifications of this approach excited states can also be treated. The first chapter of this thesis gives a brief description of the computational techniques employed. The second chapter describes results of calculations on the structural and electronic properties of carbon and germanium. We try to shed some light on a still poorly understood structural phase transition of graphite under pressure at low temperatures, which is different from the high temperature regime. Next, we study the phase transition path of germanium under pressure and predict the existence of a new phase. The following chapter explores the possibility of superconductivity in the graphite-like compound BC3 since there are many similarities between the electronic structure of this material and the 39 K superconductor MgB2. Subsequently, results of calculations on the adsorption of indium atoms on carbon nanotubes and graphite-like surfaces are presented. These studies explain some very interesting experimental results of In migration on nanotubes in an electrical potential. In the following chapters the electronic properties of very thin metallic MoSe nanowires are studied, and the different regimes of stability of metallic monatomic chains of Au, Al, Ag, Pd, Rh, and Ru are investigated and compared. Chapter 7 addresses the possible polymerization of C60 molecules inside carbon and boron nitride nanotubes. Finally, the propagation of a light signal in a medium with gains and losses is investigated, and the possibility of a discontinuity in the index of refraction is discussed.

  5. Dust Capture and Long-lived Density Enhancements Triggered by Vortices in 2D Protoplanetary Disks

    NASA Astrophysics Data System (ADS)

    Surville, Clément; Mayer, Lucio; Lin, Douglas N. C.

    2016-11-01

    We study dust capture by vortices and its long-term consequences in global two-fluid inviscid disk simulations using a new polar grid code RoSSBi. We perform the longest integrations so far, several hundred disk orbits, at the highest resolution attainable in global disk simulations with dust, namely, 2048 × 4096 grid points. We vary a wide range of dust parameters, most notably the initial dust-to-gas ratio ɛ varies in the range of 10-4-10-2. Irrespective of the value of ɛ, we find rapid concentration of the dust inside vortices, reaching dust-to-gas ratios of the order of unity inside the vortex. We present an analytical model that describes this dust capture process very well, finding consistent results for all dust parameters. A vortex streaming instability develops, which invariably causes vortex destruction. After vortex dissipation large-scale dust rings encompassing a disk annulus form in most cases, which sustain very high dust concentration, approaching ratios of the order of unity they persist as long as the duration of the simulations. They are sustained by a streaming instability, which manifests itself in high-density dust clumps at various scales. When vortices are particularly long-lived, rings do not form but dust clumps inside vortices can survive a long time and would likely undergo collapse by gravitational instability. Rings encompass almost an Earth mass of solid material, while even larger masses of dust do accumulate inside vortices in the earlier stage. We argue that rapid planetesimal formation would occur in the dust clumps inside the vortices as well as in the post-vortex rings.

  6. Stability and electronic properties of SiGe-based 2D layered structures

    NASA Astrophysics Data System (ADS)

    Jamdagni, Pooja; Kumar, Ashok; Thakur, Anil; Pandey, Ravindra; Ahluwalia, P. K.

    2015-01-01

    The structural and electronic properties of the in-plane hybrids consisting of siligene (SiGe), and its derivatives in both mono and bilayer forms are investigated within density functional theory. Among several pristine and hydrogenated configurations, the so-called chair conformation is energetically favorable for monolayers. On the other hand, the bilayer siligane (HSiGeH) prefers AB-stacked chair conformation and bilayer siligone (HSiGe) prefers AA-stacked buckled conformation. In SiGe, the Dirac-cone character is predicted to be retained. HSiGe is a magnetic semiconductor with a band gap of ˜0.6 eV. The electronic properties show tunability under mechanical strain and transverse electric field; (i) the energy gap opens up in the SiGe bilayer, (ii) a direct-to-indirect gap transition is predicted by the applied strain in the HSiGeH bilayer, and (iii) a semiconductor-to-metal transition is predicted for HSiGe and HSiGeH bilayers under the application of strain and electric field, thus suggesting SiGe and its derivatives to be a potential candidate for electronic devices at nanoscale.

  7. Conformation and electronic population transfer in membrane-supported self-assembled porphyrin dimers by 2D fluorescence spectroscopy.

    PubMed

    Perdomo-Ortiz, Alejandro; Widom, Julia R; Lott, Geoffrey A; Aspuru-Guzik, Alán; Marcus, Andrew H

    2012-09-06

    Two-dimensional fluorescence spectroscopy (2D FS) is applied to determine the conformation and femtosecond electronic population transfer in a dimer of magnesium meso tetraphenylporphyrin. The dimers are prepared by self-assembly of the monomer within the amphiphilic regions of 1,2-distearoyl-sn-glycero-3-phosphocholine liposomes. A theoretical framework to describe 2D FS experiments is presented, and a direct comparison is made between the observables of this measurement and those of 2D electronic spectroscopy (2D ES). The sensitivity of the method to varying dimer conformation is explored. A global multivariable fitting analysis of linear and 2D FS data indicates that the dimer adopts a "bent T-shaped" conformation. Moreover, the manifold of singly excited excitons undergoes rapid electronic dephasing and downhill population transfer on the time scale of ∼95 fs. The open conformation of the dimer suggests that its self-assembly is favored by an increase in entropy of the local membrane environment.

  8. Impact of environmentally induced fluctuations on quantum mechanically mixed electronic and vibrational pigment states in photosynthetic energy transfer and 2D electronic spectra

    NASA Astrophysics Data System (ADS)

    Fujihashi, Yuta; Fleming, Graham R.; Ishizaki, Akihito

    2015-06-01

    Recently, nuclear vibrational contribution signatures in two-dimensional (2D) electronic spectroscopy have attracted considerable interest, in particular as regards interpretation of the oscillatory transients observed in light-harvesting complexes. These transients have dephasing times that persist for much longer than theoretically predicted electronic coherence lifetime. As a plausible explanation for this long-lived spectral beating in 2D electronic spectra, quantum-mechanically mixed electronic and vibrational states (vibronic excitons) were proposed by Christensson et al. [J. Phys. Chem. B 116, 7449 (2012)] and have since been explored. In this work, we address a dimer which produces little beating of electronic origin in the absence of vibronic contributions, and examine the impact of protein-induced fluctuations upon electronic-vibrational quantum mixtures by calculating the electronic energy transfer dynamics and 2D electronic spectra in a numerically accurate manner. It is found that, at cryogenic temperatures, the electronic-vibrational quantum mixtures are rather robust, even under the influence of the fluctuations and despite the small Huang-Rhys factors of the Franck-Condon active vibrational modes. This results in long-lasting beating behavior of vibrational origin in the 2D electronic spectra. At physiological temperatures, however, the fluctuations eradicate the mixing, and hence, the beating in the 2D spectra disappears. Further, it is demonstrated that such electronic-vibrational quantum mixtures do not necessarily play a significant role in electronic energy transfer dynamics, despite contributing to the enhancement of long-lived quantum beating in 2D electronic spectra, contrary to speculations in recent publications.

  9. Impact of environmentally induced fluctuations on quantum mechanically mixed electronic and vibrational pigment states in photosynthetic energy transfer and 2D electronic spectra

    SciTech Connect

    Fujihashi, Yuta; Ishizaki, Akihito; Fleming, Graham R.

    2015-06-07

    Recently, nuclear vibrational contribution signatures in two-dimensional (2D) electronic spectroscopy have attracted considerable interest, in particular as regards interpretation of the oscillatory transients observed in light-harvesting complexes. These transients have dephasing times that persist for much longer than theoretically predicted electronic coherence lifetime. As a plausible explanation for this long-lived spectral beating in 2D electronic spectra, quantum-mechanically mixed electronic and vibrational states (vibronic excitons) were proposed by Christensson et al. [J. Phys. Chem. B 116, 7449 (2012)] and have since been explored. In this work, we address a dimer which produces little beating of electronic origin in the absence of vibronic contributions, and examine the impact of protein-induced fluctuations upon electronic-vibrational quantum mixtures by calculating the electronic energy transfer dynamics and 2D electronic spectra in a numerically accurate manner. It is found that, at cryogenic temperatures, the electronic-vibrational quantum mixtures are rather robust, even under the influence of the fluctuations and despite the small Huang-Rhys factors of the Franck-Condon active vibrational modes. This results in long-lasting beating behavior of vibrational origin in the 2D electronic spectra. At physiological temperatures, however, the fluctuations eradicate the mixing, and hence, the beating in the 2D spectra disappears. Further, it is demonstrated that such electronic-vibrational quantum mixtures do not necessarily play a significant role in electronic energy transfer dynamics, despite contributing to the enhancement of long-lived quantum beating in 2D electronic spectra, contrary to speculations in recent publications.

  10. Impact of environmentally induced fluctuations on quantum mechanically mixed electronic and vibrational pigment states in photosynthetic energy transfer and 2D electronic spectra.

    PubMed

    Fujihashi, Yuta; Fleming, Graham R; Ishizaki, Akihito

    2015-06-07

    Recently, nuclear vibrational contribution signatures in two-dimensional (2D) electronic spectroscopy have attracted considerable interest, in particular as regards interpretation of the oscillatory transients observed in light-harvesting complexes. These transients have dephasing times that persist for much longer than theoretically predicted electronic coherence lifetime. As a plausible explanation for this long-lived spectral beating in 2D electronic spectra, quantum-mechanically mixed electronic and vibrational states (vibronic excitons) were proposed by Christensson et al. [J. Phys. Chem. B 116, 7449 (2012)] and have since been explored. In this work, we address a dimer which produces little beating of electronic origin in the absence of vibronic contributions, and examine the impact of protein-induced fluctuations upon electronic-vibrational quantum mixtures by calculating the electronic energy transfer dynamics and 2D electronic spectra in a numerically accurate manner. It is found that, at cryogenic temperatures, the electronic-vibrational quantum mixtures are rather robust, even under the influence of the fluctuations and despite the small Huang-Rhys factors of the Franck-Condon active vibrational modes. This results in long-lasting beating behavior of vibrational origin in the 2D electronic spectra. At physiological temperatures, however, the fluctuations eradicate the mixing, and hence, the beating in the 2D spectra disappears. Further, it is demonstrated that such electronic-vibrational quantum mixtures do not necessarily play a significant role in electronic energy transfer dynamics, despite contributing to the enhancement of long-lived quantum beating in 2D electronic spectra, contrary to speculations in recent publications.

  11. Final LDRD report : the physics of 1D and 2D electron gases in III-nitride heterostructure NWs.

    SciTech Connect

    Armstrong, Andrew M.; Arslan, Ilke; Upadhya, Prashanth C.; Morales, Eugenia T.; Leonard, Francois Leonard; Li, Qiming; Wang, George T.; Talin, Albert Alec; Prasankumar, Rohit P.; Lin, Yong

    2009-09-01

    The proposed work seeks to demonstrate and understand new phenomena in novel, freestanding III-nitride core-shell nanowires, including 1D and 2D electron gas formation and properties, and to investigate the role of surfaces and heterointerfaces on the transport and optical properties of nanowires, using a combined experimental and theoretical approach. Obtaining an understanding of these phenomena will be a critical step that will allow development of novel, ultrafast and ultraefficient nanowire-based electronic and photonic devices.

  12. Gold-induced nanowires on the Ge(100) surface yield a 2D and not a 1D electronic structure

    NASA Astrophysics Data System (ADS)

    de Jong, N.; Heimbuch, R.; Eliëns, S.; Smit, S.; Frantzeskakis, E.; Caux, J.-S.; Zandvliet, H. J. W.; Golden, M. S.

    2016-06-01

    Atomic nanowires on semiconductor surfaces induced by the adsorption of metallic atoms have attracted a lot of attention as possible hosts of the elusive, one-dimensional Tomonaga-Luttinger liquid. The Au/Ge(100) system in particular is the subject of controversy as to whether the Au-induced nanowires do indeed host exotic, 1D (one-dimensional) metallic states. In light of this debate, we report here a thorough study of the electronic properties of high quality nanowires formed at the Au/Ge(100) surface. The high-resolution ARPES data show the low-lying Au-induced electronic states to possess a dispersion relation that depends on two orthogonal directions in k space. Comparison of the E (kx,ky) surface measured using high-resolution ARPES to tight-binding calculations yields hopping parameters in the two different directions that differ by approximately factor of two. Additionally, by pinpointing the Au-induced surface states in the first, second, and third surface Brillouin zones and analyzing their periodicity in k||, the nanowire propagation direction seen clearly in STM can be imported into the ARPES data. We find that the larger of the two hopping parameters corresponds, in fact, to the direction perpendicular to the nanowires (tperp). This proves that the Au-induced electron pockets possess a two-dimensional, closed Fermi surface, and this firmly places the Au/Ge(100) nanowire system outside potential hosts of a Tomonaga-Luttinger liquid. We combine these ARPES data with scanning tunneling spectroscopic measurements of the spatially resolved electronic structure and find that the spatially straight—wirelike—conduction channels observed up to energies of order one electron volt below the Fermi level do not originate from the Au-induced states seen in the ARPES data. The former are rather more likely to be associated with bulk Ge states that are localized to the subsurface region. Despite our proof of the 2D (two-dimentional) nature of the Au

  13. Estimation of percentage breast tissue density: comparison between digital mammography (2D full field digital mammography) and digital breast tomosynthesis according to different BI-RADS categories

    PubMed Central

    Cavagnetto, F; Calabrese, M; Houssami, N

    2013-01-01

    Objective: To compare breast density estimated from two-dimensional full-field digital mammography (2D FFDM) and from digital breast tomosynthesis (DBT) according to different Breast Imaging–Reporting and Data System (BI-RADS) categories, using automated software. Methods: Institutional review board approval and written informed patient consent were obtained. DBT and 2D FFDM were performed in the same patients to allow within-patient comparison. A total of 160 consecutive patients (mean age: 50±14 years; mean body mass index: 22±3) were included to create paired data sets of 40 patients for each BI-RADS category. Automatic software (MedDensity©, developed by Giulio Tagliafico) was used to compare the percentage breast density between DBT and 2D FFDM. The estimated breast percentage density obtained using DBT and 2D FFDM was examined for correlation with the radiologists' visual BI-RADS density classification. Results: The 2D FFDM differed from DBT by 16.0% in BI-RADS Category 1, by 11.9% in Category 2, by 3.5% in Category 3 and by 18.1% in Category 4. These differences were highly significant (p<0.0001). There was a good correlation between the BI-RADS categories and the density evaluated using 2D FFDM and DBT (r=0.56, p<0.01 and r=0.48, p<0.01, respectively). Conclusion: Using DBT, breast density values were lower than those obtained using 2D FFDM, with a non-linear relationship across the BI-RADS categories. These data are relevant for clinical practice and research studies using density in determining the risk. Advances in knowledge: On DBT, breast density values were lower than with 2D FFDM, with a non-linear relationship across the classical BI-RADS categories. PMID:24029631

  14. Ionospheric density enhancement during relativistic electron precipitation

    NASA Technical Reports Server (NTRS)

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

    1980-01-01

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

  15. Two-dimensional B-C-O alloys: a promising class of 2D materials for electronic devices.

    PubMed

    Zhou, Si; Zhao, Jijun

    2016-04-28

    Graphene, a superior 2D material with high carrier mobility, has limited application in electronic devices due to zero band gap. In this regard, boron and nitrogen atoms have been integrated into the graphene lattice to fabricate 2D semiconducting heterostructures. It is an intriguing question whether oxygen can, as a replacement of nitrogen, enter the sp2 honeycomb lattice and form stable B-C-O monolayer structures. Here we explore the atomic structures, energetic and thermodynamic stability, and electronic properties of various 2D B-C-O alloys using first-principles calculations. Our results show that oxygen can be stably incorporated into the graphene lattice by bonding with boron. The B and O species favor forming alternate patterns into the chain- or ring-like structures embedded in the pristine graphene regions. These B-C-O hybrid sheets can be either metals or semiconductors depending on the B : O ratio. The semiconducting (B2O)nCm and (B6O3)nCm phases exist under the B- and O-rich conditions, and possess a tunable band gap of 1.0-3.8 eV and high carrier mobility, retaining ∼1000 cm2 V(-1) s(-1) even for half coverage of B and O atoms. These B-C-O alloys form a new class of 2D materials that are promising candidates for high-speed electronic devices.

  16. Theoretical studies on densities, stability and detonation properties of 2D polymeric complexes Cu(DAT)₂Cl₂ and its new analogues Zn(DAT)₂Cl₂.

    PubMed

    Shu, Yuanjie; Li, Huarong; Gao, Shijie; Xiong, Ying

    2013-04-01

    A novel environmentally friendly octahedrally coordinated 2D polymeric complexes bis(1,5-diaminotetrazole) -dichlorozinc(II) (Zn(DAT)2Cl2) was first designed based on the the crystal data of bis(1,5-diaminotetrazole)- dichlorocopper(II) (Cu(DAT)2Cl2). Density functional theory (DFT) was used to predict the optimized geometries at TPSSTPSS/6-311G(d, p) level. Densities and detonation properties were evaluated using the electron cloud enclosed volume and VLW equation of state (VLW EOS), respectively. Calculation results show that the density of Zn(DAT)2Cl2 (2.117 g · cm(-1)) is a bit more than that of Cu(DAT)2Cl2 (2.106 g · cm(-1)). The calculated high positive heat of formation (HOF) predicts that the stabilities of the title compounds decrease in the order Zn(DAT)2Cl2 > Cu(DAT)2Cl2, which agrees with the result of bond dissociation energies (BDE). Even though they have the same molecule structures, their first scission steps are different. Furthermore, the title two compounds show good detonation velocities and pressures compared with that of bis-(5-nitro-2H-tetrazolato-N (2)) tetraamminecobalt(III) perchlorates (BNCP), and they are potential candidates for high-energy-density materials (HEDM).

  17. Electronic structure of disordered CuPd alloys by positron-annihilation 2D-ACAR

    SciTech Connect

    Smedskjaer, L.C.; Benedek, R.; Siegel, R.W.; Legnini, D.G.; Stahulak, M.D.; Bansil, A.

    1988-01-01

    We report 2D-ACAR experiments and KKR CPA calculations on alpha-phase single-crystal Cu/sub 1-x/Pd/sub x/ in the range x less than or equal to 0.25. The flattening of the Fermi surface near (110) with increasing x predicted by theory is confirmed by our experimental results. 16 refs., 2 figs.

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

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

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

  19. Layer-by-Layer Assembled 2D Montmorillonite Dielectrics for Solution-Processed Electronics.

    PubMed

    Zhu, Jian; Liu, Xiaolong; Geier, Michael L; McMorrow, Julian J; Jariwala, Deep; Beck, Megan E; Huang, Wei; Marks, Tobin J; Hersam, Mark C

    2016-01-06

    Layer-by-layer assembled 2D montmorillonite nanosheets are shown to be high-performance, solution-processed dielectrics. These scalable and spatially uniform sub-10 nm thick dielectrics yield high areal capacitances of ≈600 nF cm(-2) and low leakage currents down to 6 × 10(-9) A cm(-2) that enable low voltage operation of p-type semiconducting single-walled carbon nanotube and n-type indium gallium zinc oxide field-effect transistors.

  20. Reflection high-energy electron diffraction measurements of reciprocal space structure of 2D materials.

    PubMed

    Xiang, Y; Guo, F-W; Lu, T-M; Wang, G-C

    2016-12-02

    Knowledge on the symmetry and perfection of a 2D material deposited or transferred to a surface is very important and valuable. We demonstrate a method to map the reciprocal space structure of 2D materials using reflection high energy diffraction (RHEED). RHEED from a 2D material gives rise to 'streaks' patterns. It is shown that from these streaks patterns at different azimuthal rotation angles that the reciprocal space intensity distribution can be constructed as a function of momentum transfer parallel to the surface. To illustrate the principle, we experimentally constructed the reciprocal space structure of a commercial graphene/SiO2/Si sample in which the graphene layer was transferred to the SiO2/Si substrate after it was deposited on a Cu foil by chemical vapor deposition. The result reveals a 12-fold symmetry of the graphene layer which is a result of two dominant orientation domains with 30° rotation relative to each other. We show that the graphene can serve as a template to grow other materials such as a SnS film that follows the symmetry of graphene.

  1. Electrons In The Low Density Solar Wind

    NASA Technical Reports Server (NTRS)

    Ogilvie, Keith W.; Desch, Michael; Fitzenreiter, Richard; Vondrak, Richard R. (Technical Monitor)

    2000-01-01

    The recent occurrence of an interval (May 9th to May 12th, 1999) of abnormally low density solar wind has drawn attention to such events. The SWE instrument on the Wind spacecraft observed nine similar events between launch (November 1994) and August 1999: one in 1997, three in 1998, and five in January-August 1999. No such events were observed in 1996, the year of solar minimum. This already suggests a strong dependence upon solar activity. In this paper we discuss observations of the electron strahl, a strong anisotropy in the solar wind electrons above 60 eV directed along the magnetic field and observed continuously during the periods of low density in 1998 and 1999. When the solar wind density was less than 2/cc, the angular width of the strahl was below 3.5 degrees and the temperature deduced from the slope of the electron strahl phase density (as a function of energy in the energy range 200 to 800 eV) was 100 to 150 eV, equivalent to a typical coronal electron temperature. Three examples of this phenomenon, observed on Feb. 20- 22, April 26-27 and May 9-12, 1999, are discussed to show their similarity to one another. These electron observations are interpreted to show that the strahl occurs as a result of the conservation of the first adiabatic invariant, combined with the lack of coulomb collisions as suggested by Fairfield and Scudder, 1985.

  2. Solving structure in the CP29 light harvesting complex with polarization-phased 2D electronic spectroscopy

    PubMed Central

    Ginsberg, Naomi S.; Davis, Jeffrey A.; Ballottari, Matteo; Cheng, Yuan-Chung; Bassi, Roberto; Fleming, Graham R.

    2011-01-01

    The CP29 light harvesting complex from green plants is a pigment-protein complex believed to collect, conduct, and quench electronic excitation energy in photosynthesis. We have spectroscopically determined the relative angle between electronic transition dipole moments of its chlorophyll excitation energy transfer pairs in their local protein environments without relying on simulations or an X-ray crystal structure. To do so, we measure a basis set of polarized 2D electronic spectra and isolate their absorptive components on account of the tensor relation between the light polarization sequences used to obtain them. This broadly applicable advance further enhances the acuity of polarized 2D electronic spectroscopy and provides a general means to initiate or feed back on the structural modeling of electronically-coupled chromophores in condensed phase systems, tightening the inferred relations between the spatial and electronic landscapes of ultrafast energy flow. We also discuss the pigment composition of CP29 in the context of light harvesting, energy channeling, and photoprotection within photosystem II. PMID:21321222

  3. Beyond Graphene: Electronic and Mechanical Properties of Defective 2-D Materials

    NASA Astrophysics Data System (ADS)

    Terrones, Humberto

    One of the challenges in the production of 2-D materials is the synthesis of defect free systems which can achieve the desired properties for novel applications. However, the reality so far indicates that we need to deal with defective systems and understand their main features in order to perform defect engineering in such a way that we can engineer a new material. In this talk I discuss first, the introduction of defects in a hierarchic way starting from 2-D graphene to form giant Schwarzites or graphene foams, which also can exhibit further defects, thus we can have several levels of defectiveness. In this context, it will be shown that giant Schwarzites, depending on their symmetry, can exhibit Dirac-Fermion behavior and further, possess protected topological states as shown by other authors. Regarding the mechanical properties of these systems, it is possible to tune the Poisson Ratio by the addition of defects, thus shedding light to the explanation of the almost zero Poisson ratios in experimentally obtained graphene foams. Second, the idea of Haeckelites, a planar sp2 graphene-like structure with heptagons and pentagons, can be extended to transition metal dichalcogenides (TMDs) with square and octagonal-like defects, finding semi-metallic behaviors with Dirac-Fermions, and even topological insulating properties. National Science Foundation (EFRI-1433311).

  4. Vibrational density of states and thermodynamics at the nanoscale: the 3D-2D transition in gold nanostructures.

    PubMed

    Carles, R; Benzo, P; Pécassou, B; Bonafos, C

    2016-12-16

    Surface enhanced Raman scattering (SERS) is generally and widely used to enhance the vibrational fingerprint of molecules located at the vicinity of noble metal nanoparticles. In this work, SERS is originally used to enhance the own vibrational density of states (VDOS) of nude and isolated gold nanoparticles. This offers the opportunity of analyzing finite size effects on the lattice dynamics which remains unattainable with conventional techniques based on neutron or x-ray inelastic scattering. By reducing the size down to few nanometers, the role of surface atoms versus volume atoms become dominant, and the "text-book" 3D-2D transition on the dynamical behavior is experimentally emphasized. "Anomalies" that have been predicted by a large panel of simulations at the atomic scale, are really observed, like the enhancement of the VDOS at low frequencies or the occurrence of localized modes at frequencies beyond the cut-off in bulk. Consequences on the thermodynamic properties at the nanoscale, like the reduction of the Debye temperature or the excess of the specific heat, have been evaluated. Finally the high sensitivity of reminiscent bulk-like phonons on the arrangements at the atomic scale is used to access the morphology and internal disorder of the nanoparticles.

  5. Vibrational density of states and thermodynamics at the nanoscale: the 3D-2D transition in gold nanostructures

    NASA Astrophysics Data System (ADS)

    Carles, R.; Benzo, P.; Pécassou, B.; Bonafos, C.

    2016-12-01

    Surface enhanced Raman scattering (SERS) is generally and widely used to enhance the vibrational fingerprint of molecules located at the vicinity of noble metal nanoparticles. In this work, SERS is originally used to enhance the own vibrational density of states (VDOS) of nude and isolated gold nanoparticles. This offers the opportunity of analyzing finite size effects on the lattice dynamics which remains unattainable with conventional techniques based on neutron or x-ray inelastic scattering. By reducing the size down to few nanometers, the role of surface atoms versus volume atoms become dominant, and the “text-book” 3D-2D transition on the dynamical behavior is experimentally emphasized. “Anomalies” that have been predicted by a large panel of simulations at the atomic scale, are really observed, like the enhancement of the VDOS at low frequencies or the occurrence of localized modes at frequencies beyond the cut-off in bulk. Consequences on the thermodynamic properties at the nanoscale, like the reduction of the Debye temperature or the excess of the specific heat, have been evaluated. Finally the high sensitivity of reminiscent bulk-like phonons on the arrangements at the atomic scale is used to access the morphology and internal disorder of the nanoparticles.

  6. Vibrational density of states and thermodynamics at the nanoscale: the 3D-2D transition in gold nanostructures

    PubMed Central

    Carles, R.; Benzo, P.; Pécassou, B.; Bonafos, C.

    2016-01-01

    Surface enhanced Raman scattering (SERS) is generally and widely used to enhance the vibrational fingerprint of molecules located at the vicinity of noble metal nanoparticles. In this work, SERS is originally used to enhance the own vibrational density of states (VDOS) of nude and isolated gold nanoparticles. This offers the opportunity of analyzing finite size effects on the lattice dynamics which remains unattainable with conventional techniques based on neutron or x-ray inelastic scattering. By reducing the size down to few nanometers, the role of surface atoms versus volume atoms become dominant, and the “text-book” 3D-2D transition on the dynamical behavior is experimentally emphasized. “Anomalies” that have been predicted by a large panel of simulations at the atomic scale, are really observed, like the enhancement of the VDOS at low frequencies or the occurrence of localized modes at frequencies beyond the cut-off in bulk. Consequences on the thermodynamic properties at the nanoscale, like the reduction of the Debye temperature or the excess of the specific heat, have been evaluated. Finally the high sensitivity of reminiscent bulk-like phonons on the arrangements at the atomic scale is used to access the morphology and internal disorder of the nanoparticles. PMID:27982080

  7. Density Functional Theory Study of Bandgap Modulation of Si2N-h2D Crystal Nanoribbons and Nanotubes Under Elastic Strain

    NASA Astrophysics Data System (ADS)

    Ma, ShengQian; Li, Feng; Geng, JiGuo

    2017-04-01

    Since efficient synthesis of C2N holey two-dimensional (h2D) crystal has been possible, bandgap modulation through use of analogous nanoribbon and nanotube structures has attracted strong interest. In this study, bandgap modulation of Si2N-h2D nanoribbons and nanotubes under elastic strain has been deeply researched using density functional theory calculations. The results indicate that the bandgap of Si2N-h2D nanoribbons and nanotubes in zigzag and armchair configurations can be tuned in both directions, namely by stretching or compressing, in the range of ɛ = ( d - d 0)/ d 0 from -10% to 10%. It is also found that the bandgap of Si2N-h2D nanoribbons and nanotubes varies with their width. Therefore, it is predicted that Si2N-h2D nanoribbons and nanotubes have great potential for application in nanoscale strain sensors and optoelectronics.

  8. Integrating 2-D position sensitive X-ray detectors with low-density alkali halide storage targets

    NASA Astrophysics Data System (ADS)

    Haubold, H.-G.; Hoheisel, W.; Hiller, P.

    1986-05-01

    For the use in scattering experiments with synchrotron radiation, integrating position sensitive X-ray detectors are discussed. These detectors store the photon number equivalent charge (PNEC) in low-density alkali halide targets. Performance tests are given for a detector which uses a Gd 2O 2S fluorescence screen for X-ray detection and the low-density KCl storage target of a television SEC vidicon tube for photon integration. Rather than directly by X-rays, this target is charged by 6 keV electrons from the image intensifier section of the vidicon. Its excellent storage capability allows measurements of extremely high-contrast, high-flux X-ray patterns with the same accuracy as achieved with any single photon detection system if the discussed readout techniques are applied.

  9. Charge density waves in strongly correlated electron systems

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

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

  10. Broadband 2D electronic spectrometer using white light and pulse shaping: noise and signal evaluation at 1 and 100 kHz.

    PubMed

    Kearns, Nicholas M; Mehlenbacher, Randy D; Jones, Andrew C; Zanni, Martin T

    2017-04-03

    We have developed a broad bandwidth two-dimensional electronic spectrometer that operates shot-to-shot at repetition rates up to 100 kHz using an acousto-optic pulse shaper. It is called a two-dimensional white-light (2D-WL) spectrometer because the input is white-light supercontinuum. Methods for 100 kHz data collection are studied to understand how laser noise is incorporated into 2D spectra during measurement. At 100 kHz, shot-to-shot scanning of the delays and phases of the pulses in the pulse sequence produces a 2D spectrum 13-times faster and with the same signal-to-noise as using mechanical stages and a chopper. Comparing 100 to 1 kHz repetition rates, data acquisition time is decreased by a factor of 200, which is beyond the improvement expected by the repetition rates alone due to reduction in 1/f noise. These improvements arise because shot-to-shot readout and modulation of the pulse train at 100 kHz enables the electronic coherences to be measured faster than the decay in correlation between laser intensities. Using white light supercontinuum for the pump and probe pulses produces high signal-to-noise spectra on samples with optical densities <0.1 within a few minutes of averaging and an instrument response time of <46 fs thereby demonstrating that that simple broadband continuum sources, although weak, are sufficient to create high quality 2D spectra with >200 nm bandwidth.

  11. Teaching Chemistry with Electron Density Models

    NASA Astrophysics Data System (ADS)

    Shusterman, Gwendolyn P.; Shusterman, Alan J.

    1997-07-01

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

  12. Electron capture and excitation in collisions of O+ ( 4S , 2D , 2P ) with H2 molecules

    NASA Astrophysics Data System (ADS)

    Pichl, Lukáš; Li, Yan; Liebermann, Heinz-Peter; Buenker, Robert J.; Kimura, Mineo

    2004-06-01

    Using an electronic-state close-coupling method, we treated the electron capture and excitation processes of O+ ions both in ground state O+ ( 4S ) and metastable states O+* ( 2D ) and O+* ( 2P ) in collisions with the H2 molecule. In the ground-state projectile energy region considered (from 50 eV/amu to 10 keV/amu ), the experimental data vary by orders of magnitude: our results smoothly connect to the data by FleschNg, J. Chem. Phys.9419912372 and Xuet al., J. Phys. B2319901235 at low energy and agree with Phaneufet al., Phys. Rev. A171978534 in the high-energy region. The present values differ from Sieglaffet al., Phys. Rev. A5919993538 and Nuttet al., J. Phys. B121979L157, especially in the energy region below 1 keV/amu . We provide the first calculated state-resolved cross sections of electron capture and target-projectile electronic excitations for the O+ ( 4S , 2D , 2P )- H2 collision system.

  13. Angle-resolved 2D imaging of electron emission processes in atoms and molecules

    SciTech Connect

    Kukk, E.; Wills, A.A.; Langer, B.; Bozek, J.D.; Berrah, N.

    2004-09-02

    A variety of electron emission processes have been studied in detail for both atomic and molecular systems, using a highly efficient experimental system comprising two time-of-flight (TOF) rotatable electron energy analyzers and a 3rd generation synchrotron light source. Two examples are used here to illustrate the obtained results. Firstly, electron emissions in the HCL molecule have been mapped over a 14 eV wide photon energy range over the Cl 2p ionization threshold. Particular attention is paid to the dissociative core-excited states, for which the Auger electron emission shows photon energy dependent features. Also, the evolution of resonant Auger to the normal Auger decay distorted by post-collision interaction has been observed and the resonating behavior of the valence photoelectron lines studied. Secondly, an atomic system, neon, in which excitation of doubly excited states and their subsequent decay to various accessible ionic states has been studied. Since these processes only occurs via inter-electron correlations, the many body dynamics of an atom can be probed, revealing relativistic effects, surprising in such a light atom. Angular distribution of the decay of the resonances to the parity unfavored continuum exhibits significant deviation from the LS coupling predictions.

  14. Multi-field electron emission pattern of 2D emitter: Illustrated with graphene

    NASA Astrophysics Data System (ADS)

    Luo, Ma; Li, Zhibing

    2016-11-01

    The mechanism of laser-assisted multi-field electron emission of two-dimensional emitters is investigated theoretically. The process is basically a cold field electron emission but having more controllable components: a uniform electric field controls the emission potential barrier, a magnetic field controls the quantum states of the emitter, while an optical field controls electron populations of specified quantum states. It provides a highly orientational vacuum electron line source whose divergence angle over the beam plane is inversely proportional to square root of the emitter height. Calculations are carried out for graphene with the armchair emission edge, as a concrete example. The rate equation incorporating the optical excitation, phonon scattering, and thermal relaxation is solved in the quasi-equilibrium approximation for electron population in the bands. The far-field emission patterns, that inherit the features of the Landau bands, are obtained. It is found that the optical field generates a characteristic structure at one wing of the emission pattern.

  15. Single crystal diamond boron 'delta doped' nanometric layers for 2D electronic devices (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Butler, James

    2016-10-01

    Use of diamond as a semiconductor material suffers from the high activation energy of all known impurity dopants (0.37 eV for Boron, 0.6 eV for Phosphorous). To achieve the simultaneous carrier concentration and mobility desired for devices operating at room temperature, growth of a nanometric thick `delta' layer doped to above the metal insulator transition adjacent to high mobility intrinsic material can provide a 2D high mobility conduction layer. Critical to obtaining the enhanced mobility of the carriers in the layer next to the `delta' doped layer is the abruptness of the doping interface. Single and multiple nanometer thick epitaxial layers of heavily boron `delta' doped diamond have been grown on high quality, intrinsic lab grown diamond single crystals. These layers were grown in a custom microwave plasma activated chemical vapor deposition reactor based on a rapid reactant switching technique. Characterization of the `delta' layers by various analytical techniques will be presented. Electrical measurements demonstrating enhanced hole mobility (100 to 800 cm2/V sec) as well as other electrical characterizations will be presented.

  16. Electron correlation by polarization of interacting densities

    NASA Astrophysics Data System (ADS)

    Whitten, Jerry L.

    2017-02-01

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

  17. Electron Density Profiles of the Topside Ionosphere

    NASA Technical Reports Server (NTRS)

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

    2002-01-01

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

  18. A Fast Parallel Algorithm for Selected Inversion of Structured Sparse Matrices with Application to 2D Electronic Structure Calculations

    SciTech Connect

    Lin, Lin; Yang, Chao; Lu, Jiangfeng; Ying, Lexing; E, Weinan

    2009-09-25

    We present an efficient parallel algorithm and its implementation for computing the diagonal of $H^-1$ where $H$ is a 2D Kohn-Sham Hamiltonian discretized on a rectangular domain using a standard second order finite difference scheme. This type of calculation can be used to obtain an accurate approximation to the diagonal of a Fermi-Dirac function of $H$ through a recently developed pole-expansion technique \\cite{LinLuYingE2009}. The diagonal elements are needed in electronic structure calculations for quantum mechanical systems \\citeHohenbergKohn1964, KohnSham 1965,DreizlerGross1990. We show how elimination tree is used to organize the parallel computation and how synchronization overhead is reduced by passing data level by level along this tree using the technique of local buffers and relative indices. We analyze the performance of our implementation by examining its load balance and communication overhead. We show that our implementation exhibits an excellent weak scaling on a large-scale high performance distributed parallel machine. When compared with standard approach for evaluating the diagonal a Fermi-Dirac function of a Kohn-Sham Hamiltonian associated a 2D electron quantum dot, the new pole-expansion technique that uses our algorithm to compute the diagonal of $(H-z_i I)^-1$ for a small number of poles $z_i$ is much faster, especially when the quantum dot contains many electrons.

  19. Tunable Plasmonic Reflection by Bound 1D Electron States in a 2D Dirac Metal

    NASA Astrophysics Data System (ADS)

    Jiang, B.-Y.; Ni, G. X.; Pan, C.; Fei, Z.; Cheng, B.; Lau, C. N.; Bockrath, M.; Basov, D. N.; Fogler, M. M.

    2016-08-01

    We show that the surface plasmons of a two-dimensional Dirac metal such as graphene can be reflected by linelike perturbations hosting one-dimensional electron states. The reflection originates from a strong enhancement of the local optical conductivity caused by optical transitions involving these bound states. We propose that the bound states can be systematically created, controlled, and liquidated by an ultranarrow electrostatic gate. Using infrared nanoimaging, we obtain experimental evidence for the locally enhanced conductivity of graphene induced by a carbon nanotube gate, which supports this theoretical concept.

  20. Tunable Plasmonic Reflection by Bound 1D Electron States in a 2D Dirac Metal.

    PubMed

    Jiang, B-Y; Ni, G X; Pan, C; Fei, Z; Cheng, B; Lau, C N; Bockrath, M; Basov, D N; Fogler, M M

    2016-08-19

    We show that the surface plasmons of a two-dimensional Dirac metal such as graphene can be reflected by linelike perturbations hosting one-dimensional electron states. The reflection originates from a strong enhancement of the local optical conductivity caused by optical transitions involving these bound states. We propose that the bound states can be systematically created, controlled, and liquidated by an ultranarrow electrostatic gate. Using infrared nanoimaging, we obtain experimental evidence for the locally enhanced conductivity of graphene induced by a carbon nanotube gate, which supports this theoretical concept.

  1. Electron dose distributions in experimental phantoms: a comparison with 2D pencil beam calculations.

    PubMed

    Cygler, J; Battista, J J; Scrimger, J W; Mah, E; Antolak, J

    1987-09-01

    Dose distributions were measured and computed within inhomogeneous phantoms irradiated with beams of electrons having initial energies of 10 and 18 MeV. The measurements were made with a small p-type silicon diode and the calculations were performed using the pencil beam algorithm developed originally at the M D Anderson Hospital (MDAH). This algorithm, which is available commercially on many radiotherapy planning computers, is based on the Fermi-Eyges theory of electron transport. The phantoms used in this work were composed of water into which two- and three-dimensional inhomogeneities of aluminum and air (embedded in wax) were introduced. This was done in order to simulate the small bones and the air cavities encountered clinically in radiation therapy of the chest wall or neck. Our intent was to test the adequacy of the two-dimensional implementation of the pencil beam approach. The agreement between measured and computed doses is very good for inhomogeneities which are essentially two-dimensional but discrepancies as large as 40% were observed for more complex three-dimensional inhomogeneities. We can only trace the discrepancies to the complex interplay of numerous approximations in the Fermi-Eyges theory of multiple scattering and its adaptation for practical computer-aided radiotherapy planning.

  2. Orbital dependent Rashba splitting and electron-phonon coupling of 2D Bi phase on Cu(100) surface

    SciTech Connect

    Gargiani, Pierluigi; Lisi, Simone; Betti, Maria Grazia; Ibrahimi, Amina Taleb; Bertran, François; Le Fèvre, Patrick; Chiodo, Letizia

    2013-11-14

    A monolayer of bismuth deposited on the Cu(100) surface forms a highly ordered c(2×2) reconstructed phase. The low energy single particle excitations of the c(2×2) Bi/Cu(100) present Bi-induced states with a parabolic dispersion in the energy region close to the Fermi level, as observed by angle-resolved photoemission spectroscopy. The electronic state dispersion, the charge density localization, and the spin-orbit coupling have been investigated combining photoemission spectroscopy and density functional theory, unraveling a two-dimensional Bi phase with charge density well localized at the interface. The Bi-induced states present a Rashba splitting, when the charge density is strongly localized in the Bi plane. Furthermore, the temperature dependence of the spectral density close to the Fermi level has been evaluated. Dispersive electronic states offer a large number of decay channels for transitions coupled to phonons and the strength of the electron-phonon coupling for the Bi/Cu(100) system is shown to be stronger than for Bi surfaces and to depend on the electronic state symmetry and localization.

  3. Iterative Stable Alignment and Clustering of 2D Transmission Electron Microscope Images

    PubMed Central

    Yang, Zhengfan; Fang, Jia; Chittuluru, Johnathan; Asturias, Francisco J.; Penczek, Pawel A.

    2012-01-01

    SUMMARY Identification of homogeneous subsets of images in a macromolecular electron microscopy (EM) image data set is a critical step in single-particle analysis. The task is handled by iterative algorithms, whose performance is compromised by the compounded limitations of image alignment and K-means clustering. Here we describe an approach, iterative stable alignment and clustering (ISAC) that, relying on a new clustering method and on the concepts of stability and reproducibility, can extract validated, homogeneous subsets of images. ISAC requires only a small number of simple parameters and, with minimal human intervention, can eliminate bias from two-dimensional image clustering and maximize the quality of group averages that can be used for ab initio three-dimensional structural determination and analysis of macromolecular conformational variability. Repeated testing of the stability and reproducibility of a solution within ISAC eliminates heterogeneous or incorrect classes and introduces critical validation to the process of EM image clustering. PMID:22325773

  4. Parallel Finite Element Electron-Photon Transport Analysis on 2-D Unstructured Mesh

    SciTech Connect

    Drumm, C.R.

    1999-01-01

    A computer code has been developed to solve the linear Boltzmann transport equation on an unstructured mesh of triangles, from a Pro/E model. An arbitriwy arrangement of distinct material regions is allowed. Energy dependence is handled by solving over an arbitrary number of discrete energy groups. Angular de- pendence is treated by Legendre-polynomial expansion of the particle cross sections and a discrete ordinates treatment of the particle fluence. The resulting linear system is solved in parallel with a preconditioned conjugate-gradients method. The solution method is unique, in that the space-angle dependence is solved si- multaneously, eliminating the need for the usual inner iterations. Electron cross sections are obtained from a Goudsrnit-Saunderson modifed version of the CEPXS code. A one-dimensional version of the code has also been develop@ for testing and development purposes.

  5. Quantum magnetotransport in 2D electron gas in InGaAs/InP heterostructures

    NASA Astrophysics Data System (ADS)

    Podor, Balint; Savel'ev, I. G.; Kovacs, Gy.; Remenyi, G.; Gombos, G.; Kreshchuk, A. M.; Novikov, S. V.

    1997-08-01

    Quantum magnetotransport measurements were performed on liquid phase epitaxially grown In0.35Ga0.47As/InP heterostructures at 4.2 K temperature in magnetic fields up to 22 Tesla. Measurements in tilted magnetic field, in conjunction with the analysis of the derivatives with respect to the magnetic field of the magnetoresistance curves, allowed the resolution of spin-splitting of the Landau levels up to N equals 3. The spin-splitting energy ESPIN was deduced for the half-filled Landau levels 0ARDN, 1ARUP, 1ARDN, 2ARUP, and 2$ARDN. The magnetic field dependence of the spin-splitting energy was interpreted using a simple model based on the exchange interaction of the electrons in the spin-splitted Landau levels, incorporating the disorder induced broadening of the Landau levels.

  6. Electron radiation damage mechanisms in 2D MoSe2

    NASA Astrophysics Data System (ADS)

    Lehnert, T.; Lehtinen, O.; Algara-Siller, G.; Kaiser, U.

    2017-01-01

    The contributions of different damage mechanisms in single-layer MoSe2 were studied by investigating different MoSe2/graphene heterostructures by the aberration-corrected high-resolution transmission electron microscopy (AC-HRTEM) at 80 keV. The damage cross-sections were determined by direct counting of atoms in the AC-HRTEM images. The contributions of damage mechanisms such as knock-on damage or ionization effects were estimated by comparing the damage rates in different heterostructure configurations, similarly to what has been earlier done with MoS2. The behaviour of MoSe2 was found to be nearly identical to that of MoS2, which is an unexpected result, as the knock-on mechanism should be suppressed in MoSe2 due to the high mass of Se, as compared to S.

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

    NASA Astrophysics Data System (ADS)

    Lee, J.

    2015-12-01

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

  8. The electronic structure and spin states of 2D graphene/VX2 (X = S, Se) heterostructures.

    PubMed

    Popov, Z I; Mikhaleva, N S; Visotin, M A; Kuzubov, A A; Entani, S; Naramoto, H; Sakai, S; Sorokin, P B; Avramov, P V

    2016-12-07

    The structural, magnetic and electronic properties of 2D VX2 (X = S, Se) monolayers and graphene/VX2 heterostructures were studied using a DFT+U approach. It was found that the stability of the 1T phases of VX2 monolayers is linked to strong electron correlation effects. The study of vertical junctions comprising of graphene and VX2 monolayers demonstrated that interlayer interactions lead to the formation of strong spin polarization of both graphene and VX2 fragments while preserving the linear dispersion of graphene-originated bands. It was found that the insertion of Mo atoms between the layers leads to n-doping of graphene with a selective transformation of graphene bands keeping the spin-down Dirac cone intact.

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  10. Influence of weak vibrational-electronic couplings on 2D electronic spectra and inter-site coherence in weakly coupled photosynthetic complexes

    NASA Astrophysics Data System (ADS)

    Monahan, Daniele M.; Whaley-Mayda, Lukas; Ishizaki, Akihito; Fleming, Graham R.

    2015-08-01

    Coherence oscillations measured in two-dimensional (2D) electronic spectra of pigment-protein complexes may have electronic, vibrational, or mixed-character vibronic origins, which depend on the degree of electronic-vibrational mixing. Oscillations from intrapigment vibrations can obscure the inter-site coherence lifetime of interest in elucidating the mechanisms of energy transfer in photosynthetic light-harvesting. Huang-Rhys factors (S) for low-frequency vibrations in Chlorophyll and Bacteriochlorophyll are quite small (S ≤ 0.05), so it is often assumed that these vibrations influence neither 2D spectra nor inter-site coherence dynamics. In this work, we explore the influence of S within this range on the oscillatory signatures in simulated 2D spectra of a pigment heterodimer. To visualize the inter-site coherence dynamics underlying the 2D spectra, we introduce a formalism which we call the "site-probe response." By comparing the calculated 2D spectra with the site-probe response, we show that an on-resonance vibration with Huang-Rhys factor as small as S = 0.005 and the most strongly coupled off-resonance vibrations (S = 0.05) give rise to long-lived, purely vibrational coherences at 77 K. We moreover calculate the correlation between optical pump interactions and subsequent entanglement between sites, as measured by the concurrence. At 77 K, greater long-lived inter-site coherence and entanglement appear with increasing S. This dependence all but vanishes at physiological temperature, as environmentally induced fluctuations destroy the vibronic mixing.

  11. Influence of weak vibrational-electronic couplings on 2D electronic spectra and inter-site coherence in weakly coupled photosynthetic complexes

    SciTech Connect

    Monahan, Daniele M.; Whaley-Mayda, Lukas; Fleming, Graham R.; Ishizaki, Akihito

    2015-08-14

    Coherence oscillations measured in two-dimensional (2D) electronic spectra of pigment-protein complexes may have electronic, vibrational, or mixed-character vibronic origins, which depend on the degree of electronic-vibrational mixing. Oscillations from intrapigment vibrations can obscure the inter-site coherence lifetime of interest in elucidating the mechanisms of energy transfer in photosynthetic light-harvesting. Huang-Rhys factors (S) for low-frequency vibrations in Chlorophyll and Bacteriochlorophyll are quite small (S ≤ 0.05), so it is often assumed that these vibrations influence neither 2D spectra nor inter-site coherence dynamics. In this work, we explore the influence of S within this range on the oscillatory signatures in simulated 2D spectra of a pigment heterodimer. To visualize the inter-site coherence dynamics underlying the 2D spectra, we introduce a formalism which we call the “site-probe response.” By comparing the calculated 2D spectra with the site-probe response, we show that an on-resonance vibration with Huang-Rhys factor as small as S = 0.005 and the most strongly coupled off-resonance vibrations (S = 0.05) give rise to long-lived, purely vibrational coherences at 77 K. We moreover calculate the correlation between optical pump interactions and subsequent entanglement between sites, as measured by the concurrence. At 77 K, greater long-lived inter-site coherence and entanglement appear with increasing S. This dependence all but vanishes at physiological temperature, as environmentally induced fluctuations destroy the vibronic mixing.

  12. Electron densities of three B12 vitamins.

    PubMed

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

    2009-07-23

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

  13. High Density Mastering Using Electron Beam

    NASA Astrophysics Data System (ADS)

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

    1998-04-01

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

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

    PubMed

    Lüchow, Arne; Petz, René

    2011-09-01

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

  15. Hartree-Fock Solutions of 2d Interacting Tight-Binding Electrons: Mott Properties and Room Temperature Superconductivity Indications

    NASA Astrophysics Data System (ADS)

    Cabo Montes de Oca, A.; March, N. H.; Cabo-Bizet, A.

    2014-12-01

    Former results for a tight-binding (TB) model of CuO planes in La2CuO4 are reinterpreted here to underline their wider implications. It is noted that physical systems being appropriately described by the TB model can exhibit the main strongly correlated electron system (SCES) properties, when they are solved in the HF approximation, by also allowing crystal symmetry breaking effects and noncollinear spin orientations of the HF orbitals. It is argued how a simple 2D square lattice system of Coulomb interacting electrons can exhibit insulator gaps and pseudogap states, and quantum phase transitions as illustrated by the mentioned former works. A discussion is also presented here indicating the possibility of attaining room temperature superconductivity, by means of a surface coating with water molecules of cleaved planes of graphite, being orthogonal to its c-axis. The possibility that 2D arrays of quantum dots can give rise to the same effect is also proposed to consideration. The analysis also furnishes theoretical insight to solve the Mott-Slater debate, at least for the La2CuO4 and TMO band structures. The idea is to apply a properly noncollinear GW scheme to the electronic structure calculation of these materials. The fact is that the GW approach can be viewed as a HF procedure in which the screening polarization is also determined. This directly indicates the possibility of predicting the assumed dielectric constant in the previous works. Thus, the results seem to identify that the main correlation properties in these materials are determined by screening. Finally, the conclusions also seem to be of help for the description of the experimental observations of metal-insulator transitions and Mott properties in atoms trapped in planar photonic lattices.

  16. Electron density measurements for plasma adaptive optics

    NASA Astrophysics Data System (ADS)

    Neiswander, Brian W.

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

  17. 2D ACAR momentum density study of the nature of the positron surface state on Al(100)

    SciTech Connect

    Berko, S.; Canter, K.F.; Lynn, K.G.; Mills, A.P.; Roellig, L.O.; West, R.N.

    1985-01-01

    The two-dimensional angular correlation of the 2..gamma.. annihilation radiation (2D ACAR) has been measured from an Al(100) surface bombarded by 200-eV positrons. After removing the contribution of fast para-positronium annihilation, the spectrum from positrons annihilating at the surface exhibits a nearly isotropic conical shape with a (7.1 +- 0.5) mrad FWHM. 5 refs., 6 figs.

  18. A Stochastic Hill Climbing Approach for Simultaneous 2D Alignment and Clustering of Cryogenic Electron Microscopy Images.

    PubMed

    Reboul, Cyril F; Bonnet, Frederic; Elmlund, Dominika; Elmlund, Hans

    2016-06-07

    A critical step in the analysis of novel cryogenic electron microscopy (cryo-EM) single-particle datasets is the identification of homogeneous subsets of images. Methods for solving this problem are important for data quality assessment, ab initio 3D reconstruction, and analysis of population diversity due to the heterogeneous nature of macromolecules. Here we formulate a stochastic algorithm for identification of homogeneous subsets of images. The purpose of the method is to generate improved 2D class averages that can be used to produce a reliable 3D starting model in a rapid and unbiased fashion. We show that our method overcomes inherent limitations of widely used clustering approaches and proceed to test the approach on six publicly available experimental cryo-EM datasets. We conclude that, in each instance, ab initio 3D reconstructions of quality suitable for initialization of high-resolution refinement are produced from the cluster centers.

  19. Electronic absorption spectra of C60+ -L (L = He, Ne, Ar, Kr, H2, D2, N2) complexes

    NASA Astrophysics Data System (ADS)

    Holz, Mathias; Campbell, Ewen Kyle; Rice, Corey Allen; Maier, John Paul

    2017-02-01

    Electronic spectra in the near infrared of C60+ with He, Ne, Ar, Kr, H2, D2 and N2 attached have been recorded below 10 K in a cryogenic radio frequency ion trap. Additional absorption bands are observed compared to the spectrum of C60+ -He. In the case of C60+ -N2, the strongest one of these shifts to lower energies by 21.3 cm-1 compared to the origin band of C60+ -He at 10378.5 cm-1. The pattern in the spectrum is dependent on the attached ligand. The gas-phase observations on C60+ -Ne allow a rationalization of the relative intensities of the absorptions of C60+ in a neon matrix.

  20. Photogalvanic effects originating from the violation of the Einstein relation in a 2D electron gas in high Landau levels

    NASA Astrophysics Data System (ADS)

    Dmitriev, Ivan

    2010-03-01

    This talk will present a quantum kinetic theory [1] of the microwave-induced photocurrent and photovoltage magnetooscillations emerging in a spatially nonuniform 2D electron system in the absence of external dc driving [2]. It will show that in an irradiated sample the Landau quantization leads to violation of the Einstein relation between the dc conductivity and diffusion coefficient. Then, in the presence of a built-in electric field in a sample, the microwave illumination causes photo-galvanic signals which oscillate as a function of magnetic field as observed in the experiment. The discussed effects should also play an essential role for the transport in the zero resistance states where the system breaks into current domains and peculiarities of the transport properties of the inhomogeneous system become of central importance.[1] I. A. Dmitriev, S. I. Dorozhkin, and A. D. Mirlin, ``Theory of microwave-induced photocurrent and photovoltage magneto-oscillations in a spatially nonuniform two-dimensional electron gas '', Phys. Rev. B 80, 125418 (2009).[2] S. I. Dorozhkin, I. V. Pechenezhskiy, L. N. Pfeiffer, K. W. West, V. Umansky, K. von Klitzing, and J. H. Smet, ``Photocurrent and Photovoltage Oscillations in the Two-Dimensional Electron System: Enhancement and Suppression of Built-In Electric Fields'', Phys. Rev.Lett. 102, 036602 (2009).

  1. Terahertz-Induced Magnetoresistance Oscillations in High-Mobility 2D Electron Systems Under Bichromatic and Multichromatic Excitation

    NASA Astrophysics Data System (ADS)

    Iñarrea, Jesus

    2017-01-01

    In this work, we investigated the magnetotransport under terahertz radiation in high-mobility two-dimensional electron systems, focusing on irradiation by bichromatic and multichromatic terahertz sources. We observed strong modulation of the Shubnikov-de Haas oscillations at sufficient terahertz radiation power. We determined that the origin of the modulation was the interference between the average distance advanced by the scattered electrons between irradiated Landau states and the available initial density of states at a certain magnetic field. In the case of multifrequency illumination, we found that with the appropriate frequencies, the irradiated magnetoresistance could reach an almost zero-resistance state regime even at moderate radiation power.

  2. Comparisons of ionospheric electron density distributions reconstructed by GPS computerized tomography, backscatter ionograms, and vertical ionograms

    NASA Astrophysics Data System (ADS)

    Zhou, Chen; Lei, Yong; Li, Bofeng; An, Jiachun; Zhu, Peng; Jiang, Chunhua; Zhao, Zhengyu; Zhang, Yuannong; Ni, Binbin; Wang, Zemin; Zhou, Xuhua

    2015-12-01

    Global Positioning System (GPS) computerized ionosphere tomography (CIT) and ionospheric sky wave ground backscatter radar are both capable of measuring the large-scale, two-dimensional (2-D) distributions of ionospheric electron density (IED). Here we report the spatial and temporal electron density results obtained by GPS CIT and backscatter ionogram (BSI) inversion for three individual experiments. Both the GPS CIT and BSI inversion techniques demonstrate the capability and the consistency of reconstructing large-scale IED distributions. To validate the results, electron density profiles obtained from GPS CIT and BSI inversion are quantitatively compared to the vertical ionosonde data, which clearly manifests that both methods output accurate information of ionopsheric electron density and thereby provide reliable approaches to ionospheric soundings. Our study can improve current understanding of the capability and insufficiency of these two methods on the large-scale IED reconstruction.

  3. Bcs-Bose Crossover Picture for a 2d Electron Gas with a Finite-Range Attractive Interfermion Interaction

    NASA Astrophysics Data System (ADS)

    Solís, Miguel A.; Sevilla, Francisco J.; Fortes, Mauricio; de Llano, Manuel

    2002-03-01

    Cooper pair formation is studied in a 2D electron gas interacting pairwise through a finite-range, separable interfermion potential in wavevector space V_ kk^' =-(v_0/L^2)g_kg_k^' , where L^2 is the system area, v0 >= 0 the interaction strength, g_k≡ (1+k^2/k_0^2)-1/2 with k0 the inverse interaction range. The interaction strength v0 is eliminated [1] in favor of the (positive) binding energy B2 of an electron pair in vacuum under the same interfermion interaction. For finite range, i.e., 1/k_0>0, we report numerical calculations of the gap, the critical temperature and the chemical potential as functions of B2 and 1/k_0. For k_0= ∞ or zero-range (viz., a delta potential well) we recover at T=0 the well-known Miyake [2] results. Finally, the gap-to-Tc ratio is exhibited as a function of B2 and compared with other calculations as well as with empirical values for cuprate superconductors. [1] S.K. Adhikari, M. Casas, A. Puente, A. Rigo, M. Fortes, M.A. Solís, M. de Llano, A.A. Valladares and O. Rojo, Phys. Rev. B 62, 8671 (2000). [2] K. Miyake, Prog. Theor. Phys. 69, 1794 (1983). We thank UNAM-DGAPA-PAPIIT # IN102198 and CONACyT # 27828E for partial support.

  4. Energy transfer dynamics in trimers and aggregates of light-harvesting complex II probed by 2D electronic spectroscopy

    SciTech Connect

    Enriquez, Miriam M.; Zhang, Cheng; Tan, Howe-Siang; Akhtar, Parveen; Garab, Győző; Lambrev, Petar H.

    2015-06-07

    The pathways and dynamics of excitation energy transfer between the chlorophyll (Chl) domains in solubilized trimeric and aggregated light-harvesting complex II (LHCII) are examined using two-dimensional electronic spectroscopy (2DES). The LHCII trimers and aggregates exhibit the unquenched and quenched excitonic states of Chl a, respectively. 2DES allows direct correlation of excitation and emission energies of coupled states over population time delays, hence enabling mapping of the energy flow between Chls. By the excitation of the entire Chl b Q{sub y} band, energy transfer from Chl b to Chl a states is monitored in the LHCII trimers and aggregates. Global analysis of the two-dimensional (2D) spectra reveals that energy transfer from Chl b to Chl a occurs on fast and slow time scales of 240–270 fs and 2.8 ps for both forms of LHCII. 2D decay-associated spectra resulting from the global analysis identify the correlation between Chl states involved in the energy transfer and decay at a given lifetime. The contribution of singlet–singlet annihilation on the kinetics of Chl energy transfer and decay is also modelled and discussed. The results show a marked change in the energy transfer kinetics in the time range of a few picoseconds. Owing to slow energy equilibration processes, long-lived intermediate Chl a states are present in solubilized trimers, while in aggregates, the population decay of these excited states is significantly accelerated, suggesting that, overall, the energy transfer within the LHCII complexes is faster in the aggregated state.

  5. Energy transfer dynamics in trimers and aggregates of light-harvesting complex II probed by 2D electronic spectroscopy.

    PubMed

    Enriquez, Miriam M; Akhtar, Parveen; Zhang, Cheng; Garab, Győző; Lambrev, Petar H; Tan, Howe-Siang

    2015-06-07

    The pathways and dynamics of excitation energy transfer between the chlorophyll (Chl) domains in solubilized trimeric and aggregated light-harvesting complex II (LHCII) are examined using two-dimensional electronic spectroscopy (2DES). The LHCII trimers and aggregates exhibit the unquenched and quenched excitonic states of Chl a, respectively. 2DES allows direct correlation of excitation and emission energies of coupled states over population time delays, hence enabling mapping of the energy flow between Chls. By the excitation of the entire Chl b Qy band, energy transfer from Chl b to Chl a states is monitored in the LHCII trimers and aggregates. Global analysis of the two-dimensional (2D) spectra reveals that energy transfer from Chl b to Chl a occurs on fast and slow time scales of 240-270 fs and 2.8 ps for both forms of LHCII. 2D decay-associated spectra resulting from the global analysis identify the correlation between Chl states involved in the energy transfer and decay at a given lifetime. The contribution of singlet-singlet annihilation on the kinetics of Chl energy transfer and decay is also modelled and discussed. The results show a marked change in the energy transfer kinetics in the time range of a few picoseconds. Owing to slow energy equilibration processes, long-lived intermediate Chl a states are present in solubilized trimers, while in aggregates, the population decay of these excited states is significantly accelerated, suggesting that, overall, the energy transfer within the LHCII complexes is faster in the aggregated state.

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

    SciTech Connect

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

    2015-10-28

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

  7. Dopamine D1, D2, D3 Receptors, Vesicular Monoamine Transporter Type-2 (VMAT2) and Dopamine Transporter (DAT) Densities in Aged Human Brain

    PubMed Central

    Sun, Jianjun; Xu, Jinbin; Cairns, Nigel J.; Perlmutter, Joel S.; Mach, Robert H.

    2012-01-01

    The dopamine D1, D2, D3 receptors, vesicular monoamine transporter type-2 (VMAT2), and dopamine transporter (DAT) densities were measured in 11 aged human brains (aged 77–107.8, mean: 91 years) by quantitative autoradiography. The density of D1 receptors, VMAT2, and DAT was measured using [3H]SCH23390, [3H]dihydrotetrabenazine, and [3H]WIN35428, respectively. The density of D2 and D3 receptors was calculated using the D3-preferring radioligand, [3H]WC-10 and the D2-preferring radioligand [3H]raclopride using a mathematical model developed previously by our group. Dopamine D1, D2, and D3 receptors are extensively distributed throughout striatum; the highest density of D3 receptors occurred in the nucleus accumbens (NAc). The density of the DAT is 10–20-fold lower than that of VMAT2 in striatal regions. Dopamine D3 receptor density exceeded D2 receptor densities in extrastriatal regions, and thalamus contained a high level of D3 receptors with negligible D2 receptors. The density of dopamine D1 linearly correlated with D3 receptor density in the thalamus. The density of the DAT was negligible in the extrastriatal regions whereas the VMAT2 was expressed in moderate density. D3 receptor and VMAT2 densities were in similar level between the aged human and aged rhesus brain samples, whereas aged human brain samples had lower range of densities of D1 and D2 receptors and DAT compared with the aged rhesus monkey brain. The differential density of D3 and D2 receptors in human brain will be useful in the interpretation of PET imaging studies in human subjects with existing radiotracers, and assist in the validation of newer PET radiotracers having a higher selectivity for dopamine D2 or D3 receptors. PMID:23185343

  8. A 2D simulation study of Langmuir, whistler, and cyclotron maser instabilities induced by an electron ring-beam distribution

    SciTech Connect

    Lee, K. H.; Lee, L. C.; Omura, Y.

    2011-09-15

    We carried out a series of 2D simulations to study the beam instability and cyclotron maser instability (CMI) with the initial condition that a population of tenuous energetic electrons with a ring-beam distribution is present in a magnetized background plasma. In this paper, weakly relativistic cases are discussed with the ring-beam kinetic energy ranging from 25 to 100 keV. The beam component leads to the two-stream or beam instability at an earlier stage, and the beam mode is coupled with Langmuir or whistler mode, leading to excitation of beam-Langmuir or beam-whistler waves. When the beam velocity is large with a strong beam instability, the initial ring-beam distribution is diffused in the parallel direction rapidly. The diffused distribution may still support CMI to amplify the X1 mode (the fundamental X mode). On the contrary, when the beam velocity is small and the beam instability is weak, CMI can amplify the Z1 (the fundamental Z mode) effectively while the O1 (the fundamental O mode) and X2 (the second harmonic X mode) modes are very weak and the X1 mode is not excited. In this report, different cases with various parameters are presented and discussed for a comprehensive understanding of ring-beam instabilities.

  9. Charge balancing in GaN-based 2-D electron gas devices employing an additional 2-D hole gas and its influence on dynamic behaviour of GaN-based heterostructure field effect transistors

    SciTech Connect

    Hahn, Herwig Reuters, Benjamin; Geipel, Sascha; Schauerte, Meike; Kalisch, Holger; Vescan, Andrei; Benkhelifa, Fouad; Ambacher, Oliver

    2015-03-14

    GaN-based heterostructure FETs (HFETs) featuring a 2-D electron gas (2DEG) can offer very attractive device performance for power-switching applications. This performance can be assessed by evaluation of the dynamic on-resistance R{sub on,dyn} vs. the breakdown voltage V{sub bd}. In literature, it has been shown that with a high V{sub bd}, R{sub on,dyn} is deteriorated. The impairment of R{sub on,dyn} is mainly driven by electron injection into surface, barrier, and buffer traps. Electron injection itself depends on the electric field which typically peaks at the gate edge towards the drain. A concept suitable to circumvent this issue is the charge-balancing concept which employs a 2-D hole gas (2DHG) on top of the 2DEG allowing for the electric field peak to be suppressed. Furthermore, the 2DEG concentration in the active channel cannot decrease by a change of the surface potential. Hence, beside an improvement in breakdown voltage, also an improvement in dynamic behaviour can be expected. Whereas the first aspect has already been demonstrated, the second one has not been under investigation so far. Hence, in this report, the effect of charge-balancing is discussed and its impact on the dynamic characteristics of HFETs is evaluated. It will be shown that with appropriate device design, the dynamic behaviour of HFETs can be improved by inserting an additional 2DHG.

  10. Real-time observation of multiexcitonic states in ultrafast singlet fission using coherent 2D electronic spectroscopy.

    PubMed

    Bakulin, Artem A; Morgan, Sarah E; Kehoe, Tom B; Wilson, Mark W B; Chin, Alex W; Zigmantas, Donatas; Egorova, Dassia; Rao, Akshay

    2016-01-01

    Singlet fission is the spin-allowed conversion of a spin-singlet exciton into a pair of spin-triplet excitons residing on neighbouring molecules. To rationalize this phenomenon, a multiexcitonic spin-zero triplet-pair state has been hypothesized as an intermediate in singlet fission. However, the nature of the intermediate states and the underlying mechanism of ultrafast fission have not been elucidated experimentally. Here, we study a series of pentacene derivatives using ultrafast two-dimensional electronic spectroscopy and unravel the origin of the states involved in fission. Our data reveal the crucial role of vibrational degrees of freedom coupled to electronic excitations that facilitate the mixing of multiexcitonic states with singlet excitons. The resulting manifold of vibronic states drives sub-100 fs fission with unity efficiency. Our results provide a framework for understanding singlet fission and show how the formation of vibronic manifolds with a high density of states facilitates fast and efficient electronic processes in molecular systems.

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

    NASA Astrophysics Data System (ADS)

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

    2014-10-01

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

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

    NASA Technical Reports Server (NTRS)

    Stick, T. L.

    1976-01-01

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

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

    SciTech Connect

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

    2012-09-24

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

  14. Non-linear transport in microwave-irradiated 2D electron systems at the cyclotron resonance subharmonics

    NASA Astrophysics Data System (ADS)

    Chiang, Hung-Sheng; Hatke, Anthony; Zudov, Michael; Pfeiffer, Loren; West, Ken

    2009-03-01

    We study microwave photoresistivity oscillations in a high mobility two-dimensional electron system subject to strong dc electric fields. We find [1] that near the second subharmonic of the cyclotron resonance the frequency of the resistivity oscillations with dc electric field is twice the frequency of the oscillations at the cyclotron resonance, its harmonics, or in the absence of microwave radiation. This observation is discussed in terms of the microwave-induced sidebands in the density of states and the interplay between different scattering processes in the separated Landau level regime. [1] A. T. Hatke, H.-S. Chiang, M. A. Zudov, L. N. Pfeiffer, and K. W. West, Phys. Rev. Lett. accepted for publication.

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

    SciTech Connect

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

    2005-05-22

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

  16. Acentric 2-D Ensembles of D-br-A Electron-Transfer Chromophores via Vectorial Orientation within Amphiphilic n-Helix Bundle Peptides for Photovoltaic Device Applications

    PubMed Central

    Koo, Jaseung; Park, Jaehong; Tronin, Andrey; Zhang, Ruili; Krishnan, Venkata; Strzalka, Joseph; Kuzmenko, Ivan; Fry, H. Christopher; Therien, Michael J.; Blasie, J. Kent

    2012-01-01

    We show that simply designed amphiphilic 4-helix bundle peptides can be utilized to vectorially-orient a linearly-extended Donor-bridge-Acceptor (D-br-A) electron transfer (ET) chromophore within its core. The bundle’s interior is shown to provide a unique solvation environment for the D-br-A assembly not accessible in conventional solvents, and thereby control the magnitudes of both light-induced ET and thermal charge recombination rate constants. The amphiphilicity of the bundle’s exterior was employed to vectorially-orient the peptide-chromophore complex at a liquid-gas interface, and its ends tailored for subsequent covalent attachment to an inorganic surface, via a “directed assembly” approach. Structural data, combined with evaluation of the excited state dynamics exhibited by these peptide-chromophore complexes, demonstrates that densely-packed, acentrically ordered 2-D monolayer ensembles of such complexes at high in-plane chromophore densities approaching 1/200Å2 offer unique potential as active layers in binary heterojucntion photovoltaic devices. PMID:22242787

  17. Electronic and nuclear flux densities in the H2 molecule

    NASA Astrophysics Data System (ADS)

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

    2014-05-01

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

  18. Quasi 2D electronic states with high spin-polarization in centrosymmetric MoS2 bulk crystals

    NASA Astrophysics Data System (ADS)

    Gehlmann, Mathias; Aguilera, Irene; Bihlmayer, Gustav; Młyńczak, Ewa; Eschbach, Markus; Döring, Sven; Gospodarič, Pika; Cramm, Stefan; Kardynał, Beata; Plucinski, Lukasz; Blügel, Stefan; Schneider, Claus M.

    2016-06-01

    Time reversal dictates that nonmagnetic, centrosymmetric crystals cannot be spin-polarized as a whole. However, it has been recently shown that the electronic structure in these crystals can in fact show regions of high spin-polarization, as long as it is probed locally in real and in reciprocal space. In this article we present the first observation of this type of compensated polarization in MoS2 bulk crystals. Using spin- and angle-resolved photoemission spectroscopy (ARPES), we directly observed a spin-polarization of more than 65% for distinct valleys in the electronic band structure. By additionally evaluating the probing depth of our method, we find that these valence band states at the point in the Brillouin zone are close to fully polarized for the individual atomic trilayers of MoS2, which is confirmed by our density functional theory calculations. Furthermore, we show that this spin-layer locking leads to the observation of highly spin-polarized bands in ARPES since these states are almost completely confined within two dimensions. Our findings prove that these highly desired properties of MoS2 can be accessed without thinning it down to the monolayer limit.

  19. Quasi 2D electronic states with high spin-polarization in centrosymmetric MoS2 bulk crystals.

    PubMed

    Gehlmann, Mathias; Aguilera, Irene; Bihlmayer, Gustav; Młyńczak, Ewa; Eschbach, Markus; Döring, Sven; Gospodarič, Pika; Cramm, Stefan; Kardynał, Beata; Plucinski, Lukasz; Blügel, Stefan; Schneider, Claus M

    2016-06-01

    Time reversal dictates that nonmagnetic, centrosymmetric crystals cannot be spin-polarized as a whole. However, it has been recently shown that the electronic structure in these crystals can in fact show regions of high spin-polarization, as long as it is probed locally in real and in reciprocal space. In this article we present the first observation of this type of compensated polarization in MoS2 bulk crystals. Using spin- and angle-resolved photoemission spectroscopy (ARPES), we directly observed a spin-polarization of more than 65% for distinct valleys in the electronic band structure. By additionally evaluating the probing depth of our method, we find that these valence band states at the point in the Brillouin zone are close to fully polarized for the individual atomic trilayers of MoS2, which is confirmed by our density functional theory calculations. Furthermore, we show that this spin-layer locking leads to the observation of highly spin-polarized bands in ARPES since these states are almost completely confined within two dimensions. Our findings prove that these highly desired properties of MoS2 can be accessed without thinning it down to the monolayer limit.

  20. Quasi 2D electronic states with high spin-polarization in centrosymmetric MoS2 bulk crystals

    PubMed Central

    Gehlmann, Mathias; Aguilera, Irene; Bihlmayer, Gustav; Młyńczak, Ewa; Eschbach, Markus; Döring, Sven; Gospodarič, Pika; Cramm, Stefan; Kardynał, Beata; Plucinski, Lukasz; Blügel, Stefan; Schneider, Claus M.

    2016-01-01

    Time reversal dictates that nonmagnetic, centrosymmetric crystals cannot be spin-polarized as a whole. However, it has been recently shown that the electronic structure in these crystals can in fact show regions of high spin-polarization, as long as it is probed locally in real and in reciprocal space. In this article we present the first observation of this type of compensated polarization in MoS2 bulk crystals. Using spin- and angle-resolved photoemission spectroscopy (ARPES), we directly observed a spin-polarization of more than 65% for distinct valleys in the electronic band structure. By additionally evaluating the probing depth of our method, we find that these valence band states at the point in the Brillouin zone are close to fully polarized for the individual atomic trilayers of MoS2, which is confirmed by our density functional theory calculations. Furthermore, we show that this spin-layer locking leads to the observation of highly spin-polarized bands in ARPES since these states are almost completely confined within two dimensions. Our findings prove that these highly desired properties of MoS2 can be accessed without thinning it down to the monolayer limit. PMID:27245646

  1. Ligand identification using electron-density mapcorrelations

    SciTech Connect

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

    2006-12-01

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

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

    NASA Technical Reports Server (NTRS)

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

    1983-01-01

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

  3. Gutzwiller density functional theory for correlated electron systems

    SciTech Connect

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

    2008-02-04

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

  4. High-throughput critical dimensions uniformity (CDU) measurement of two-dimensional (2D) structures using scanning electron microscope (SEM) systems

    NASA Astrophysics Data System (ADS)

    Fullam, Jennifer; Boye, Carol; Standaert, Theodorus; Gaudiello, John; Tomlinson, Derek; Xiao, Hong; Fang, Wei; Zhang, Xu; Wang, Fei; Ma, Long; Zhao, Yan; Jau, Jack

    2011-03-01

    In this paper, we tested a novel methodology of measuring critical dimension (CD) uniformity, or CDU, with electron beam (e-beam) hotspot inspection and measurement systems developed by Hermes Microvision, Inc. (HMI). The systems were used to take images of two-dimensional (2D) array patterns and measure CDU values in a custom designated fashion. Because this methodology combined imaging of scanning micro scope (SEM) and CD value averaging over a large array pattern of optical CD, or OCD, it can measure CDU of 2D arrays with high accuracy, high repeatability and high throughput.

  5. Electron and ion densities in interstellar clouds

    NASA Technical Reports Server (NTRS)

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

    1974-01-01

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

  6. Electronic Transport Properties of New 2-D Materials GeH and NaSn2As2

    NASA Astrophysics Data System (ADS)

    He, Bin; Cultrara, Nicholas; Arguilla, Maxx; Goldberger, Joshua; Heremans, Joseph

    2-D materials potentially have superior thermoelectric properties compared to traditional 3-D materials due to their layered structure. Here we present electrical and thermoelectric transport properties of 2 types of 2-D materials, GeH and NaSn2As2. GeH is a graphane analog which is prepared using chemical exfoliation of CaGe2 crystals. Intrinsic GeH is proven to be a highly resistive material at room temperature. Resistance and Seebeck coefficient of Ga doped GeH are measured in a cryostat with a gating voltage varying from -100V to 100V. NaSn2As2 is another 2-D system, with Na atom embedded between nearly-2D Sn-As layers. Unlike GeH, NaSn2As2 is a metal based of Hall measurements, with p-type behavior, and with van der Pauw resistances on the order of 5m Ω/square. Thermoelectric transport properties of NaSn2As2 will be reported. This work is support by the NSF EFRI-2DARE project EFRI-1433467.

  7. Measurement of electron density using reactance cutoff probe

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

  8. Tailoring the nature and strength of electron-phonon interactions in the SrTiO3(001) 2D electron liquid

    NASA Astrophysics Data System (ADS)

    Wang, Z.; McKeown Walker, S.; Tamai, A.; Wang, Y.; Ristic, Z.; Bruno, F. Y.; de la Torre, A.; Riccò, S.; Plumb, N. C.; Shi, M.; Hlawenka, P.; Sánchez-Barriga, J.; Varykhalov, A.; Kim, T. K.; Hoesch, M.; King, P. D. C.; Meevasana, W.; Diebold, U.; Mesot, J.; Moritz, B.; Devereaux, T. P.; Radovic, M.; Baumberger, F.

    2016-08-01

    Surfaces and interfaces offer new possibilities for tailoring the many-body interactions that dominate the electrical and thermal properties of transition metal oxides. Here, we use the prototypical two-dimensional electron liquid (2DEL) at the SrTiO3(001) surface to reveal a remarkably complex evolution of electron-phonon coupling with the tunable carrier density of this system. At low density, where superconductivity is found in the analogous 2DEL at the LaAlO3/SrTiO3 interface, our angle-resolved photoemission data show replica bands separated by 100 meV from the main bands. This is a hallmark of a coherent polaronic liquid and implies long-range coupling to a single longitudinal optical phonon branch. In the overdoped regime the preferential coupling to this branch decreases and the 2DEL undergoes a crossover to a more conventional metallic state with weaker short-range electron-phonon interaction. These results place constraints on the theoretical description of superconductivity and allow a unified understanding of the transport properties in SrTiO3-based 2DELs.

  9. Tailoring the nature and strength of electron-phonon interactions in the SrTiO3(001) 2D electron liquid.

    PubMed

    Wang, Z; McKeown Walker, S; Tamai, A; Wang, Y; Ristic, Z; Bruno, F Y; de la Torre, A; Riccò, S; Plumb, N C; Shi, M; Hlawenka, P; Sánchez-Barriga, J; Varykhalov, A; Kim, T K; Hoesch, M; King, P D C; Meevasana, W; Diebold, U; Mesot, J; Moritz, B; Devereaux, T P; Radovic, M; Baumberger, F

    2016-08-01

    Surfaces and interfaces offer new possibilities for tailoring the many-body interactions that dominate the electrical and thermal properties of transition metal oxides. Here, we use the prototypical two-dimensional electron liquid (2DEL) at the SrTiO3(001) surface to reveal a remarkably complex evolution of electron-phonon coupling with the tunable carrier density of this system. At low density, where superconductivity is found in the analogous 2DEL at the LaAlO3/SrTiO3 interface, our angle-resolved photoemission data show replica bands separated by 100 meV from the main bands. This is a hallmark of a coherent polaronic liquid and implies long-range coupling to a single longitudinal optical phonon branch. In the overdoped regime the preferential coupling to this branch decreases and the 2DEL undergoes a crossover to a more conventional metallic state with weaker short-range electron-phonon interaction. These results place constraints on the theoretical description of superconductivity and allow a unified understanding of the transport properties in SrTiO3-based 2DELs.

  10. Use of 2d-video Disdrometer to Derive Mean Density-size and Ze-SR Relations: Four Snow Cases from the Light Precipitation Validation Experiment

    NASA Technical Reports Server (NTRS)

    Huang, Gwo-Jong; Bringi, V. N.; Moisseev, Dmitri; Petersen, Walter A.; Bliven, Francis L.; Hudak, David

    2014-01-01

    The application of the 2D-video disdrometer to measure fall speed and snow size distribution and to derive liquid equivalent snow rate, mean density-size and reflectivity-snow rate power law is described. Inversion of the methodology proposed by Böhm provides the pathway to use measured fall speed, area ratio and '3D' size measurement to estimate the mass of each particle. Four snow cases from the Light Precipitation Validation Experiment are analyzed with supporting data from other instruments such as Precipitation Occurrence Sensor System (POSS), Snow Video Imager (SVI), a network of seven snow gauges and three scanning C9 band radars. The radar-based snow accumulations using the 2DVD-derived Ze-SR relation are in good agreement with a network of seven snow gauges and outperform the accumulations derived from a climatological Ze-SR relation used by the Finnish Meteorological Institute (FMI). The normalized bias between radar-derived and gauge accumulation is reduced from 96% when using the fixed FMI relation to 28% when using the Ze-SR relations based on 2DVD data. The normalized standard error is also reduced significantly from 66% to 31%. For two of the days with widely different coefficients of the Ze-SR power law, the reflectivity structure showed significant differences in spatial variability. Liquid water path estimates from radiometric data also showed significant differences between the two cases. Examination of SVI particle images at the measurement site corroborated these differences in terms of unrimed versus rimed snow particles. The findings reported herein support the application of Böhm's methodology for deriving the mean density-size and Ze-SR power laws using data from 2D-video disdrometer.

  11. Use of 2D-video disdrometer to derive mean density-size and Ze-SR relations: Four snow cases from the light precipitation validation experiment

    NASA Astrophysics Data System (ADS)

    Huang, Gwo-Jong; Bringi, V. N.; Moisseev, Dmitri; Petersen, W. A.; Bliven, L.; Hudak, David

    2015-02-01

    The application of the 2D-video disdrometer to measure fall speed and snow size distribution and to derive liquid equivalent snow rate, mean density-size and reflectivity-snow rate power law is described. Inversion of the methodology proposed by Böhm provides the pathway to use measured fall speed, area ratio and '3D' size measurement to estimate the mass of each particle. Four snow cases from the Light Precipitation Validation Experiment are analyzed with supporting data from other instruments such as the Precipitation Occurrence Sensor System (POSS), Snow Video Imager (SVI), a network of seven snow gauges and three scanning C-band radars. The radar-based snow accumulations using the 2DVD-derived Ze-SR relation are in good agreement with a network of seven snow gauges and outperform the accumulations derived from a climatological Ze-SR relation used by the Finnish Meteorological Institute (FMI). The normalized bias between radar-derived and gauge accumulation is reduced from 96% when using the fixed FMI relation to 28% when using the Ze-SR relations based on 2DVD data. The normalized standard error is also reduced significantly from 66% to 31%. For two of the days with widely different coefficients of the Ze-SR power law, the reflectivity structure showed significant differences in spatial variability. Liquid water path estimates from radiometric data also showed significant differences between the two cases. Examination of SVI particle images at the measurement site corroborated these differences in terms of unrimed versus rimed snow particles. The findings reported herein support the application of Böhm's methodology for deriving the mean density-size and Ze-SR power laws using data from 2D-video disdrometer.

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

    NASA Astrophysics Data System (ADS)

    Ernst, D.

    2015-11-01

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

  13. Computational Screening of 2D Materials for Photocatalysis.

    PubMed

    Singh, Arunima K; Mathew, Kiran; Zhuang, Houlong L; Hennig, Richard G

    2015-03-19

    Two-dimensional (2D) materials exhibit a range of extraordinary electronic, optical, and mechanical properties different from their bulk counterparts with potential applications for 2D materials emerging in energy storage and conversion technologies. In this Perspective, we summarize the recent developments in the field of solar water splitting using 2D materials and review a computational screening approach to rapidly and efficiently discover more 2D materials that possess properties suitable for solar water splitting. Computational tools based on density-functional theory can predict the intrinsic properties of potential photocatalyst such as their electronic properties, optical absorbance, and solubility in aqueous solutions. Computational tools enable the exploration of possible routes to enhance the photocatalytic activity of 2D materials by use of mechanical strain, bias potential, doping, and pH. We discuss future research directions and needed method developments for the computational design and optimization of 2D materials for photocatalysis.

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

    PubMed

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

    2009-02-15

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

  15. Measurement of electron density and temperature in plasmas

    NASA Technical Reports Server (NTRS)

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

    1972-01-01

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

  16. Reversible Formation of 2D Electron Gas at the LaFeO3 /SrTiO3 Interface via Control of Oxygen Vacancies.

    PubMed

    Xu, Pengfa; Han, Wei; Rice, Philip M; Jeong, Jaewoo; Samant, Mahesh G; Mohseni, Katayoon; Meyerheim, Holger L; Ostanin, Sergey; Maznichenko, Igor V; Mertig, Ingrid; Gross, Eberhard K U; Ernst, Arthur; Parkin, Stuart S P

    2017-03-01

    A conducting 2D electron gas (2DEG) is formed at the interface between epitaxial LaFeO3 layers >3 unit cells thick and the surface of SrTiO3 single crystals. The 2DEG is exquisitely sensitive to cation intermixing and oxygen nonstoichiometry. It is shown that the latter thus allows the controllable formation of the 2DEG via ionic liquid gating, thereby forming a nonvolatile switch.

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

    DTIC Science & Technology

    2008-05-30

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

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

    PubMed

    Matito, Eduard; Putz, Mihai V

    2011-11-17

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

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

    NASA Astrophysics Data System (ADS)

    Sheinman, I.; Sheinman (Chernenco, J.

    2016-11-01

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

  20. Destabilization of a cylindrically confined electron cloud by impact ionization of background neutrals: 2D3v PIC simulation with Monte-Carlo-collisions

    NASA Astrophysics Data System (ADS)

    Sengupta, M.; Ganesh, R.

    2017-03-01

    In this paper, we have investigated, through simulation, the process of destabilization of a cylindrically confined electron cloud due to the presence of a single species of neutral atoms, Ar in the background of the trap at a pressure relevant to experiments. The destabilization occurs because of a gradual accumulation of Ar+ in the cloud by the electron-impact ionization of the background neutrals. The trapped ions gradually collectively form a sizeable ion cloud which engages in a rotational two-stream instability (the ion resonance instability) with the electron cloud. The instability excites a growing fundamental diocotron mode on both components of the mixed non-neutral cloud. With the help of a set of numerical diagnostics, we have investigated the nonlinear evolution of the excited fundamental mode under the combined influence of two ongoing processes viz, (i) the changing electron and ion populations caused by electron impact ionization of the background Ar, and also by the radial loss of both charged species to the grounded trap wall at later stages and (ii) the elastic scattering of electrons and ions that make non-ionizing collisions with the background neutrals. The 2D collisionless dynamics of the instability has been simulated using a 2D Particle-in-Cell code operating on a Cartesian grid laid out on the cylindrical trap's cross-section, and the 3D ionizing and non-ionizing collisions between charged particles and background neutrals have been simulated using the technique of Monte-Carlo-Collisions.

  1. Critical Slowing of Density Fluctuations Approaching the Isotropic-Nematic Transition in Liquid Crystals: 2D IR Measurements and Mode Coupling Theory.

    PubMed

    Sokolowsky, Kathleen P; Bailey, Heather E; Hoffman, David J; Andersen, Hans C; Fayer, Michael D

    2016-07-21

    Two-dimensional infrared (2D IR) data are presented for a vibrational probe in three nematogens: 4-cyano-4'-pentylbiphenyl, 4-cyano-4'-octylbiphenyl, and 4-(trans-4-amylcyclohexyl)-benzonitrile. The spectral diffusion time constants in all three liquids in the isotropic phase are proportional to [T*/(T - T*)](1/2), where T* is 0.5-1 K below the isotropic-nematic phase transition temperature (TNI). Rescaling to a reduced temperature shows that the decays of the frequency-frequency correlation function (FFCF) for all three nematogens fall on the same curve, suggesting a universal dynamic behavior of nematogens above TNI. Spectral diffusion is complete before significant orientational relaxation in the liquid, as measured by optically heterodyne detected-optical Kerr effect (OHD-OKE) spectroscopy, and before any significant orientational randomization of the probe measured by polarization selective IR pump-probe experiments. To interpret the OHD-OKE and FFCF data, we constructed a mode coupling theory (MCT) schematic model for the relationships among three correlation functions: ϕ1, a correlator for large wave vector density fluctuations; ϕ2, the orientational correlation function whose time derivative is the observable in the OHD-OKE experiment; and ϕ3, the FFCF for the 2D IR experiment. The equations for ϕ1 and ϕ2 match those in the previous MCT schematic model for nematogens, and ϕ3 is coupled to the first two correlators in a straightforward manner. Resulting models fit the data very well. Across liquid crystals, the temperature dependences of the coupling constants show consistent, nonmonotonic behavior. A remarkable change in coupling occurs at ∼5 K above TNI, precisely where the rate of spectral diffusion in 5CB was observed to deviate from that of a similar nonmesogenic liquid.

  2. Electron cyclotron emission as a density fluctuation diagnostic

    SciTech Connect

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

    2004-10-01

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

  3. The amplitude of auroral backscatter. I - Model estimates of the dependence on electron density

    NASA Astrophysics Data System (ADS)

    Uspenskii, M. V.; Williams, P. J. S.

    1988-01-01

    A model of the auroral backscatter amplitude, in the form discussed by Uspensky (1985) and Oksman et al. (1986), has been derived for the radar geometry appropriate to joint observations by the PGI auroral radars at Karmaselga and Essoyla and the EISCAT incoherent scatter radar. The model shows how refraction effects cause a strongly nonlinear dependence of backscatter amplitude on electron density in the E-region. It also explains why the macroaspect sensitivity for auroral radar operating at a frequency of about 45 MHz is only 1-2 dB per degree for aspect angles greater than 5 deg.

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

    SciTech Connect

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

    2015-12-15

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

  5. Electron capture and excitation in collisions of O{sup +}({sup 4}S,{sup 2}D,{sup 2}P) with H{sub 2} molecules

    SciTech Connect

    Pichl, Lukas; Li Yan; Liebermann, Heinz-Peter; Buenker, Robert J.; Kimura, Mineo

    2004-06-01

    Using an electronic-state close-coupling method, we treated the electron capture and excitation processes of O{sup +} ions both in ground state O{sup +}({sup 4}S) and metastable states O{sup +*}({sup 2}D) and O{sup +*}({sup 2}P) in collisions with the H{sub 2} molecule. In the ground-state projectile energy region considered (from 50 eV/amu to 10 keV/amu), the experimental data vary by orders of magnitude: our results smoothly connect to the data by Flesch and Ng [J. Chem. Phys. 94, 2372 (1991)] and Xu et al. [J. Phys. B 23, 1235 (1990)] at low energy and agree with Phaneuf et al. [Phys. Rev. A 17, 534 (1978)] in the high-energy region. The present values differ from Sieglaff et al. [Phys. Rev. A 59, 3538 (1999)] and Nutt et al. [J. Phys. B 12, L157 (1979)], especially in the energy region below 1 keV/amu. We provide the first calculated state-resolved cross sections of electron capture and target-projectile electronic excitations for the O{sup +}({sup 4}S,{sup 2}D,{sup 2}P)-H{sub 2} collision system.

  6. Density-shear instability in electron magneto-hydrodynamics

    SciTech Connect

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

    2014-05-15

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

  7. Measuring ionospheric electron density using the plasma frequency probe

    SciTech Connect

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

    1992-02-01

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

  8. Energy of the quasi-free electron in H{sub 2}, D{sub 2}, and O{sub 2}: Probing intermolecular potentials within the local Wigner-Seitz model

    SciTech Connect

    Evans, C. M. Krynski, Kamil; Streeter, Zachary; Findley, G. L.

    2015-12-14

    We present for the first time the quasi-free electron energy V{sub 0}(ρ) for H{sub 2}, D{sub 2}, and O{sub 2} from gas to liquid densities, on noncritical isotherms and on a near critical isotherm in each fluid. These data illustrate the ability of field enhanced photoemission (FEP) to determine V{sub 0}(ρ) accurately in strongly absorbing fluids (e.g., O{sub 2}) and fluids with extremely low critical temperatures (e.g., H{sub 2} and D{sub 2}). We also show that the isotropic local Wigner-Seitz model for V{sub 0}(ρ) — when coupled with thermodynamic data for the fluid — can yield optimized parameters for intermolecular potentials, as well as zero kinetic energy electron scattering lengths.

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

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

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

  10. Titanium trisulfide (TiS3): a 2D semiconductor with quasi-1D optical and electronic properties

    NASA Astrophysics Data System (ADS)

    Island, Joshua O.; Biele, Robert; Barawi, Mariam; Clamagirand, José M.; Ares, José R.; Sánchez, Carlos; van der Zant, Herre S. J.; Ferrer, Isabel J.; D’Agosta, Roberto; Castellanos-Gomez, Andres

    2016-03-01

    We present characterizations of few-layer titanium trisulfide (TiS3) flakes which, due to their reduced in-plane structural symmetry, display strong anisotropy in their electrical and optical properties. Exfoliated few-layer flakes show marked anisotropy of their in-plane mobilities reaching ratios as high as 7.6 at low temperatures. Based on the preferential growth axis of TiS3 nanoribbons, we develop a simple method to identify the in-plane crystalline axes of exfoliated few-layer flakes through angle resolved polarization Raman spectroscopy. Optical transmission measurements show that TiS3 flakes display strong linear dichroism with a magnitude (transmission ratios up to 30) much greater than that observed for other anisotropic two-dimensional (2D) materials. Finally, we calculate the absorption and transmittance spectra of TiS3 in the random-phase-approximation (RPA) and find that the calculations are in qualitative agreement with the observed experimental optical transmittance.

  11. Titanium trisulfide (TiS3): a 2D semiconductor with quasi-1D optical and electronic properties

    PubMed Central

    Island, Joshua O.; Biele, Robert; Barawi, Mariam; Clamagirand, José M.; Ares, José R.; Sánchez, Carlos; van der Zant, Herre S. J.; Ferrer, Isabel J.; D’Agosta, Roberto; Castellanos-Gomez, Andres

    2016-01-01

    We present characterizations of few-layer titanium trisulfide (TiS3) flakes which, due to their reduced in-plane structural symmetry, display strong anisotropy in their electrical and optical properties. Exfoliated few-layer flakes show marked anisotropy of their in-plane mobilities reaching ratios as high as 7.6 at low temperatures. Based on the preferential growth axis of TiS3 nanoribbons, we develop a simple method to identify the in-plane crystalline axes of exfoliated few-layer flakes through angle resolved polarization Raman spectroscopy. Optical transmission measurements show that TiS3 flakes display strong linear dichroism with a magnitude (transmission ratios up to 30) much greater than that observed for other anisotropic two-dimensional (2D) materials. Finally, we calculate the absorption and transmittance spectra of TiS3 in the random-phase-approximation (RPA) and find that the calculations are in qualitative agreement with the observed experimental optical transmittance. PMID:26931161

  12. Fast ion induced shearing of 2D Alfvén eigenmodes measured by electron cyclotron emission imaging.

    PubMed

    Tobias, B J; Classen, I G J; Domier, C W; Heidbrink, W W; Luhmann, N C; Nazikian, R; Park, H K; Spong, D A; Van Zeeland, M A

    2011-02-18

    Two-dimensional images of electron temperature perturbations are obtained with electron cyclotron emission imaging (ECEI) on the DIII-D tokamak and compared to Alfvén eigenmode structures obtained by numerical modeling using both ideal MHD and hybrid MHD-gyrofluid codes. While many features of the observations are found to be in excellent agreement with simulations using an ideal MHD code (NOVA), other characteristics distinctly reveal the influence of fast ions on the mode structures. These features are found to be well described by the nonperturbative hybrid MHD-gyrofluid model TAEFL.

  13. Fast Ion Induced Shearing of 2D Alfvén Eigenmodes Measured by Electron Cyclotron Emission Imaging

    NASA Astrophysics Data System (ADS)

    Tobias, B. J.; Classen, I. G. J.; Domier, C. W.; Heidbrink, W. W.; Luhmann, N. C., Jr.; Nazikian, R.; Park, H. K.; Spong, D. A.; van Zeeland, M. A.

    2011-02-01

    Two-dimensional images of electron temperature perturbations are obtained with electron cyclotron emission imaging (ECEI) on the DIII-D tokamak and compared to Alfvén eigenmode structures obtained by numerical modeling using both ideal MHD and hybrid MHD-gyrofluid codes. While many features of the observations are found to be in excellent agreement with simulations using an ideal MHD code (NOVA), other characteristics distinctly reveal the influence of fast ions on the mode structures. These features are found to be well described by the nonperturbative hybrid MHD-gyrofluid model TAEFL.

  14. Cellulose Structural Polymorphism in Plant Primary Cell Walls Investigated by High-Field 2D Solid-State NMR Spectroscopy and Density Functional Theory Calculations.

    PubMed

    Wang, Tuo; Yang, Hui; Kubicki, James D; Hong, Mei

    2016-06-13

    The native cellulose of bacterial, algal, and animal origins has been well studied structurally using X-ray and neutron diffraction and solid-state NMR spectroscopy, and is known to consist of varying proportions of two allomorphs, Iα and Iβ, which differ in hydrogen bonding, chain packing, and local conformation. In comparison, cellulose structure in plant primary cell walls is much less understood because plant cellulose has lower crystallinity and extensive interactions with matrix polysaccharides. Here we have combined two-dimensional magic-angle-spinning (MAS) solid-state nuclear magnetic resonance (solid-state NMR) spectroscopy at high magnetic fields with density functional theory (DFT) calculations to obtain detailed information about the structural polymorphism and spatial distributions of plant primary-wall cellulose. 2D (13)C-(13)C correlation spectra of uniformly (13)C-labeled cell walls of several model plants resolved seven sets of cellulose chemical shifts. Among these, five sets (denoted a-e) belong to cellulose in the interior of the microfibril while two sets (f and g) can be assigned to surface cellulose. Importantly, most of the interior cellulose (13)C chemical shifts differ significantly from the (13)C chemical shifts of the Iα and Iβ allomorphs, indicating that plant primary-wall cellulose has different conformations, packing, and hydrogen bonding from celluloses of other organisms. 2D (13)C-(13)C correlation experiments with long mixing times and with water polarization transfer revealed the spatial distributions and matrix-polysaccharide interactions of these cellulose structures. Celluloses f and g are well mixed chains on the microfibril surface, celluloses a and b are interior chains that are in molecular contact with the surface chains, while cellulose c resides in the core of the microfibril, outside spin diffusion contact with the surface. Interestingly, cellulose d, whose chemical shifts differ most significantly from those of

  15. Cellulose Structural Polymorphism in Plant Primary Cell Walls Investigated by High-Field 2D Solid-State NMR Spectroscopy and Density Functional Theory Calculations

    PubMed Central

    Wang, Tuo; Yang, Hui; Kubicki, James D.; Hong, Mei

    2017-01-01

    The native cellulose of bacterial, algal, and animal origins has been well studied structurally using X-ray and neutron diffraction and solid-state NMR spectroscopy, and is known to consist of varying proportions of two allomorphs, Iα and Iβ, which differ in hydrogen bonding, chain packing, and local conformation. In comparison, cellulose structure in plant primary cell walls is much less understood because plant cellulose has lower crystallinity and extensive interactions with matrix polysaccharides. Here we have combined two-dimensional magic-angle-spinning (MAS) solid-state nuclear magnetic resonance (solid-state NMR) spectroscopy at high magnetic fields with density functional theory (DFT) calculations to obtain detailed information about the structural polymorphism and spatial distributions of plant primary-wall cellulose. 2D 13C-13C correlation spectra of uniformly 13C-labeled cell walls of several model plants resolved seven sets of cellulose chemical shifts. Among these, five sets (denoted a-e) belong to cellulose in the interior of the microfibril while two sets (f and g) can be assigned to surface cellulose. Importantly, most of the interior cellulose 13C chemical shifts differ significantly from the 13C chemical shifts of the Iα and Iβ allomorphs, indicating that plant primary-wall cellulose has different conformations, packing and hydrogen bonding from celluloses of other organisms. 2D 13C-13C correlation experiments with long mixing times and with water polarization transfer revealed the spatial distributions and matrix-polysaccharide interactions of these cellulose structures. Cellulose f and g are well mixed chains on the microfibril surface, cellulose a and b are interior chains that are in molecular contact with the surface chains, while cellulose c resides in the core of the microfibril, outside spin diffusion contact with the surface. Interestingly, cellulose d, whose chemical shifts differ most significantly from those of bacterial, algal

  16. Electron temperature and density relationships in coronal mass ejections

    NASA Technical Reports Server (NTRS)

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

    1995-01-01

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

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

    NASA Technical Reports Server (NTRS)

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

    1979-01-01

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

  18. Large Area Synthesis of 2D Materials

    NASA Astrophysics Data System (ADS)

    Vogel, Eric

    Transition metal dichalcogenides (TMDs) have generated significant interest for numerous applications including sensors, flexible electronics, heterostructures and optoelectronics due to their interesting, thickness-dependent properties. Despite recent progress, the synthesis of high-quality and highly uniform TMDs on a large scale is still a challenge. In this talk, synthesis routes for WSe2 and MoS2 that achieve monolayer thickness uniformity across large area substrates with electrical properties equivalent to geological crystals will be described. Controlled doping of 2D semiconductors is also critically required. However, methods established for conventional semiconductors, such as ion implantation, are not easily applicable to 2D materials because of their atomically thin structure. Redox-active molecular dopants will be demonstrated which provide large changes in carrier density and workfunction through the choice of dopant, treatment time, and the solution concentration. Finally, several applications of these large-area, uniform 2D materials will be described including heterostructures, biosensors and strain sensors.

  19. Electron density measurements in the ITER fusion plasma

    NASA Astrophysics Data System (ADS)

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

    2013-08-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2013-11-01

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

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

    NASA Technical Reports Server (NTRS)

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

    1991-01-01

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

  2. Many-body GW calculations of ground-state properties: quasi-2D electron systems and van der Waals forces.

    PubMed

    García-González, P; Godby, R W

    2002-02-04

    We present GW many-body results for ground-state properties of two simple but very distinct families of inhomogeneous systems in which traditional implementations of density-functional theory (DFT) fail drastically. The GW approach gives notably better results than the well-known random-phase approximation, at a similar computational cost. These results establish GW as a superior alternative to standard DFT schemes without the expensive numerical effort required by quantum Monte Carlo simulations.

  3. Engineering the electronic and magnetic properties of d(0) 2D dichalcogenide materials through vacancy doping and lattice strains.

    PubMed

    Ao, L; Pham, A; Xiao, H Y; Zu, X T; Li, S

    2016-03-14

    We have systematically investigated the effects of different vacancy defects in 2D d(0) materials SnS2 and ZrS2 using first principles calculations. The theoretical results show that the single cation vacancy and the vacancy complex like V-SnS6 can induce large magnetic moments (3-4 μB) in these single layer materials. Other defects, such as V-SnS3, V-S, V-ZrS3 and V-ZrS6, can result in n-type conductivity. In addition, the ab initio studies also reveal that the magnetic and conductive properties from the cation vacancy and the defect complex V-SnS6 can be modified using the compressive/tensile strain of the in-plane lattices. Specifically, the V-Zr doped ZrS2 monolayer can be tuned from a ferromagnetic semiconductor to a metallic/half-metallic material with decreasing/increasing magnetic moments depending on the external compressive/tensile strains. On the other hand, the semiconducting and magnetic properties of V-Sn doped SnS2 is preserved under different lattice compression and tension. For the defect complex like V-SnS6, only the lattice compression can tune the magnetic moments in SnS2. As a result, by manipulating the fabrication parameters, the magnetic and conductive properties of SnS2 and ZrS2 can be tuned without the need for chemical doping.

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

    DTIC Science & Technology

    2006-10-01

    output of a diode into a resistively loaded circuit. This paper describes the use of a nuclear scattering code ( MCNPX ) to calculate the increased...used in the MCNPX calculations . The range constant supplied in section 3.2 (9) must be multiplied by the density of the material used. The density... MCNPX code. Instead, we are only modeling the SiC material and attempting to calculate how many free-electrons are being generated within as a

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

    SciTech Connect

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

    2007-07-07

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

  6. Ionospheric topside models compared with experimental electron density profiles

    NASA Astrophysics Data System (ADS)

    Coisson, P.; Radicella, S. M.

    2003-04-01

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

  7. 2D 31P solid state NMR spectroscopy, electronic structure and thermochemistry of PbP7

    NASA Astrophysics Data System (ADS)

    Benndorf, Christopher; Hohmann, Andrea; Schmidt, Peer; Eckert, Hellmut; Johrendt, Dirk; Schäfer, Konrad; Pöttgen, Rainer

    2016-03-01

    Phase pure polycrystalline PbP7 was prepared from the elements via a lead flux. Crystalline pieces with edge-lengths up to 1 mm were obtained. The assignment of the previously published 31P solid state NMR spectrum to the seven distinct crystallographic sites was accomplished by radio-frequency driven dipolar recoupling (RFDR) experiments. As commonly found in other solid polyphosphides there is no obvious correlation between the 31P chemical shift and structural parameters. PbP7 decomposes incongruently under release of phosphorus forming liquid lead as remainder. The thermal decomposition starts at T>550 K with a vapor pressure almost similar to that of red phosphorus. Electronic structure calculations reveal PbP7 as a semiconductor according to the Zintl description and clearly shows the stereo-active Pb-6s2 lone pairs in the electron localization function ELF.

  8. Statistical quality indicators for electron-density maps

    SciTech Connect

    Tickle, Ian J.

    2012-04-01

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

  9. Controlling quantum-beating signals in 2D electronic spectra by packing synthetic heterodimers on single-walled carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Wang, Lili; Griffin, Graham B.; Zhang, Alice; Zhai, Feng; Williams, Nicholas E.; Jordan, Richard F.; Engel, Gregory S.

    2017-02-01

    In multidimensional spectroscopy, dynamics of coherences between excited states report on the interactions between electronic states and their environment. The prolonged coherence lifetimes revealed through beating signals in the spectra of some systems may result from vibronic coupling between nearly degenerate excited states, and recent observations confirm the existence of such coupling in both model systems and photosynthetic complexes. Understanding the origin of beating signals in the spectra of photosynthetic complexes has been given considerable attention; however, strategies to generate them in artificial systems that would allow us to test the hypotheses in detail are still lacking. Here we demonstrate control over the presence of quantum-beating signals by packing structurally flexible synthetic heterodimers on single-walled carbon nanotubes, and thereby restrict the motions of chromophores. Using two-dimensional electronic spectroscopy, we find that both limiting the relative rotation of chromophores and tuning the energy difference between the two electronic transitions in the dimer to match a vibrational mode of the lower-energy monomer are necessary to enhance the observed quantum-beating signals.

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

    DTIC Science & Technology

    1987-09-08

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

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

    NASA Astrophysics Data System (ADS)

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

    2017-03-01

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

  12. SUTRA: A model for 2D or 3D saturated-unsaturated, variable-density ground-water flow with solute or energy transport

    USGS Publications Warehouse

    Voss, Clifford I.; Provost, A.M.

    2002-01-01

    SUTRA (Saturated-Unsaturated Transport) is a computer program that simulates fluid movement and the transport of either energy or dissolved substances in a subsurface environment. This upgraded version of SUTRA adds the capability for three-dimensional simulation to the former code (Voss, 1984), which allowed only two-dimensional simulation. The code employs a two- or three-dimensional finite-element and finite-difference method to approximate the governing equations that describe the two interdependent processes that are simulated: 1) fluid density-dependent saturated or unsaturated ground-water flow; and 2) either (a) transport of a solute in the ground water, in which the solute may be subject to: equilibrium adsorption on the porous matrix, and both first-order and zero-order production or decay; or (b) transport of thermal energy in the ground water and solid matrix of the aquifer. SUTRA may also be used to simulate simpler subsets of the above processes. A flow-direction-dependent dispersion process for anisotropic media is also provided by the code and is introduced in this report. As the primary calculated result, SUTRA provides fluid pressures and either solute concentrations or temperatures, as they vary with time, everywhere in the simulated subsurface system. SUTRA flow simulation may be employed for two-dimensional (2D) areal, cross sectional and three-dimensional (3D) modeling of saturated ground-water flow systems, and for cross sectional and 3D modeling of unsaturated zone flow. Solute-transport simulation using SUTRA may be employed to model natural or man-induced chemical-species transport including processes of solute sorption, production, and decay. For example, it may be applied to analyze ground-water contaminant transport problems and aquifer restoration designs. In addition, solute-transport simulation with SUTRA may be used for modeling of variable-density leachate movement, and for cross sectional modeling of saltwater intrusion in

  13. Assessment of a 2D electronic portal imaging devices-based dosimetry algorithm for pretreatment and in-vivo midplane dose verification

    PubMed Central

    Jomehzadeh, Ali; Shokrani, Parvaneh; Mohammadi, Mohammad; Amouheidari, Alireza

    2016-01-01

    Background: The use of electronic portal imaging devices (EPIDs) is a method for the dosimetric verification of radiotherapy plans, both pretreatment and in vivo. The aim of this study is to test a 2D EPID-based dosimetry algorithm for dose verification of some plans inside a homogenous and anthropomorphic phantom and in vivo as well. Materials and Methods: Dose distributions were reconstructed from EPID images using a 2D EPID dosimetry algorithm inside a homogenous slab phantom for a simple 10 × 10 cm2 box technique, 3D conformal (prostate, head-and-neck, and lung), and intensity-modulated radiation therapy (IMRT) prostate plans inside an anthropomorphic (Alderson) phantom and in the patients (one fraction in vivo) for 3D conformal plans (prostate, head-and-neck and lung). Results: The planned and EPID dose difference at the isocenter, on an average, was 1.7% for pretreatment verification and less than 3% for all in vivo plans, except for head-and-neck, which was 3.6%. The mean γ values for a seven-field prostate IMRT plan delivered to the Alderson phantom varied from 0.28 to 0.65. For 3D conformal plans applied for the Alderson phantom, all γ1% values were within the tolerance level for all plans and in both anteroposterior and posteroanterior (AP-PA) beams. Conclusion: The 2D EPID-based dosimetry algorithm provides an accurate method to verify the dose of a simple 10 × 10 cm2 field, in two dimensions, inside a homogenous slab phantom and an IMRT prostate plan, as well as in 3D conformal plans (prostate, head-and-neck, and lung plans) applied using an anthropomorphic phantom and in vivo. However, further investigation to improve the 2D EPID dosimetry algorithm for a head-and-neck case, is necessary. PMID:28028511

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

    NASA Technical Reports Server (NTRS)

    Gurgew, Danielle N.; Minow, Joseph I.

    2011-01-01

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

  15. 2D/3D electron temperature fluctuations near explosive MHD instabilities accompanied by minor and major disruptions

    NASA Astrophysics Data System (ADS)

    Choi, M. J.; Park, H. K.; Yun, G. S.; Lee, W.; Luhmann, N. C., Jr.; Lee, K. D.; Ko, W.-H.; Park, Y.-S.; Park, B. H.; In, Y.

    2016-06-01

    Minor and major disruptions by explosive MHD instabilities were observed with the novel quasi 3D electron cyclotron emission imaging (ECEI) system in the KSTAR plasma. The fine electron temperature (T e) fluctuation images revealed two types of minor disruptions: a small minor disruption is a q∼ 2 localized fast transport event due to a single m/n  =  2/1 magnetic island growth, while a large minor disruption is partial collapse of the q≤slant 2 region with two successive fast heat transport events by the correlated m/n  =  2/1 and m/n  =  1/1 instabilities. The m/n  =  2/1 magnetic island growth during the minor disruption is normally limited below the saturation width. However, as the additional interchange-like perturbation grows near the inner separatrix of the 2/1 island, the 2/1 island can expand beyond the limit through coupling with the cold bubble formed by the interchange-like perturbation.

  16. Electronic and magnetic properties of TM atoms adsorption on 2D silicon carbide by first-principles calculations

    NASA Astrophysics Data System (ADS)

    Luo, M.; Shen, Y. H.; Yin, T. L.

    2017-02-01

    The magnetic properties of different transition-metal (TM) atoms (TM=Co, Cu, Mn, Fe, and Ni) adsorption on SiC monolayer are investigated using density functional theory (DFT). Magnetism appears in the cases of Co, Cu, Mn, and Fe. Among all the magnetic cases, the Co-adsorbed system has the most stable structure. Therefore, we further study the interaction in the two-Co-adsorbed system. Our results show that the interaction between two Co atoms is always FM and the p-d hybridization mechanism results in such ferromagnetic states. However, the FM interaction is obviously depressed by the increasing Co-Co distance, which could be well explained by the Zener-RKKY theory. Moreover, different magnetic behavior is observed in the two-Mn-adsorbed system and a long-range AFM state is showing. Such multiple magnetic properties may suggest promising applications of TM-adsorbed SiC monolayer in the future.

  17. Extreme atmospheric electron densities created by extensive air showers

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

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

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

    NASA Astrophysics Data System (ADS)

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

    1993-06-01

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

  19. Numerical simulations - Some results for the 2- and 3-D Hubbard models and a 2-D electron phonon model

    NASA Technical Reports Server (NTRS)

    Scalapino, D. J.; Sugar, R. L.; White, S. R.; Bickers, N. E.; Scalettar, R. T.

    1989-01-01

    Numerical simulations on the half-filled three-dimensional Hubbard model clearly show the onset of Neel order. Simulations of the two-dimensional electron-phonon Holstein model show the competition between the formation of a Peierls-CDW state and a superconducting state. However, the behavior of the partly filled two-dimensional Hubbard model is more difficult to determine. At half-filling, the antiferromagnetic correlations grow as T is reduced. Doping away from half-filling suppresses these correlations, and it is found that there is a weak attractive pairing interaction in the d-wave channel. However, the strength of the pair field susceptibility is weak at the temperatures and lattice sizes that have been simulated, and the nature of the low-temperature state of the nearly half-filled Hubbard model remains open.

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

    NASA Astrophysics Data System (ADS)

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

    2003-11-01

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

  1. Electron momentum distribution and singlet-singlet annihilation in the organic anthracene molecular crystals using positron 2D-ACAR and fluorescence spectroscopy.

    PubMed

    Selvakumar, Sellaiyan; Sivaji, Krishnan; Arulchakkaravarthi, Arjunan; Sankar, Sambasivam

    2014-08-14

    We present the mapping of electron momentum distribution (EMD) in a single crystal of anthracene by two-dimensional angular correlation of positron annihilation radiation (2D-ACAR). The projected EMD is explained on the basis of the crystallographic features of the material. The EMD spectra provide information about the positron states and their behavior and also about the hindrance of the positronium (Ps) formation in this material. The EMD has exhibited evidence for the absence of free volume defects. The characteristic EMD features regarding the delocalized electronic states are explained. Further, scintillation characteristics such as fluorescence and time-correlated single photon counting have also been studied. The emission peaks are attributed to vibrational bands of fluorescence emission from the singlet excitons and lifetime components are observed to be due to singlet fission and the singlet-singlet excitons annihilation.

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

    NASA Astrophysics Data System (ADS)

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

    2014-12-01

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

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

    PubMed

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

    2006-10-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

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

    PubMed Central

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

    2016-01-01

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

  6. The role of electronic coupling between substrate and 2D MoS2 nanosheets in electrocatalytic production of hydrogen

    NASA Astrophysics Data System (ADS)

    Voiry, Damien; Fullon, Raymond; Yang, Jieun; de Carvalho Castro E Silva, Cecilia; Kappera, Rajesh; Bozkurt, Ibrahim; Kaplan, Daniel; Lagos, Maureen J.; Batson, Philip E.; Gupta, Gautam; Mohite, Aditya D.; Dong, Liang; Er, Dequan; Shenoy, Vivek B.; Asefa, Tewodros; Chhowalla, Manish

    2016-09-01

    The excellent catalytic activity of metallic MoS2 edges for the hydrogen evolution reaction (HER) has led to substantial efforts towards increasing the edge concentration. The 2H basal plane is less active for the HER because it is less conducting and therefore possesses less efficient charge transfer kinetics. Here we show that the activity of the 2H basal planes of monolayer MoS2 nanosheets can be made comparable to state-of-the-art catalytic properties of metallic edges and the 1T phase by improving the electrical coupling between the substrate and the catalyst so that electron injection from the electrode and transport to the catalyst active site is facilitated. Phase-engineered low-resistance contacts on monolayer 2H-phase MoS2 basal plane lead to higher efficiency of charge injection in the nanosheets so that its intrinsic activity towards the HER can be measured. We demonstrate that onset potentials and Tafel slopes of ~-0.1 V and ~50 mV per decade can be achieved from 2H-phase catalysts where only the basal plane is exposed. We show that efficient charge injection and the presence of naturally occurring sulfur vacancies are responsible for the observed increase in catalytic activity of the 2H basal plane. Our results provide new insights into the role of contact resistance and charge transport on the performance of two-dimensional MoS2 nanosheet catalysts for the HER.

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

    SciTech Connect

    Wiezorek, Jorg

    2016-09-01

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

  8. Real time 3-D electron density reconstruction over Europe by using TaD profiler

    NASA Astrophysics Data System (ADS)

    Kutiev, I.; Marinov, P.; Belehaki, A.

    2016-07-01

    The TaD (Topside Sounder Model (TSM)-assisted Digisonde) profiler, developed on the basis of the Topside Sounder Model (TSM), provides vertical electron density profiles (EDP) over Digisondes from the bottomside ionosphere up to Global Navigation Satellite Systems (GNSS) orbit heights. TaD EDP uses the Digisonde bottomside profile and extends it above the F2 layer peak, representing O+ distribution by α-Chapman formula and H+ distribution by a single exponent. Topside scale height HT and transition height hT are taken from TSM, while the plasmasphere scale height Hp is defined as a function of HT. All profile parameters are adjusted to the current conditions comparing the profile integral with the GNSS vertical total electron content (TEC) retrieved from the European Reference Frame (EUREF) maps. To expand to three dimensions (3-D), European maps of foF2 and hmF2 are produced, based on Digisonde data, with spatial resolution 1°×1° in latitude and longitude, and TaD profiles are calculated at each grid node. Electron density (ED) at any point of the 3-D space is obtained by linear interpolation of TaD parameters between neighbor nodes. Samples of two dimensional (2-D) electron density distribution (EDD) at different cross sections of the 3-D space between 200 km and 1150 km over the mapping area are presented, along with distributions of the electron density along various raypaths of GNSS signals. The modeled 3-D EDD is compared with vertical (vTEC) and slant (sTEC) TEC parameters calculated from individual GNSS receivers. The model error (relative deviation of model from the data), based on 6780 data values, is 10% for sTEC and 6% for vTEC.

  9. The role of electronic coupling between substrate and 2D MoS2 nanosheets in electrocatalytic production of hydrogen.

    PubMed

    Voiry, Damien; Fullon, Raymond; Yang, Jieun; de Carvalho Castro E Silva, Cecilia; Kappera, Rajesh; Bozkurt, Ibrahim; Kaplan, Daniel; Lagos, Maureen J; Batson, Philip E; Gupta, Gautam; Mohite, Aditya D; Dong, Liang; Er, Dequan; Shenoy, Vivek B; Asefa, Tewodros; Chhowalla, Manish

    2016-09-01

    The excellent catalytic activity of metallic MoS2 edges for the hydrogen evolution reaction (HER) has led to substantial efforts towards increasing the edge concentration. The 2H basal plane is less active for the HER because it is less conducting and therefore possesses less efficient charge transfer kinetics. Here we show that the activity of the 2H basal planes of monolayer MoS2 nanosheets can be made comparable to state-of-the-art catalytic properties of metallic edges and the 1T phase by improving the electrical coupling between the substrate and the catalyst so that electron injection from the electrode and transport to the catalyst active site is facilitated. Phase-engineered low-resistance contacts on monolayer 2H-phase MoS2 basal plane lead to higher efficiency of charge injection in the nanosheets so that its intrinsic activity towards the HER can be measured. We demonstrate that onset potentials and Tafel slopes of ∼-0.1 V and ∼50 mV per decade can be achieved from 2H-phase catalysts where only the basal plane is exposed. We show that efficient charge injection and the presence of naturally occurring sulfur vacancies are responsible for the observed increase in catalytic activity of the 2H basal plane. Our results provide new insights into the role of contact resistance and charge transport on the performance of two-dimensional MoS2 nanosheet catalysts for the HER.

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

    NASA Astrophysics Data System (ADS)

    Withers, Paul; Fallows, Kathryn; Matta, Majd

    2014-04-01

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

  11. Absolute electron density measurements in the equatorial ionosphere

    NASA Technical Reports Server (NTRS)

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

    1985-01-01

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

  12. Nearly degenerate electron distributions and superluminal radiation densities

    NASA Astrophysics Data System (ADS)

    Tomaschitz, Roman

    2010-02-01

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

  13. Generation of Superponderomotive Electrons in Multipicosecond Interactions of Kilojoule Laser Beams with Solid-Density Plasmas.

    PubMed

    Sorokovikova, A; Arefiev, A V; McGuffey, C; Qiao, B; Robinson, A P L; Wei, M S; McLean, H S; Beg, F N

    2016-04-15

    The interaction of a multipicosecond, kilojoule laser pulse with a surface of a solid target has been shown to produce electrons with energies far beyond the free-electron ponderomotive limit m_{e}c^{2}a_{0}^{2}/2. Particle-in-cell simulations indicate that an increase in the pulse duration from 1 to 10 ps leads to the formation of a low-density shelf (about 10% of the critical density). The shelf extends over 100  μm toward the vacuum side, with a nonstationary potential barrier forming in that area. Electrons reflected from the barrier gain superponderomotive energy from the potential. Some electrons experience an even greater energy gain due to ponderomotive acceleration when their "dephasing rate" R=γ-p_{x}/m_{e}c drops well below unity, thus increasing acceleration by a factor of 1/R. Both 1D and 2D simulations indicate that these mechanisms are responsible for the generation of extensive thermal distributions with T_{e}>10  MeV and a high-energy cutoff of hundreds of MeV.

  14. A method for 3D electron density imaging using single scattered x-rays with application to mammographic screening.

    PubMed

    Van Uytven, Eric; Pistorius, Stephen; Gordon, Richard

    2008-10-07

    Screening mammography is the current standard in detecting breast cancer. However, its fundamental disadvantage is that it projects a 3D object into a 2D image. Small lesions are difficult to detect when superimposed over layers of normal, heterogeneous tissue. In this work, we examine the potential of single scattered photon electron density imaging in a mammographic environment. Simulating a low-energy (<20 keV) scanning pencil beam, we have developed an algorithm capable of producing 3D electron density images from a single projection. We have tested the algorithm by imaging parts of a simulated mammographic accreditation phantom containing lesions of various sizes. The results indicate that the group of imaged lesions differ significantly from background breast tissue (p<0.005), confirming that electron density imaging may be a useful diagnostic test for the presence of breast cancer.

  15. Statistical quality indicators for electron-density maps.

    PubMed

    Tickle, Ian J

    2012-04-01

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

  16. Crystal and electronic characterization of Nd{sub x}Ti{sub 1−x}BO{sub 2+d} semiconductors

    SciTech Connect

    Ozkendir, Osman Murat

    2016-02-15

    Highlights: • Crystal and electronic structure properties of Nd{sub x}Ti{sub 1−x}BO{sub 2+d} structure were investigated. • New crystal structures for Nd–Ti complexes are determined. • Distortions in the crystal structure were observed as a result of Boron shortage. • Prominent change in electronic properties of the samples with the increasing Nd amount. - Abstract: Neodymium substituted TiBO{sub 3} samples were investigated according to their crystal, electric and electronic properties. Studies were conducted by X-ray absorption fine structure spectroscopy (XAFS) technique for the samples with different substitutions in the preparation processes. To achieve better crystal structure results during the study, XRD pattern results were supported by extended-XAFS (EXAFS) analysis. The electronic structure analysis were studied by X-ray absorption near-edge structure spectroscopy (XANES) measurements at the room temperatures. Due to the substituted Nd atoms, prominent changes in crystal structure, new crystal geometries for Nd-Ti complexes, phase transitions in the crystals structure were detected according to the increasing Nd substitutions in the samples. In the entire stages of the substitutions, Nd atoms were observed as governing the whole phenomena due to their dominant characteristics in Ti geometries. Besides, electrical resistivity decay was determined in the materials with the increasing amount of Nd substitution.

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  18. Momentum-resolved view of mixed 2D and nonbulklike 3D electronic structure of the surface state on SrTiO3 (001)

    NASA Astrophysics Data System (ADS)

    Plumb, N. C.; Salluzzo, M.; Razzoli, E.; Mansson, M.; Krempasky, J.; Matt, C. E.; Schmitt, T.; Shi, M.; Mesot, J.; Patthey, L.; Radovic, M.

    2014-03-01

    The recent discovery of a metallic surface state on SrTiO3 may open a route to simplified low-dimensional oxide-based conductors, as well as give new insights into interfacial phenomena in heterostructures such as LaAlO3/SrTiO3. Our recent angle-resolved photoemission spectroscopy (ARPES) study demonstrates that not only quasi-2D but also non-bulklike 3D Fermi surface components make up the surface state. Like their more 2D counterparts, the size and character of the 3D components are fixed with respect to a broad range of sample preparations. As seen in previous studies, the surface state can be ``prepared'' by photon irradiation under UHV conditions. An extremely high fraction of the surface valence states are affected by this process, especially in relation to the stability of oxygen core level intensity during the same exposure, which points to a key role of electronic/structural changes that spread over the surface as the metal emerges.

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

    PubMed

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

    2014-02-21

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

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

    NASA Technical Reports Server (NTRS)

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

    1979-01-01

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

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

    SciTech Connect

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

    2014-05-14

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

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

    SciTech Connect

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

    2014-05-15

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

  3. Driving Plasmaspheric Electron Density Simulations During Geomagnetic Storms

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

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

  4. Plasma actuator electron density measurement using microwave perturbation method

    SciTech Connect

    Mirhosseini, Farid; Colpitts, Bruce

    2014-07-21

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

  5. New Data on the Topside Electron Density Distribution

    NASA Technical Reports Server (NTRS)

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

    2001-01-01

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

  6. Surprising resistivity decrease in manganites with constant electronic density

    NASA Astrophysics Data System (ADS)

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

    2013-12-01

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

  7. Model simulations of ion and electron density profiles in ionospheric E and F regions

    NASA Astrophysics Data System (ADS)

    Lin, Y. C.; Chu, Y. H.

    2017-02-01

    We develop a time-dependent theoretical numerical model to simulate the density profiles of the ions (i.e., O+(2P), O+(2D), N2+, O+(4S), N+, O2+, and NO+) and free electrons in E and F regions. In this model, the ion photoionization production rates, the photoelectron ionization production effect, and the chemical reactions between the ionized species and the neutral compositions are considered, and the plasma transport processes are not included. The simulation results show that the mean electron density ratios of the model simulations to the AE-C satellite measurements for the Solar Dynamics Observatory-Extreme Ultraviolet Variability Experiment (SDO-EVE), EUV flux model for Aeronomic Calculations, and Hinteregger-Fukui-Gilson solar irradiance models are, respectively, 0.97, 0.79, and 0.71 in a height range 140-400 km and 0.79, 0.75, and 0.64 in a height range 90-150 km. A comparison shows that the electron densities simulated by the model developed in this study are much more consistent with the in situ measurements made by the AE-C satellite than those predicted by the International Reference Ionosphere model and simulated by the Thermosphere Ionosphere Electrodynamics General Circulation Model. The model simulations with SDO-EVE solar irradiance input indicate that the photoelectron impact production process contributes about 20%-30% of the total atomic ion densities throughout the height range 130-400 km around noon. However, the photoelectron production effect on the molecular ion densities is very minor (less than about 7%) above 275 km. Below 250 km, its effect increases with the decrease of height for O2+ and N2+, from about 4% and 10% at 250 km to 13% and 27% at 150 km, respectively.

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

    PubMed

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

    2010-01-14

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

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

    NASA Astrophysics Data System (ADS)

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

    2000-11-01

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

  10. Giant piezoresistance of p-type nano-thick silicon induced by interface electron trapping instead of 2D quantum confinement.

    PubMed

    Yang, Yongliang; Li, Xinxin

    2011-01-07

    The p-type silicon giant piezoresistive coefficient is measured in top-down fabricated nano-thickness single-crystalline-silicon strain-gauge resistors with a macro-cantilever bending experiment. For relatively thicker samples, the variation of piezoresistive coefficient in terms of silicon thickness obeys the reported 2D quantum confinement effect. For ultra-thin samples, however, the variation deviates from the quantum-effect prediction but increases the value by at least one order of magnitude (compared to the conventional piezoresistance of bulk silicon) and the value can change its sign (e.g. from positive to negative). A stress-enhanced Si/SiO(2) interface electron-trapping effect model is proposed to explain the 'abnormal' giant piezoresistance that should be originated from the carrier-concentration change effect instead of the conventional equivalent mobility change effect for bulk silicon piezoresistors. An interface state modification experiment gives preliminary proof of our analysis.

  11. An Overview of Ionospheric Electron Density Variations over Istanbul

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

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

  12. Cutoff probe using Fourier analysis for electron density measurement

    SciTech Connect

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

    2012-01-15

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

  13. determination of current density distribution in an electron beam

    NASA Astrophysics Data System (ADS)

    Kandel, Yudhishthir Prasad

    Electron beams are useful in many applications because they can be focused down to a spot far exceeding the physical limit of focusing visible light or x-rays. Additionally, electron beams are useful in transferring concentrated amounts of energy to a very small well defined region of a target for a fixed duration. This has led to the development of both scanning electron microscopes (SEMs) and electron beam lithography. The goal of this work was to develop a general method that accurately and easily yields the best estimate of the electron current density distribution of a focused electron beam, known as point spread function (PSF). The method developed is fast, easy to use and accurate. Two specific areas of research have been addressed for PSF determination. The first is concerned with the monotonic response of EUV photoresist as a function of electron beam dose. An external metrology is used for mapping the change in thickness that is smaller than the beam spot size. The method developed in this study simultaneously gives the photo-resist thickness change as a function of electron dose and electron beam PSF. A second thrust of this research has been to develop set of PSF characterization approaches that apply to the SEM. Here a knowledge of the PSF offers many benefits including the ability to monitor and optimize SEM performance such as astigmatism control. Perhaps, even more importantly, a knowledge of the PSF combined with a series of well-defined experimental steps has led to the development of new methods for improving the resolution of SEM images through computational means rather than very costly and complex equipment modification.

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

    SciTech Connect

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

    2014-05-14

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

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

    PubMed

    Beck, Thomas L

    2015-12-21

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

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

    NASA Astrophysics Data System (ADS)

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

    1995-10-01

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

  17. Effects of the electron-electron interaction in the spin resonance in 2D systems with Dresselhaus spin-orbit coupling

    SciTech Connect

    Krishtopenko, S. S.

    2015-02-15

    The effect of the electron-electron interaction on the spin-resonance frequency in two-dimensional electron systems with Dresselhaus spin-orbit coupling is investigated. The oscillatory dependence of many-body corrections on the magnetic field is demonstrated. It is shown that the consideration of many-body interaction leads to a decrease or an increase in the spin-resonance frequency, depending on the sign of the g factor. It is found that the term cubic in quasimomentum in Dresselhaus spin-orbit coupling partially decreases exchange corrections to the spin resonance energy in a two-dimensional system.

  18. Electronic density of states in sequence dependent DNA molecules

    NASA Astrophysics Data System (ADS)

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

    2006-09-01

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

  19. Electron density power spectrum in the local interstellar medium

    NASA Technical Reports Server (NTRS)

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

    1995-01-01

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

  20. Theoretical calculation of electron-positron momentum density in YBa 2Cu 3O 7-δ

    NASA Astrophysics Data System (ADS)

    Massidda, S.

    1990-07-01

    We present calculations of the electron-positron momentum density for the high- Tc superconductor YBa 2Cu 3O 7-δ for δ=0 and for the insulating parent compound YBa 2Cu 3O 6, based on first-principle electronic structure calculations performed within the local density approximation (LDA) using the full potential linearized augmented plane wave (FLAPW) method. Our results indicate a small overlap of the positron wave function with the CuO 2 plane electrons and, as a consequence, relatively small signals due to the related Fermi surfaces. By contrast, the present calculations show, after the folding of Umklapp terms according to Lock, Crisp and West, clear Fermi surface breaks arising from the Cu-O chain bands. No general agreement with existing experiments allows a clear definition of Fermi surface structures in the latter. A comparison of the calculated momentum with the experimental two-dimensional angular correlation of annihilation radiation (2D-ACAR) recently measured in Geneva shows an overall agreement for the insulating compound, despite the spurious LDA metallic state, and possibly suggests the importance of O vacancies in experiments performed on non-stoichiometric YBa 2Cu 3O 7-δ samples.

  1. Electron density contour smoothening for epitaxial Ag islands on Ag(100)

    NASA Astrophysics Data System (ADS)

    Bedrossian, Peter; Poelsema, Bene; Rosenfeld, Georg; Jorritsma, Louis C.; Lipkin, Nuphar N.; Comsa, George

    1995-07-01

    Rocking curves acquired with thermal energy He-atom scattering indicate that for small 2D Ag islands grown on Ag(100) at 200 K, the apparent step height normal to the surface is reduced by about 0.6 Å compared to the step height calculated on the basis of bulk separation. For higher growth temperatures this effect is not observed. SPA-LEED measurements indicate that this behavior cannot be explained with a corresponding relaxation of island atoms. Rather, it may be attributed to a smoothening of the electronic corrugation (Smoluchowski effect), which is probed by the He atoms and which can be expected to occur for small and/or closely spaced islands. The dependence on the growth temperature indicates that this effect is, indeed, related to the size and proximity of the islands, being most pronounced for closely spaced islands consisting of a few tens of atoms only. These findings suggest that the difference between the morphology of the electron density contours, probed by methods which are sensitive to the density of valence electrons, such as atom scattering or scanning tunneling microscopy, and the morphology at the atomic core level is significant for small metal structures on metal surfaces.

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

    SciTech Connect

    Joubert, Daniel P.

    2011-10-15

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

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

    NASA Astrophysics Data System (ADS)

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

    2011-04-01

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

  4. Thermopower enhancement by fractional layer control in 2D oxide superlattices.

    PubMed

    Choi, Woo Seok; Ohta, Hiromichi; Lee, Ho Nyung

    2014-10-22

    Precise tuning of the 2D carrier density by using fractional δ-doping of d electrons improves the thermoelectric properties of oxide heterostructures. This promising result can be attributed to the anisotropic band structure in the 2D system, indicating that δ-doped oxide superlattices are good candidates for advanced thermoelectrics.

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

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

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

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

    SciTech Connect

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

    2015-10-12

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

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

    SciTech Connect

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

    2013-08-15

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

  8. Electron densities and alkali atoms in exoplanet atmospheres

    SciTech Connect

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

    2014-11-20

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

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

    PubMed

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

    2005-11-01

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

  10. Electron density measurements during the NLC-91 campaign

    NASA Technical Reports Server (NTRS)

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

    1994-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2014-05-01

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

  12. Automated screening of 2D crystallization trials using transmission electron microscopy: a high-throughput tool-chain for sample preparation and microscopic analysis.

    PubMed

    Coudray, Nicolas; Hermann, Gilles; Caujolle-Bert, Daniel; Karathanou, Argyro; Erne-Brand, Françoise; Buessler, Jean-Luc; Daum, Pamela; Plitzko, Juergen M; Chami, Mohamed; Mueller, Urs; Kihl, Hubert; Urban, Jean-Philippe; Engel, Andreas; Rémigy, Hervé-W

    2011-02-01

    We have built and extensively tested a tool-chain to prepare and screen two-dimensional crystals of membrane proteins by transmission electron microscopy (TEM) at room temperature. This automated process is an extension of a new procedure described recently that allows membrane protein 2D crystallization in parallel (Iacovache et al., 2010). The system includes a gantry robot that transfers and prepares the crystalline solutions on grids suitable for TEM analysis and an entirely automated microscope that can analyze 96 grids at once without human interference. The operation of the system at the user level is solely controlled within the MATLAB environment: the commands to perform sample handling (loading/unloading in the microscope), microscope steering (magnification, focus, image acquisition, etc.) as well as automatic crystal detection have been implemented. Different types of thin samples can efficiently be screened provided that the particular detection algorithm is adapted to the specific task. Hence, operating time can be shared between multiple users. This is a major step towards the integration of transmission electron microscopy into a high throughput work-flow.

  13. Characterization of the growth of 2D protein crystals on a lipid monolayer by ellipsometry and rigidity measurements coupled to electron microscopy.

    PubMed Central

    Vénien-Bryan, C; Lenne, P F; Zakri, C; Renault, A; Brisson, A; Legrand, J F; Berge, B

    1998-01-01

    We present here some sensitive optical and mechanical experiments for monitoring the process of formation and growth of two-dimensional (2D) crystals of proteins on a lipid monolayer at an air-water interface. The adsorption of proteins on the lipid monolayer was monitored by ellipsometry measurements. An instrument was developed to measure the shear elastic constant (in plane rigidity) of the monolayer. These experiments have been done using cholera toxin B subunit (CTB) and annexin V as model proteins interacting with a monosialoganglioside (GM1) and dioleoylphosphatidylserine (DOPS), respectively. Electron microscopy observations of the protein-lipid layer transferred to grids were systematically used as a control. We found a good correlation between the measured in-plane rigidity of the monolayer and the presence of large crystalline domains observed by electron microscopy grids. Our interpretation of these data is that the crystallization process of proteins on a lipid monolayer passes through at least three successive stages: 1) molecular recognition between protein and lipid-ligand, i.e., adsorption of the protein on the lipid layer; 2) nucleation and growth of crystalline patches whose percolation is detected by the appearance of a non-zero in-plane rigidity; and 3) annealing of the layer producing a slower increase of the lateral or in-plane rigidity. PMID:9591688

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

    NASA Astrophysics Data System (ADS)

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

    2017-01-01

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

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

    SciTech Connect

    Womack, James C.; Manby, Frederick R.

    2014-01-28

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

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

    NASA Technical Reports Server (NTRS)

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

    2004-01-01

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

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

    NASA Technical Reports Server (NTRS)

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

    1973-01-01

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

  18. Temperature-driven disorder-order transitions in 2D copper-intercalated MoO3 revealed using dynamic transmission electron microscopy

    NASA Astrophysics Data System (ADS)

    Reed, Bryan W.; Chung, Frank R.; Wang, Mengjing; LaGrange, Thomas; Koski, Kristie J.

    2014-12-01

    We demonstrate two different classes of disorder-order phase transitions in two-dimensional layered nanomaterial MoO3 intercalated with ˜9-15 atomic percent zero-valent copper using conventional in situ electron diffraction and dynamic transmission electron microscopy. Heating to ˜325 °C on a time scale of minutes produces a superlattice consistent with the formation of a charge density wave stabilized by nanometer-scale ordering of the copper intercalant. Unlike conventional purely electronic charge-density-wave states which form, reform, and disappear on picosecond scales as the temperature is changed, once it forms the observed structure in Cu-MoO3 is stable indefinitely over a very large temperature range (30 °C to the decomposition temperature of 450 °C). Nanosecond-scale heating to ˜380-400 °C produced a completely different structure, replacing the disordered as-fabricated Cu-MoO3 with a much more crystallographically ordered metastable state that, according to a precession electron diffraction reconstruction, resembles the original MoO3 lattice apart from an asymmetric distortion that appears to expand parts of the van der Waals gaps to accommodate the copper intercalant. Control experiments in Cu-free material exhibited neither transformation, thus it appears the copper is a necessary part of the phase dynamics. This work shows how the combination of high-density metal atom intercalation and heat treatment over a wide range of time scales can produce nanomaterials of high crystalline quality in unique structural states that cannot be accessed through other methods.

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

    SciTech Connect

    Palenskis, V.

    2014-04-15

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

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

    SciTech Connect

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

    2015-12-07

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

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

    PubMed

    Hartnoll, Sean A; Petrov, Pavel

    2011-03-25

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

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

    PubMed

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

    2015-08-01

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

  3. Electron temperature and density probe for small aeronomy satellites

    SciTech Connect

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

    2015-08-15

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

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

  5. Electron temperature and density probe for small aeronomy satellites

    NASA Astrophysics Data System (ADS)

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

    2015-08-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-12-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

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

  8. Electron density and temperature in the solar corona from multifrequency radio imaging

    NASA Astrophysics Data System (ADS)

    Mercier, C.; Chambe, G.

    2015-11-01

    Context. The 2D images obtained through rotational aperture synthesis with the Nançay Radioheliograph are suitable for quantitative exploitation. First results are presented. Aims: We study the variations of the quiet corona in brightness and size during an 8-year period and derive electron density and temperature in the corona. Methods: Images at 6 frequencies between 150 and 450 MHz for 183 quiet days between 2004 and 2011 were used. Measurements of the brightness temperature Tb beyond the limb allowed coronal density models to be derived in both EW and NS radial directions, with a weak dependence on the electron temperature. The total ranges in the heliocentric distance r are 1.15-1.60 R⊙ (EW) and 1.0-1.4 R⊙ (NS). The agreement between results from different frequencies, in the ranges of r where there is overlapping shows the robustness of the method. The electron temperature, in turn, can be derived from the comparison of the observed mean spectra on the disk with those predicted through transfer calculations from the density models derived from limb observations. Results: The widths of the brightness profiles that were averaged yearly have minima at cycle minimum (2008-2009). These minima are more pronounced for EW profiles than for NS ones. The derived yearly-averaged density models along equatorial and polar diameters are consistent with isothermal and hydrostatic models. They are characterized by their density value n0 extrapolated down to the base of the corona and their scale-height temperature TH. Changes in n0 and TH with solar cycle are given for equatorial and polar regions. The kinetic temperature Te of electrons in the corona (~0.62 MK) is found to be significantly less than TH (~1.5 MK). This implies an ion temperature Ti ~ 2.2 MK. Conclusions: The yearly-averaged variations of these models are less than the dispersion between models derived from other techniques, such as white light and EUV observations, partly because these two techniques

  9. Electron response in van der Waals density functionals

    NASA Astrophysics Data System (ADS)

    Hyldgaard, Per

    2013-03-01

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

  10. An unambiguous identification of 2D electron gas features in the photoluminescence spectrum of AlGaN/GaN heterostructures

    NASA Astrophysics Data System (ADS)

    Jana, Dipankar; Sharma, T. K.

    2016-07-01

    A fast and non-destructive method for probing the true signatures of 2D electron gas (2DEG) states in AlGaN/GaN heterostructures is presented. Two broad features superimposed with interference oscillations are observed in the low temperature photoluminescence (PL) spectrum. The two features are identified as the ground and excited 2DEG states which are confirmed by comparing the PL spectra of as-grown and top barrier layer etched samples. Broad PL features disappear at a certain temperature along with the associated interference oscillations. Furthermore, the two broad PL features depicts specific temperature and excitation intensity dependencies which make them easily distinguishable from the bandedge excitonic or defect related PL features. The presence of strong interference oscillations associated with the 2DEG PL features is explained by considering the localized generation of PL signal at the AlGaN/GaN heterointerface. Finally, a large value of the polarization induced electric field of ~1.01 MV cm-1 is reported from PL measurements for AlGaN/GaN HEMT structures. It became possible only when the true identification of 2DEG features was made possible by the proposed method.

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

    PubMed

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

    1979-02-23

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

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

    NASA Astrophysics Data System (ADS)

    Wu, Qin; Van Voorhis, Troy

    2006-10-01

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

  13. Tuning the conductivity threshold and carrier density of two-dimensional electron gas at oxide interfaces through interface engineering

    SciTech Connect

    Ma, H. J. Harsan E-mail: ariando@nus.edu.sg; Zeng, S. W.; Annadi, A.; Ariando E-mail: ariando@nus.edu.sg; Huang, Z.; Venkatesan, T.

    2015-08-15

    The two-dimensional electron gas (2DEG) formed at the perovskite oxides heterostructures is of great interest because of its potential applications in oxides electronics and nanoscale multifunctional devices. A canonical example is the 2DEG at the interface between a polar oxide LaAlO{sub 3} (LAO) and non-polar SrTiO{sub 3} (STO). Here, the LAO polar oxide can be regarded as the modulating or doping layer and is expected to define the electronic properties of 2DEG at the LAO/STO interface. However, to practically implement the 2DEG in electronics and device design, desired properties such as tunable 2D carrier density are necessary. Here, we report the tuning of conductivity threshold, carrier density and electronic properties of 2DEG in LAO/STO heterostructures by insertion of a La{sub 0.5}Sr{sub 0.5}TiO{sub 3} (LSTO) layer of varying thicknesses, and thus modulating the amount of polarization of the oxide over layers. Our experimental result shows an enhancement of carrier density up to a value of about five times higher than that observed at the LAO/STO interface. A complete thickness dependent metal-insulator phase diagram is obtained by varying the thickness of LAO and LSTO providing an estimate for the critical thickness needed for the metallic phase. The observations are discussed in terms of electronic reconstruction induced by polar oxides.

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

    DOEpatents

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

    1984-11-29

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

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

    DOEpatents

    Campbell, Edward M.; Rosen, Mordecai D.

    1989-01-01

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

  16. Neutral Atmosphere Properties Determining D-region Electron Densities

    NASA Technical Reports Server (NTRS)

    Taubenheim, J.

    1984-01-01

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

  17. Plasmaspheric Electron Densities and Plasmashere-Ionosphere Coupling Fluxes

    NASA Astrophysics Data System (ADS)

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

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

  18. A hybrid pressure-density-based Mach uniform algorithm for 2D Euler equations on unstructured grids by using multi-moment finite volume method

    NASA Astrophysics Data System (ADS)

    Xie, Bin; Deng, Xi; Sun, Ziyao; Xiao, Feng

    2017-04-01

    We propose a novel Mach-uniform numerical model for 2D Euler equations on unstructured grids by using multi-moment finite volume method. The model integrates two key components newly developed to solve compressible flows on unstructured grids with improved accuracy and robustness. A new variant of AUSM scheme, so-called AUSM+-pcp (AUSM+ with pressure-correction projection), has been devised including a pressure-correction projection to the AUSM+ flux splitting, which maintains the exact numerical conservativeness and works well for all Mach numbers. A novel 3th-order, non-oscillatory and less-dissipative reconstruction has been proposed by introducing a multi-dimensional limiting and a BVD (boundary variation diminishing) treatment to the VPM (volume integrated average (VIA) and point value (PV) based multi-moment) reconstruction. The resulting reconstruction scheme, the limited VPM-BVD formulation, is able to resolve both smooth and non-smooth solutions with high fidelity. Benchmark tests have been used to verify the present model. The numerical results substantiate the present model as an accurate and robust unstructured-grid formulation for flows of all Mach numbers.

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  20. Electron correlation in solids via density embedding theory

    SciTech Connect

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

    2014-08-07

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

  1. 2D-3D transition of gold cluster anions resolved

    NASA Astrophysics Data System (ADS)

    Johansson, Mikael P.; Lechtken, Anne; Schooss, Detlef; Kappes, Manfred M.; Furche, Filipp

    2008-05-01

    Small gold cluster anions Aun- are known for their unusual two-dimensional (2D) structures, giving rise to properties very different from those of bulk gold. Previous experiments and calculations disagree about the number of gold atoms nc where the transition to 3D structures occurs. We combine trapped ion electron diffraction and state of the art electronic structure calculations to resolve this puzzle and establish nc=12 . It is shown that theoretical studies using traditional generalized gradient functionals are heavily biased towards 2D structures. For a correct prediction of the 2D-3D crossover point it is crucial to use density functionals yielding accurate jellium surface energies, such as the Tao-Perdew-Staroverov-Scuseria (TPSS) functional or the Perdew-Burke-Ernzerhof functional modified for solids (PBEsol). Further, spin-orbit effects have to be included, and large, flexible basis sets employed. This combined theoretical-experimental approach is promising for larger gold and other metal clusters.

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

    PubMed

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

    2011-04-12

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

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

    SciTech Connect

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

    2015-01-09

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2013-08-01

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

  6. Tunable one-dimensional electron gas carrier densities at nanostructured oxide interfaces

    PubMed Central

    Zhuang, Houlong L.; Zhang, Lipeng; Xu, Haixuan; Kent, P. R. C.; Ganesh, P.; Cooper, Valentino R.

    2016-01-01

    The emergence of two-dimensional metallic states at the LaAlO3/SrTiO3 (LAO/STO) heterostructure interface is known to occur at a critical thickness of four LAO layers. This insulator to-metal transition can be explained through the “polar catastrophe” mechanism arising from the divergence of the electrostatic potential at the LAO surface. Here, we demonstrate that nanostructuring can be effective in reducing or eliminating this critical thickness. Employing a modified “polar catastrophe” model, we demonstrate that the nanowire heterostructure electrostatic potential diverges more rapidly as a function of layer thickness than in a regular heterostructure. Our first-principles calculations indicate that for nanowire heterostructures a robust one-dimensional electron gas (1DEG) can be induced, consistent with recent experimental observations of 1D conductivity at LAO/STO steps. Similar to LAO/STO 2DEGs, we predict that the 1D charge density decays laterally within a few unit cells away from the nanowire; thus providing a mechanism for tuning the carrier dimensionality between 1D and 2D conductivity. Our work provides insight into the creation and manipulation of charge density at an oxide heterostructure interface and therefore may be beneficial for future nanoelectronic devices and for the engineering of novel quantum phases. PMID:27151049

  7. Tunable one-dimensional electron gas carrier densities at nanostructured oxide interfaces

    SciTech Connect

    Zhang, Lipeng; Xu, Haixuan; Kent, Paul R. C.; Ganesh, Panchapakesan; Cooper, Valentino R.; Zhuang, Houlong L.

    2016-05-06

    The emergence of two-dimensional metallic states at the LaAlO3/SrTiO3 (LAO/STO) heterostructure interface is known to occur at a critical thickness of four LAO over layers. This insulator-to-metal transition can be explained through the polar catastrophe mechanism arising from the divergence of the electrostatic potential at the LAO surface. Here, we demonstrate that nanostructuring can be effective in reducing or eliminating this critical thickness. Employing a modified polar catastrophe" model, we demonstrate that the nanowire heterostructure electrostatic potential diverges more rapidly as a function of layer thickness than in a regular heterostructure. Our first principles calculations indicate that for nanowire heterostructure geometries a one-dimensional electron gas (1DEG) can be induced, consistent with recent experimental observations of 1D conductivity in LAO/STO steps. Similar to LAO/STO 2DEGs, we predict that the 1D charge density will decay laterally within a few unit cells away from the nanowire; thus providing a mechanism for tuning the carrier behavior between 1D and 2D conductivity. Furthermore, our work provides insight into the creation and manipulation of charge density at an oxide heterostructure interface and therefore may be beneficial for future nanoelectronic devices and for the engineering of novel quantum phases.

  8. Tunable one-dimensional electron gas carrier densities at nanostructured oxide interfaces

    DOE PAGES

    Zhang, Lipeng; Xu, Haixuan; Kent, Paul R. C.; ...

    2016-05-06

    The emergence of two-dimensional metallic states at the LaAlO3/SrTiO3 (LAO/STO) heterostructure interface is known to occur at a critical thickness of four LAO over layers. This insulator-to-metal transition can be explained through the polar catastrophe mechanism arising from the divergence of the electrostatic potential at the LAO surface. Here, we demonstrate that nanostructuring can be effective in reducing or eliminating this critical thickness. Employing a modified polar catastrophe" model, we demonstrate that the nanowire heterostructure electrostatic potential diverges more rapidly as a function of layer thickness than in a regular heterostructure. Our first principles calculations indicate that for nanowire heterostructuremore » geometries a one-dimensional electron gas (1DEG) can be induced, consistent with recent experimental observations of 1D conductivity in LAO/STO steps. Similar to LAO/STO 2DEGs, we predict that the 1D charge density will decay laterally within a few unit cells away from the nanowire; thus providing a mechanism for tuning the carrier behavior between 1D and 2D conductivity. Furthermore, our work provides insight into the creation and manipulation of charge density at an oxide heterostructure interface and therefore may be beneficial for future nanoelectronic devices and for the engineering of novel quantum phases.« less

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

    NASA Astrophysics Data System (ADS)

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

    2013-12-01

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

  10. 2D superconductivity by ionic gating

    NASA Astrophysics Data System (ADS)

    Iwasa, Yoshi

    2D superconductivity is attracting a renewed interest due to the discoveries of new highly crystalline 2D superconductors in the past decade. Superconductivity at the oxide interfaces triggered by LaAlO3/SrTiO3 has become one of the promising routes for creation of new 2D superconductors. Also, the MBE grown metallic monolayers including FeSe are also offering a new platform of 2D superconductors. In the last two years, there appear a variety of monolayer/bilayer superconductors fabricated by CVD or mechanical exfoliation. Among these, electric field induced superconductivity by electric double layer transistor (EDLT) is a unique platform of 2D superconductivity, because of its ability of high density charge accumulation, and also because of the versatility in terms of materials, stemming from oxides to organics and layered chalcogenides. In this presentation, the following issues of electric filed induced superconductivity will be addressed; (1) Tunable carrier density, (2) Weak pinning, (3) Absence of inversion symmetry. (1) Since the sheet carrier density is quasi-continuously tunable from 0 to the order of 1014 cm-2, one is able to establish an electronic phase diagram of superconductivity, which will be compared with that of bulk superconductors. (2) The thickness of superconductivity can be estimated as 2 - 10 nm, dependent on materials, and is much smaller than the in-plane coherence length. Such a thin but low resistance at normal state results in extremely weak pinning beyond the dirty Boson model in the amorphous metallic films. (3) Due to the electric filed, the inversion symmetry is inherently broken in EDLT. This feature appears in the enhancement of Pauli limit of the upper critical field for the in-plane magnetic fields. In transition metal dichalcogenide with a substantial spin-orbit interactions, we were able to confirm the stabilization of Cooper pair due to its spin-valley locking. This work has been supported by Grant-in-Aid for Specially

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

    SciTech Connect

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

    2014-01-18

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

  12. Optoelectronics with 2D semiconductors

    NASA Astrophysics Data System (ADS)

    Mueller, Thomas

    2015-03-01

    Two-dimensional (2D) atomic crystals, such as graphene and layered transition-metal dichalcogenides, are currently receiving a lot of attention for applications in electronics and optoelectronics. In this talk, I will review our research activities on electrically driven light emission, photovoltaic energy conversion and photodetection in 2D semiconductors. In particular, WSe2 monolayer p-n junctions formed by electrostatic doping using a pair of split gate electrodes, type-II heterojunctions based on MoS2/WSe2 and MoS2/phosphorene van der Waals stacks, 2D multi-junction solar cells, and 3D/2D semiconductor interfaces will be presented. Upon optical illumination, conversion of light into electrical energy occurs in these devices. If an electrical current is driven, efficient electroluminescence is obtained. I will present measurements of the electrical characteristics, the optical properties, and the gate voltage dependence of the device response. In the second part of my talk, I will discuss photoconductivity studies of MoS2 field-effect transistors. We identify photovoltaic and photoconductive effects, which both show strong photoconductive gain. A model will be presented that reproduces our experimental findings, such as the dependence on optical power and gate voltage. We envision that the efficient photon conversion and light emission, combined with the advantages of 2D semiconductors, such as flexibility, high mechanical stability and low costs of production, could lead to new optoelectronic technologies.

  13. Highly crystalline 2D superconductors

    NASA Astrophysics Data System (ADS)

    Saito, Yu; Nojima, Tsutomu; Iwasa, Yoshihiro

    2016-12-01

    Recent advances in materials fabrication have enabled the manufacturing of ordered 2D electron systems, such as heterogeneous interfaces, atomic layers grown by molecular beam epitaxy, exfoliated thin flakes and field-effect devices. These 2D electron systems are highly crystalline, and some of them, despite their single-layer thickness, exhibit a sheet resistance more than an order of magnitude lower than that of conventional amorphous or granular thin films. In this Review, we explore recent developments in the field of highly crystalline 2D superconductors and highlight the unprecedented physical properties of these systems. In particular, we explore the quantum metallic state (or possible metallic ground state), the quantum Griffiths phase observed in out-of-plane magnetic fields and the superconducting state maintained in anomalously large in-plane magnetic fields. These phenomena are examined in the context of weakened disorder and/or broken spatial inversion symmetry. We conclude with a discussion of how these unconventional properties make highly crystalline 2D systems promising platforms for the exploration of new quantum physics and high-temperature superconductors.

  14. Influence of spin polarization on resistivity of a two-dimensional electron gas in Si MOSFET at metallic densities

    NASA Astrophysics Data System (ADS)

    Shlimak, I.; Butenko, A.; Golosov, D. I.; Friedland, K.-J.; Kravchenko, S. V.

    2012-02-01

    Positive magnetoresistance (PMR) of a silicon MOSFET in parallel magnetic fields B has been measured at high electron densities n nc where nc is the critical density of the metal-insulator transition (MIT). It turns out that the normalized PMR curves, R(B)/R(0), merge together when the field is scaled according to B/Bc(n) where Bc is the field in which electrons become fully spin polarized. The values of Bc have been calculated from the simple equality between the Zeeman splitting energy and the Fermi energy taking into account the experimentally measured dependence of the spin susceptibility on the electron density. This extends the range of validity of the scaling all the way to a deeply metallic regime far away from MIT. The subseqent analysis of PMR for low n>˜ nc demonstrated that the merging of the initial parts of curves can bee achieved only with taking into account the temperature dependence of Bc. It is shown that the shape of the PMR curves at strong magnetic fields is affected by a crossover from a purely two-dimensional (2D) electron transport to a regime where out-of-plane carrier motion becomes important (quasi-three-dimensional regime).

  15. Influence of spin polarization on resistivity of a two-dimensional electron gas in Si MOSFET at metallic densities

    NASA Astrophysics Data System (ADS)

    Shlimak, I.; Butenko, A.; Golosov, D. I.; Friedland, K.-J.; Kravchenko, S. V.

    2012-02-01

    Positive magnetoresistance (PMR) of a silicon MOSFET in parallel magnetic fields B has been measured at high electron densities nGtnc, where nc is the critical density of the metal-insulator transition (MIT). It turns out that the normalized PMR curves, R(B)/R(0), merge together when the field is scaled according to B/Bc(n), where Bc is the field in which electrons become fully spin polarized. The values of Bc have been calculated from the simple equality between the Zeeman splitting energy and the Fermi energy taking into account the experimentally measured dependence of the spin susceptibility on the electron density. This extends the range of validity of the scaling all the way to a deeply metallic regime far away from MIT. The subsequent analysis of PMR for low n\\gtrsim n_{c} demonstrated that the merging of the initial parts of curves can be achieved only with taking into account the temperature dependence of Bc. It is also shown that the shape of the PMR curves at strong magnetic fields is affected by a crossover from a purely two-dimensional (2D) electron transport to a regime where out-of-plane carrier motion becomes important (quasi-three-dimensional regime).

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

    NASA Astrophysics Data System (ADS)

    Challacombe, Matt; Cioslowski, Jerzy

    1994-07-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2014-07-01

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

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

    DOEpatents

    Thode, L.E.

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

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

    SciTech Connect

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

    2006-04-27

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

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

    SciTech Connect

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

    2006-05-18

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

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

    PubMed

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

    2006-08-04

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

  2. 3D electron density imaging using single scattered x rays with application to breast CT and mammographic screening

    NASA Astrophysics Data System (ADS)

    van Uytven, Eric Peter

    Screening mammography is the current standard in detecting breast cancer. However, its fundamental disadvantage is that it projects a 3D object into a 2D image. Small lesions are difficult to detect when superimposed over layers of normal tissue. Commercial Computed Tomography (CT) produces a true 3D image yet has a limited role in mammography due to relatively low resolution and contrast. With the intent of enhancing mammography and breast CT, we have developed an algorithm which can produce 3D electron density images using a single projection. Imaging an object with x rays produces a characteristic scattered photon spectrum at the detector plane. A known incident beam spectrum, beam shape, and arbitrary 3D matrix of electron density values enable a theoretical scattered photon distribution to be calculated. An iterative minimization algorithm is used to make changes to the electron density voxel matrix to reduce regular differences between the theoretical and the experimentally measured distributions. The object is characterized by the converged electron density image. This technique has been validated in simulation using data produced by the EGSnrc Monte Carlo code system. At both mammographic and CT energies, a scanning polychromatic pencil beam was used to image breast tissue phantoms containing lesion-like inhomogeneities. The resulting Monte Carlo data is processed using a Nelder-Mead iterative algorithm (MATLAB) to produce the 3D matrix of electron density values. Resulting images have confirmed the ability of the algorithm to detect various 1x1x2.5 mm3 lesions with calcification content as low as 0.5% (p<0.005) at a dose comparable to mammography.

  3. Visualising the electron density structure of blobs and studying its possible effect on neutral turbulence

    NASA Astrophysics Data System (ADS)

    de la Cal, E.; The TJ-II Team

    2016-10-01

    The electron density n e of turbulent coherent structures (blobs) has been measured at the edge plasma of the TJ-II stellarator using the helium line ratio technique. A spectroscopic high-speed camera set-up allowed 2D imaging of n e with spatial resolutions of a few millimetres and exposure times down to 15 µs. The turbulent plasma density structures have been compared with the raw helium emission structures, which in principle should be similar due to the expected relation between both, and although generally positive (negative) emission structures correspond to n e blobs (holes), we see that the shape is different and that in some cases there is even no correspondence at all. A possible explanation could be that the neutral distribution, which relates the intensity emission with the n e, varies on the same spatio-temporal scale as the plasma turbulence. This would be the case if the local n e variations of blobs and holes regulated the neutral density through ionisation, making it also turbulent within our experimental frequency (<100 kHz) and spatial scale (>1 cm). To study this point we simulate the neutrals with a simple transport model to reconstruct the corresponding measured emission profiles using the experimentally obtained n e and T e radial profiles. We do this for two cases: one where the neutral distribution is stationary and another where the atoms respond to the measured n e blob and get locally depleted through ionisation. Comparing the simulated and experimental emission profiles and looking at the characteristic ionisation times we find clear indications that point to the fact that slow thermal neutrals could react to the plasma fluctuations in the 10-100 kHz frequency range, also becoming turbulent.

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

    NASA Astrophysics Data System (ADS)

    Kakinami, Yoshihiro; Watanabe, Shigeto

    2016-07-01

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

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

    NASA Astrophysics Data System (ADS)

    Man-Hong, Zhang

    2016-05-01

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

  6. Influence of the initial parameters of the magnetic field and plasma on the spatial structure of the electric current and electron density in current sheets formed in helium

    SciTech Connect

    Ostrovskaya, G. V.; Markov, V. S.; Frank, A. G.

    2016-01-15

    The influence of the initial parameters of the magnetic field and plasma on the spatial structure of the electric current and electron density in current sheets formed in helium plasma in 2D and 3D magnetic configurations with X-type singular lines is studied by the methods of holographic interferometry and magnetic measurements. Significant differences in the structures of plasma and current sheets formed at close parameters of the initial plasma and similar configurations of the initial magnetic fields are revealed.

  7. Determination of electron density and temperature in non-LTE plasmas from spectral lines of impurity ions

    NASA Technical Reports Server (NTRS)

    Kunc, Joseph A.

    1988-01-01

    A novel approach for calculating the populations of the excited Li-like ions C IV, N V, O VI, and Ne VIII is presented. The populations of the 2(2P), 3(2S), 3(2P), and 3(2D) electronic levels in these ions in optically thin plasmas with a broad range of electron density, N(e), and temperature, T(e), are determined from the collisional-radiative model by solving the system of rate equations for the production of excited ions; the equations are linear with respect to the excited ion populations, and the N(e) and T(e) are taken as independent variables. These populations are used to determine the ratios of line intensities for dipole allowed transitions between various energy levels. This approach can be applied to impurities other than the lithiumlike ions and is especially useful for diagnostics of systems where nonintrusive spectroscopic techniques must be used.

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

    DOE PAGES

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

    2016-04-21

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

  9. One-atom-thick 2D copper oxide clusters on graphene.

    PubMed

    Kano, Emi; Kvashnin, Dmitry G; Sakai, Seiji; Chernozatonskii, Leonid A; Sorokin, Pavel B; Hashimoto, Ayako; Takeguchi, Masaki

    2017-03-17

    The successful isolation and remarkable properties of graphene have recently triggered investigation of two-dimensional (2D) materials from layered compounds; however, one-atom-thick 2D materials without bulk layered counterparts are scarcely reported. Here we report the structure and properties of novel 2D copper oxide studied by experimental and theoretical methods. Electron microscopy observations reveal that copper oxide can form monoatomic layers with an unusual square lattice on graphene. Density functional theory calculations suggest that oxygen atoms at the centre of the square lattice stabilizes the 2D Cu structure, and that the 2D copper oxide sheets have unusual electronic and magnetic properties different from 3D bulk copper oxide.

  10. Radial Electron Momentum Densities of Colloidal CdSe Nanocrystals Determined by Positron Beam Analysis

    SciTech Connect

    Denison, A B; Meulenberg, R; Eijt, S W H; Van Veen, A; Mijnarends, P E; Barbiellini, B; Bansil, A; Fischer, C; Weber, M H; Lynn, K G

    2003-07-31

    We present depth-resolved positron 2D angular correlation of annihilation radiation (2DACAR) experiments on CdSe quantum dots in the diameter range from 2.5 to 6 nm, deposited as micrometer thin layers. The average radial distribution of the valence electron momentum density (EMD) of CdSe quantum dots has been extracted, which reveals a systematic dependence upon particle size. The quantum confinement related changes and their size scaling observable at the Jones zone momentum of {approx}0.8 a.u. seem to agree with the previous coincidence Doppler study. In addition, the average radial EMD shows an increase in the low-momentum range (<0.6 a.u.) and a reduction in the high-momentum range (>1.6 a.u.) with respect to that measured on a bulk CdSe single crystal. Possible origins of these are described. First-principles calculations based on the Korringa-Kohn-Rostoker (KKR) method were performed to gain a better insight.

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

    NASA Astrophysics Data System (ADS)

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

    1986-11-01

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

  12. Is the decrease of the total electron energy density a covalence indicator in hydrogen and halogen bonds?

    PubMed

    Angelina, Emilio L; Duarte, Darío J R; Peruchena, Nélida M

    2013-05-01

    In this work, halogen bonding (XB) and hydrogen bonding (HB) complexes were studied with the aim of analyzing the variation of the total electronic energy density H(r b ) with the interaction strengthening. The calculations were performed at the MP2/6-311++G(2d,2p) level of approximation. To explain the nature of such interactions, the atoms in molecules theory (AIM) in conjunction with reduced variational space self-consistent field (RVS) energy decomposition analysis were carried out. Based on the local virial theorem, an equation to decompose the total electronic energy density H(r b ) in two energy densities, (-G(r b )) and 1/4∇(2)ρ(r b ), was derived. These energy densities were linked with the RVS interaction energy components. Through the connection between both decomposition schemes, it was possible to conclude that the decrease in H(r b ) with the interaction strengthening observed in the HB as well as the XB complexes, is mainly due to the increase in the attractive electrostatic part of the interaction energy and in lesser extent to the increase in its covalent character, as is commonly considered.

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

    NASA Astrophysics Data System (ADS)

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

    2017-01-01

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

  14. Valleytronics in 2D materials

    NASA Astrophysics Data System (ADS)

    Schaibley, John R.; Yu, Hongyi; Clark, Genevieve; Rivera, Pasqual; Ross, Jason S.; Seyler, Kyle L.; Yao, Wang; Xu, Xiaodong

    2016-11-01

    Semiconductor technology is currently based on the manipulation of electronic charge; however, electrons have additional degrees of freedom, such as spin and valley, that can be used to encode and process information. Over the past several decades, there has been significant progress in manipulating electron spin for semiconductor spintronic devices, motivated by potential spin-based information processing and storage applications. However, experimental progress towards manipulating the valley degree of freedom for potential valleytronic devices has been limited until very recently. We review the latest advances in valleytronics, which have largely been enabled by the isolation of 2D materials (such as graphene and semiconducting transition metal dichalcogenides) that host an easily accessible electronic valley degree of freedom, allowing for dynamic control.

  15. Electron density dependence of impedance probe plasma potential measurements

    SciTech Connect

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

    2015-08-15

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

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

    NASA Astrophysics Data System (ADS)

    Lazarov, Vlado

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

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

    NASA Astrophysics Data System (ADS)

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

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2017-02-01

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

  20. Fast tokamak plasma flux and electron density reconstruction technique

    SciTech Connect

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

    1997-01-01

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

  1. Documentation and verification of VST2D; a model for simulating transient, Variably Saturated, coupled water-heat-solute Transport in heterogeneous, anisotropic 2-Dimensional, ground-water systems with variable fluid density

    USGS Publications Warehouse

    Friedel, Michael J.

    2001-01-01

    This report describes a model for simulating transient, Variably Saturated, coupled water-heatsolute Transport in heterogeneous, anisotropic, 2-Dimensional, ground-water systems with variable fluid density (VST2D). VST2D was developed to help understand the effects of natural and anthropogenic factors on quantity and quality of variably saturated ground-water systems. The model solves simultaneously for one or more dependent variables (pressure, temperature, and concentration) at nodes in a horizontal or vertical mesh using a quasi-linearized general minimum residual method. This approach enhances computational speed beyond the speed of a sequential approach. Heterogeneous and anisotropic conditions are implemented locally using individual element property descriptions. This implementation allows local principal directions to differ among elements and from the global solution domain coordinates. Boundary conditions can include time-varying pressure head (or moisture content), heat, and/or concentration; fluxes distributed along domain boundaries and/or at internal node points; and/or convective moisture, heat, and solute fluxes along the domain boundaries; and/or unit hydraulic gradient along domain boundaries. Other model features include temperature and concentration dependent density (liquid and vapor) and viscosity, sorption and/or decay of a solute, and capability to determine moisture content beyond residual to zero. These features are described in the documentation together with development of the governing equations, application of the finite-element formulation (using the Galerkin approach), solution procedure, mass and energy balance considerations, input requirements, and output options. The VST2D model was verified, and results included solutions for problems of water transport under isohaline and isothermal conditions, heat transport under isobaric and isohaline conditions, solute transport under isobaric and isothermal conditions, and coupled water

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

    SciTech Connect

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

    2015-06-14

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

  3. Materials for high-density electronic packaging and interconnection

    NASA Technical Reports Server (NTRS)

    1990-01-01

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

  4. Electronic Structure Methods Based on Density Functional Theory

    DTIC Science & Technology

    2010-01-01

    L. Nordström, L. Tongming, and B. Johansson, “Relativistic Effects on the Thermal Expansion of the Actinide Elements ”, Phys. Rev. B 42, 1990, p 4544...In-house 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 62102F 6. AUTHOR(S) Christopher F. Woodward (AFRL/RXLMD) 5d. PROJECT NUMBER 4347 5e...in valence electrons change the structure of the core electrons. For example in the actinides , where the f-electrons are coupled to the core states

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

    SciTech Connect

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

    2012-06-15

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

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

    NASA Astrophysics Data System (ADS)

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

    2001-10-01

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

  7. Long-lived magnetoexcitons in 2D-fermion system

    NASA Astrophysics Data System (ADS)

    Kulik, L. V.; Zhuravlev, A. S.; Gorbunov, A. V.; Timofeev, V. B.; Kukushkin, I. V.

    2017-01-01

    The paper addresses the experimental technique that, when applied to a 2D-electron system in the integer quantum Hall regime with filling factor ν = 2 (the Hall insulating state), allows resonant excitation of magnetoexcitons, their detection, control of an ensemble of long-lived triplet excitons and investigation of their radiationless decay related to exciton spin relaxation into the ground state. The technique proposed enables independent control of photoexcited electrons and Fermi-holes using photoinduced resonance reflection spectra as well as estimate with a reasonable degree of accuracy the resulting density of photoinduced electron-hole pairs bound into magnetoexcitons. The mere existence of triplet excitons was directly established by inelastic light scattering spectra which were analyzed to determine the value of singlet-triplet exciton splitting. It was found that the lifetimes of triplet excitons conditioned by electron spin relaxation in highly perfect GaAs/AlGaAs heterostructures with highly mobile 2D electrons are extremely long exceeding 100 μs at T < 1 K. The paper presents a qualitative explanation of the long-spin relaxation lifetimes which are unprecedented for translation-invariant 2D systems. This enabled us to create sufficiently high concentrations of triplet magnetoexcitons, electrically neutral excitations following Bose-Einstein statistics, in a Fermi electron system and investigate their collective properties. At sufficiently high densities of triplet magnetoexcitons and low temperatures, T < 1 K, the degenerate magnetofermionic system exhibits condensation of the triplet magnetoexcitons into a qualitatively new collective state with unusual properties which occurs in the space of generalized moments (magnetic translation vectors). The occurrence of a condensed phase is accompanied with a significant decrease in the viscosity of the photoexcited system, which is responsible for electron spin transport at macroscopic distances, as well

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

    DOEpatents

    Thode, Lester E.

    1981-01-01

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

  9. Materials for High-Density Electronic Packaging and Interconnection

    DTIC Science & Technology

    1990-04-10

    34 wire "-based systems. An additional study of optical interconnection is strongly recommended’. The literature on electronic packaging has recently...along with the physical design of the electronic systems, and today’s structures represent engineering optimization of many factors. It is of little...34 options exist, including the use of face-down, " beam -lead" or TAB lead frame arrangements, and also face-up wire - bonded configurations. Following

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

    NASA Astrophysics Data System (ADS)

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

    2012-07-01

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

  11. 3D analysis of synaptic vesicle density and distribution after acute foot-shock stress by using serial section transmission electron microscopy.

    PubMed

    Khanmohammadi, M; Darkner, S; Nava, N; Nyengaard, J R; Wegener, G; Popoli, M; Sporring, J

    2017-01-01

    Behavioural stress has shown to strongly affect neurotransmission within the neocortex. In this study, we analysed the effect of an acute stress model on density and distribution of neurotransmitter-containing vesicles within medial prefrontal cortex. Serial section transmission electron microscopy was employed to compare two groups of male rats: (1) rats subjected to foot-shock stress and (2) rats with sham stress as control group. Two-dimensional (2D) density measures are common in microscopic images and are estimated by following a 2D path in-section. However, this method ignores the slant of the active zone and thickness of the section. In fact, the active zone is a surface in three-dimension (3D) and the 2D measures do not accurately reflect the geometric configuration unless the active zone is perpendicular to the sectioning angle. We investigated synaptic vesicle density as a function of distance from the active zone in 3D. We reconstructed a 3D dataset by estimating the thickness of all sections and by registering all the image sections into a common coordinate system. Finally, we estimated the density as the average number of vesicles per area and volume and modelled the synaptic vesicle distribution by fitting a one-dimensional parametrized distribution that took into account the location uncertainty due to section thickness. Our results showed a clear structural difference in synaptic vesicle density and distribution between stressed and control group with improved separation by 3D measures in comparison to the 2D measures. Our results showed that acute foot-shock stress exposure significantly affected both the spatial distribution and density of the synaptic vesicles within the presynaptic terminal.

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

    NASA Astrophysics Data System (ADS)

    Cioslowski, Jerzy; Lopez-Boada, Roberto

    1998-07-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  14. Electron density dynamics in the electronic ground state: motion along the Kekulé mode of benzene.

    PubMed

    Schild, Axel; Choudhary, Deepanshu; Sambre, Vaibhav D; Paulus, Beate

    2012-11-26

    If the Born-Oppenheimer approximation is invoked for the description of chemical reactions, the electron density rearranges following the motion of the nuclei. Even though this approach is central to theoretical chemistry, the explicit time dependence of the electron density is rarely studied, especially if the nuclei are treated quantum mechanically. In this article, we model the motion of benzene along the Kekulé vibrational coordinate to simulate the nuclear dynamics and electron density dynamics in the electronic ground state. Details of the change of core, valence, and π electrons are determined and analyzed. We show how the pictures anticipated by drawing Lewis structures of the rearrangement correlate with the time-dependent quantum description of the process.

  15. High density electronic circuit and process for making

    DOEpatents

    Morgan, W.P.

    1999-06-29

    High density circuits with posts that protrude beyond one surface of a substrate to provide easy mounting of devices such as integrated circuits are disclosed. The posts also provide stress relief to accommodate differential thermal expansion. The process allows high interconnect density with fewer alignment restrictions and less wasted circuit area than previous processes. The resulting substrates can be test platforms for die testing and for multi-chip module substrate testing. The test platform can contain active components and emulate realistic operational conditions, replacing shorts/opens net testing. 8 figs.

  16. High density electronic circuit and process for making

    DOEpatents

    Morgan, William P.

    1999-01-01

    High density circuits with posts that protrude beyond one surface of a substrate to provide easy mounting of devices such as integrated circuits. The posts also provide stress relief to accommodate differential thermal expansion. The process allows high interconnect density with fewer alignment restrictions and less wasted circuit area than previous processes. The resulting substrates can be test platforms for die testing and for multi-chip module substrate testing. The test platform can contain active components and emulate realistic operational conditions, replacing shorts/opens net testing.

  17. Quantitation of molecular densities by cryo-electron microscopy. Determination of the radial density distribution of tobacco mosaic virus.

    PubMed

    Smith, M F; Langmore, J P

    1992-08-05

    We have determined the absolute mass and radial scattering density distribution of tobacco mosaic virus in the frozen-hydrated state by energy-filtered low-dose bright-field transmission electron microscopy. The absolute magnitude of electron scattering from tobacco mosaic virus in 150 nm of ice was within 3.0% of that predicted, with inelastic scattering accounting for approximately 80% of the scattering contrast. In order to test the accuracy of the radial reconstruction, a computer model of tobacco mosaic virus was built from the atomic co-ordinates assuming uniform solvent density. The validity of the model was confirmed by comparison of X-ray scattering and predictions of the model (R factor = 0.05). First-order corrections for the microscope contrast transfer function were necessary and sufficient for conversion of the cryo-electron microscopy images into accurate representations of the mass density. At 1.9 nm resolution the compensated reconstruction and model had density peaks of similar magnitude at 2.4, 4.2, 6.0 and 7.8 nm radius and a central hole of 2 nm radius. Equatorial Fourier transforms of the corrected electron images were in excellent agreement with predictions of the model (R factor = 0.12). Thus, the uniform solvent approximation was adequate at 1.9 nm resolution to describe quantitatively X-ray scattering in liquid water and electron imaging in vitreous ice. This is the first demonstration that cryo-electron microscopy images can be used to quantitate the absolute mass, mass per unit length and internal density distributions of proteins and nucleic acids.

  18. Vertical 2D Heterostructures

    NASA Astrophysics Data System (ADS)

    Lotsch, Bettina V.

    2015-07-01

    Graphene's legacy has become an integral part of today's condensed matter science and has equipped a whole generation of scientists with an armory of concepts and techniques that open up new perspectives for the postgraphene area. In particular, the judicious combination of 2D building blocks into vertical heterostructures has recently been identified as a promising route to rationally engineer complex multilayer systems and artificial solids with intriguing properties. The present review highlights recent developments in the rapidly emerging field of 2D nanoarchitectonics from a materials chemistry perspective, with a focus on the types of heterostructures available, their assembly strategies, and their emerging properties. This overview is intended to bridge the gap between two major—yet largely disjunct—developments in 2D heterostructures, which are firmly rooted in solid-state chemistry or physics. Although the underlying types of heterostructures differ with respect to their dimensions, layer alignment, and interfacial quality, there is common ground, and future synergies between the various assembly strategies are to be expected.

  19. Evaluation of super-resolution performance of the K2 electron-counting camera using 2D crystals of aquaporin-0

    PubMed Central

    Chiu, Po-Lin; Li, Xueming; Li, Zongli; Beckett, Brian; Brilot, Axel F.; Grigorieff, Nikolaus; Agard, David A.; Cheng, Yifan; Walz, Thomas

    2015-01-01

    The K2 Summit camera was initially the only commercially available direct electron detection camera that was optimized for high-speed counting of primary electrons and was also the only one that implemented centroiding so that the resolution of the camera can be extended beyond the Nyquist limit set by the physical pixel size. In this study, we used well-characterized two-dimensional crystals of the membrane protein aquaporin-0 to characterize the performance of the camera below and beyond the physical Nyquist limit and to measure the influence of electron dose rate on image amplitudes and phases. PMID:26318383

  20. Evaluation of super-resolution performance of the K2 electron-counting camera using 2D crystals of aquaporin-0.

    PubMed

    Chiu, Po-Lin; Li, Xueming; Li, Zongli; Beckett, Brian; Brilot, Axel F; Grigorieff, Nikolaus; Agard, David A; Cheng, Yifan; Walz, Thomas

    2015-11-01

    The K2 Summit camera was initially the only commercially available direct electron detection camera that was optimized for high-speed counting of primary electrons and was also the only one that implemented centroiding so that the resolution of the camera can be extended beyond the Nyquist limit set by the physical pixel size. In this study, we used well-characterized two-dimensional crystals of the membrane protein aquaporin-0 to characterize the performance of the camera below and beyond the physical Nyquist limit and to measure the influence of electron dose rate on image amplitudes and phases.

  1. High-energy-density electron jet generation from an opening gold cone filled with near-critical-density plasma

    SciTech Connect

    Yu, T. P. Shao, F. Q.; Zou, D. B.; Ge, Z. Y.; Zhang, G. B.; Wang, W. Q.; Li, X. H.; Liu, J. X.; Ouyang, J. M.; Yu, W.; Luan, S. X.; Wang, J. W.; Wong, A. Y.

    2015-01-14

    By using two-dimensional particle-in-cell simulations, we propose a scheme for strong coupling of a petawatt laser with an opening gold cone filled with near-critical-density plasmas. When relevant parameters are properly chosen, most laser energy can be fully deposited inside the cone with only 10% leaving the tip opening. Due to the asymmetric ponderomotive acceleration by the strongly decayed laser pulse, high-energy-density electrons with net laser energy gain are accumulated inside the cone, which then stream out of the tip opening continuously, like a jet. The jet electrons are fully relativistic, with speeds around 0.98−0.998 c and densities at 10{sup 20}/cm{sup 3} level. The jet can keep for a long time over 200 fs, which may have diverse applications in practice.

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

    PubMed

    Domingo, Luis R

    2016-09-30

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

  3. Modern Possibilities for Calculating Some Properties of Molecules and Crystals from the Experimental Electron Density

    SciTech Connect

    Stash, A.I.; Tsirelson, V.G.

    2005-03-01

    Methods for calculating some properties of molecules and crystals from the electron density reconstructed from a precise X-ray diffraction experiment using the multipole model are considered. These properties include, on the one hand, the characteristics of the electron density and the inner-crystal electrostatic field and, on the other hand, the local electronic energies (kinetic, potential, total), the exchange energy density, the electron-pair localization function, the localized-orbital locator, the effective crystal potential, and others. It is shown that the integration of these characteristics over pseudoatomic volumes bounded by the surfaces of the zero flux of the electron density gradient makes it possible to characterize directly from an experiment the properties of molecules and crystals in terms of the atomic contributions. The computer program WinXPRO2004, realizing these possibilities, is briefly described.

  4. Influence of the electronic plasma density on the wave particle interaction

    NASA Astrophysics Data System (ADS)

    Sicard-Piet, Angelica; Boscher, Daniel

    2013-04-01

    The wave particle interaction, which is well known to be a major phenomenon in the electron radiation belts dynamics, is based on two main parameters: the characteristics of the wave (type of wave, intensity,…) and the characteristics of the ambient plasma. In this work we studied the second parameter. On one side, the electronic plasma density can be derived from in-situ measurements. On the other side, several empirical models exist: GCPM, IZMIRAN or Carpenter models. Here, we compared electronic plasma densities derived from in-situ measurements each other and with existing models. Then, we investigated on the electronic plasma density distribution to distinguish the inside to the outside plasmasphere. Finally, the effect of the electronic plasma density on the diffusion coefficients due to wave particle interaction has been studied via a numerical code, called WAPI, based on quasi linear theory.

  5. The effects of a multidensity plasma on ultraviolet spectroscopic electron density diagnostics

    NASA Technical Reports Server (NTRS)

    Doschek, G. A.

    1984-01-01

    Spectroscopic electron density diagnostics have been developed for interpretation of UV, EUV, and X-ray emission line spectra of solar and other astrophysical plasmas, and tokamak plasmas. In principle, accurate electron densities can be determined. However, in practice, a number of difficulties arise with respect to the determination of very accurate electron densities in the 1100-3000 A region. The present study has the objective to investigate one of these difficulties, taking into account the effect on line ratios produced by a source composed of several regions of substantially different densities, all at the same temperature. The study is in particular concerned with a source in which small high density knots are embedded in low-density plasma. Attention is given to line ratios involving the O IV multiplet near 1400 A, obtained from the spectrum of a surge observed outside the solar limb.

  6. Simultaneous measurement of core electron temperature and density fluctuations during electron cyclotron heating on DIII-D

    SciTech Connect

    White, A. E.; Schmitz, L.; Peebles, W. A.; Rhodes, T. L.; Carter, T. A.; McKee, G. R.; Shafer, M. W.; Staebler, G. M.; Burrell, K. H.; DeBoo, J. C.; Prater, R.

    2010-02-15

    New measurements show that long-wavelength (k{sub t}hetarho{sub s}<0.5) electron temperature fluctuations can play an important role in determining electron thermal transport in low-confinement mode (L-mode) tokamak plasmas. In neutral beam-heated L-mode tokamak plasmas, electron thermal transport and the amplitude of long-wavelength electron temperature fluctuations both increase in cases where local electron cyclotron heating (ECH) is used to modify the plasma profiles. In contrast, the amplitude of simultaneously measured long-wavelength density fluctuations does not significantly increase. Linear stability analysis indicates that the ratio of the trapped electron mode (TEM) to ion temperature gradient (ITG) mode growth rates increases in the cases with ECH. The increased importance of the TEM drive relative to the ITG mode drive in the cases with ECH may be associated with the increases in electron thermal transport and electron temperature fluctuations.

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

    NASA Astrophysics Data System (ADS)

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

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

  8. 2D semiconductor optoelectronics

    NASA Astrophysics Data System (ADS)

    Novoselov, Kostya

    The advent of graphene and related 2D materials has recently led to a new technology: heterostructures based on these atomically thin crystals. The paradigm proved itself extremely versatile and led to rapid demonstration of tunnelling diodes with negative differential resistance, tunnelling transistors, photovoltaic devices, etc. By taking the complexity and functionality of such van der Waals heterostructures to the next level we introduce quantum wells engineered with one atomic plane precision. Light emission from such quantum wells, quantum dots and polaritonic effects will be discussed.

  9. Theoretical discussion for electron-density distribution in multicusp ion source

    SciTech Connect

    Zhan Hualin; Hu Chundong; Xie Yahong; Wu Bin; Wang Jinfang; Liang Lizheng; Wei Jianglong

    2011-03-21

    By introducing some ideas of magnetohydrodynamics (MHD) and kinetic theories, some useful solutions for electron-density distribution in the radial direction in multicusp ion source are obtained. Therefore, some conclusions are made in this perspective: 1, the electron-density distributions in a specific region in the sheath are the same with or without magnetic field; 2, the influence of magnetic field on the electron density obeys exponential law, which should take into account the collision term as well if the magnetic field is strong; 3, the result derived from the Boltzmann equation is qualitatively consistent with some given experimental results.

  10. Screening and transport in 2D semiconductor systems at low temperatures.

    PubMed

    Das Sarma, S; Hwang, E H

    2015-11-17

    Low temperature carrier transport properties in 2D semiconductor systems can be theoretically well-understood within RPA-Boltzmann theory as being limited by scattering from screened Coulomb disorder arising from random quenched charged impurities in the environment. In this work, we derive a number of analytical formula, supported by realistic numerical calculations, for the relevant density, mobility, and temperature range where 2D transport should manifest strong intrinsic (i.e., arising purely from electronic effects) metallic temperature dependence in different semiconductor materials arising entirely from the 2D screening properties, thus providing an explanation for why the strong temperature dependence of the 2D resistivity can only be observed in high-quality and low-disorder 2D samples and also why some high-quality 2D materials manifest much weaker metallicity than other materials. We also discuss effects of interaction and disorder on the 2D screening properties in this context as well as compare 2D and 3D screening functions to comment why such a strong intrinsic temperature dependence arising from screening cannot occur in 3D metallic carrier transport. Experimentally verifiable predictions are made about the quantitative magnitude of the maximum possible low-temperature metallicity in 2D systems and the scaling behavior of the temperature scale controlling the quantum to classical crossover.

  11. Screening and transport in 2D semiconductor systems at low temperatures

    PubMed Central

    Das Sarma, S.; Hwang, E. H.

    2015-01-01

    Low temperature carrier transport properties in 2D semiconductor systems can be theoretically well-understood within RPA-Boltzmann theory as being limited by scattering from screened Coulomb disorder arising from random quenched charged impurities in the environment. In this work, we derive a number of analytical formula, supported by realistic numerical calculations, for the relevant density, mobility, and temperature range where 2D transport should manifest strong intrinsic (i.e., arising purely from electronic effects) metallic temperature dependence in different semiconductor materials arising entirely from the 2D screening properties, thus providing an explanation for why the strong temperature dependence of the 2D resistivity can only be observed in high-quality and low-disorder 2D samples and also why some high-quality 2D materials manifest much weaker metallicity than other materials. We also discuss effects of interaction and disorder on the 2D screening properties in this context as well as compare 2D and 3D screening functions to comment why such a strong intrinsic temperature dependence arising from screening cannot occur in 3D metallic carrier transport. Experimentally verifiable predictions are made about the quantitative magnitude of the maximum possible low-temperature metallicity in 2D systems and the scaling behavior of the temperature scale controlling the quantum to classical crossover. PMID:26572738

  12. Wavefront-sensor-based electron density measurements for laser-plasma accelerators

    SciTech Connect

    Plateau, Guillaume; Matlis, Nicholas; Geddes, Cameron; Gonsalves, Anthony; Shiraishi, Satomi; Lin, Chen; van Mourik, Reinier; Leemans, Wim

    2010-02-20

    Characterization of the electron density in laser produced plasmas is presented using direct wavefront analysis of a probe laser beam. The performance of a laser-driven plasma-wakefield accelerator depends on the plasma wavelength, hence on the electron density. Density measurements using a conventional folded-wave interferometer and using a commercial wavefront sensor are compared for different regimes of the laser-plasma accelerator. It is shown that direct wavefront measurements agree with interferometric measurements and, because of the robustness of the compact commercial device, have greater phase sensitivity, straightforward analysis, improving shot-to-shot plasma-density diagnostics.

  13. Experimental Characterization of the Electron Heat Transport in Low-Density ASDEX Upgrade Plasmas

    SciTech Connect

    Ryter, F.; Imbeaux, F.; Leuterer, F.; Fahrbach, H.-U.; Suttrop, W.; ASDEX Upgrade Team

    2001-06-11

    The electron heat transport is investigated in ASDEX Upgrade conventional L -mode plasmas with pure electron heating provided by electron-cyclotron heating (ECH) at low density. Under these conditions, steady-state and ECH modulation experiments indicate without ambiguity that electron heat transport exhibits a clear threshold in {nabla}T{sub e}/T{sub e} and also suggest that it has a gyro-Bohm character.

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

    SciTech Connect

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

    2016-02-10

    X-ray phase-contrast techniques can measure electron density gradients in high-energy-density plasmas through refraction induced phase shifts. An 8 keV Talbot-Lau interferometer consisting of free standing ultrathin gratings was deployed at an ultra-short, high-intensity laser system using K-shell emission from a 1-30 J, 8 ps laser pulse focused on thin Cu foil targets. Grating survival was demonstrated for 30 J, 8 ps laser pulses. The first x-ray deflectometry images obtained under laser backlighting showed up to 25% image contrast and thus enabled detection of electron areal density gradients with a maximum value of 8.1 ± 0.5 × 1023 cm₋3 in a low-Z millimeter sized sample. An electron density profile was obtained from refraction measurements with an error of <8%. We found the 50 ± 15 μm spatial resolution achieved across the full field of view was limited by the x-ray source-size, similar to conventional radiography.

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

    DOE PAGES

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

    2016-02-10

    X-ray phase-contrast techniques can measure electron density gradients in high-energy-density plasmas through refraction induced phase shifts. An 8 keV Talbot-Lau interferometer consisting of free standing ultrathin gratings was deployed at an ultra-short, high-intensity laser system using K-shell emission from a 1-30 J, 8 ps laser pulse focused on thin Cu foil targets. Grating survival was demonstrated for 30 J, 8 ps laser pulses. The first x-ray deflectometry images obtained under laser backlighting showed up to 25% image contrast and thus enabled detection of electron areal density gradients with a maximum value of 8.1 ± 0.5 × 1023 cm₋3 in amore » low-Z millimeter sized sample. An electron density profile was obtained from refraction measurements with an error of <8%. We found the 50 ± 15 μm spatial resolution achieved across the full field of view was limited by the x-ray source-size, similar to conventional radiography.« less

  16. Ionospheric electron density inversion for Global Navigation Satellite Systems radio occultation using aided Abel inversions

    NASA Astrophysics Data System (ADS)

    Chou, Min Yang; Lin, Charles C. H.; Tsai, Ho Fang; Lin, Chi Yen

    2017-01-01

    The Abel inversion of ionospheric electron density profiles with the assumption of spherical symmetry applied for radio occultation soundings could introduce a greater systematic error or sometimes artifacts if the occultation rays trespass regions with larger horizontal gradients in electron density. The aided Abel inversions have been proposed by considering the asymmetry ratio derived from ionospheric total electron content (TEC) or peak density (NmF2) of reconstructed observation maps since knowledge of the horizontal asymmetry in ambient ionospheric density could mitigate the inversion error. Here we propose a new aided Abel inversion using three-dimensional time-dependent electron density (Ne) based on the climatological maps constructed from previous observations, as it has an advantage of providing altitudinal information on the horizontal asymmetry. Improvement of proposed Ne-aided Abel inversion and comparisons with electron density profiles inverted from the NmF2- and TEC-aided inversions are studied using observation system simulation experiments. Comparison results show that all three aided Abel inversions improve the ionospheric profiling by mitigating the artificial plasma caves and negative electron density in the daytime E region. The equatorial ionization anomaly crests in the F region become more distinct. The statistical results show that the Ne-aided Abel inversion has less mean and RMS error of error percentage above 250 km altitudes, and the performances for all aided Abel inversions are similar below 250 km altitudes.

  17. Warm O(+) polar wind and the DE-1 polar cap electron density profile

    NASA Technical Reports Server (NTRS)

    Ho, C. W.; Horwitz, J. L.

    1993-01-01

    Theoretical steady state semikinetic polar wind density profiles, based on DE1/RIMS polar wind data (up to 3700 km), were obtained which agree very well with the power law electron density profile measured by the DE1/PWI for high altitudes. The polar wind is found to be O(+) dominated for the full altitude range considered (up to 8 R(E)). Multiple solutions are obtained for various combinations of base altitude ion temperatures and electron temperatures, such that the densities fit the Persoon et al. (1983) profile. For example, good fits to measured density profile are found for low base ion temperatures (5000 K) and high electron temperatures (9000 K), and also for unheated H(+) and O(+)(3000 K) with electron temperatures of 11,000 K. Below 2.8 R(E) the theoretical polar wind density deviates somewhat from the r exp -3.85 power law. It is concluded that this theoretical polar wind density profile, with a sum of base electron and ion temperatures of 14,000 K, yields a close match with the measured DE-1 electron density profile.

  18. An improved inversion for FORMOSAT-3/COSMIC ionosphere electron density profiles

    NASA Astrophysics Data System (ADS)

    Pedatella, N. M.; Yue, X.; Schreiner, W. S.

    2015-10-01

    An improved method to retrieve electron density profiles from Global Positioning System (GPS) radio occultation (RO) data is presented and applied to Constellation Observing System for Meteorology, Ionosphere, and Climate (COSMIC) observations. The improved inversion uses a monthly grid of COSMIC F region peak densities (NmF2), which are obtained via the standard Abel inversion, to aid the Abel inversion by providing information on the horizontal gradients in the ionosphere. This lessens the impact of ionospheric gradients on the retrieval of GPS RO electron density profiles, reducing the dominant error source in the standard Abel inversion. Results are presented that demonstrate the NmF2 aided retrieval significantly improves the quality of the COSMIC electron density profiles. Improvements are most notable at E region altitudes, where the improved inversion reduces the artificial plasma cave that is generated by the Abel inversion spherical symmetry assumption at low latitudes during the daytime. Occurrence of unphysical negative electron densities at E region altitudes is also reduced. Furthermore, the NmF2 aided inversion has a positive impact at F region altitudes, where it results in a more distinct equatorial ionization anomaly. COSMIC electron density profiles inverted using our new approach are currently available through the University Corporation for Atmospheric Research COSMIC Data Analysis and Archive Center. Owing to the significant improvement in the results, COSMIC data users are encouraged to use electron density profiles based on the improved inversion rather than those inverted by the standard Abel inversion.

  19. Modeling the uniform transport in thin film SOI MOSFETs with a Monte-Carlo simulator for the 2D electron gas

    NASA Astrophysics Data System (ADS)

    Lucci, Luca; Palestri, Pierpaolo; Esseni, David; Selmi, Luca

    2005-09-01

    In this paper, we present simulations of some of the most relevant transport properties of the inversion layer of ultra-thin film SOI devices with a self-consistent Monte-Carlo transport code for a confined electron gas. We show that size induced quantization not only decreases the low-field mobility (as experimentally found in [Uchida K, Koga J, Ohba R, Numata T, Takagi S. Experimental eidences of quantum-mechanical effects on low-field mobility, gate-channel capacitance and threshold voltage of ultrathin body SOI MOSFETs, IEEE IEDM Tech Dig 2001;633-6; Esseni D, Mastrapasqua M, Celler GK, Fiegna C, Selmi L, Sangiorgi E. Low field electron and hole mobility of SOI transistors fabricated on ultra-thin silicon films for deep sub-micron technology application. IEEE Trans Electron Dev 2001;48(12):2842-50; Esseni D, Mastrapasqua M, Celler GK, Fiegna C, Selmi L, Sangiorgi E, An experimental study of mobility enhancement in ultra-thin SOI transistors operated in double-gate mode, IEEE Trans Electron Dev 2003;50(3):802-8. [1-3

  20. Phase diagram of electronic systems with quadratic Fermi nodes in 2 <d <4 : 2 +ɛ expansion, 4 -ɛ expansion, and functional renormalization group

    NASA Astrophysics Data System (ADS)

    Janssen, Lukas; Herbut, Igor F.

    2017-02-01

    Several materials in the regime of strong spin-orbit interaction such as HgTe, the pyrochlore iridate Pr2Ir2O7 , and the half-Heusler compound LaPtBi, as well as various systems related to these three prototype materials, are believed to host a quadratic band touching point at the Fermi level. Recently, it has been proposed that such a three-dimensional gapless state is unstable to a Mott-insulating ground state at low temperatures when the number of band touching points N at the Fermi level is smaller than a certain critical number Nc. We further substantiate and quantify this scenario by various approaches. Using ɛ expansion near two spatial dimensions, we show that Nc=64 /(25 ɛ2) +O (1 /ɛ ) and demonstrate that the instability for N 2 <d <4 . Directly in d =3 we therewith find Nc=1.86 , and thus again above the physical N =1 . All these results are consistent with the prediction that the interacting ground state of pure, unstrained HgTe, and possibly also Pr2Ir2O7 , is a strong topological insulator with a dynamically generated gap—a topological Mott insulator.

  1. Triglyceride High-Density Lipoprotein Ratios Predict Glycemia-Lowering in Response to Insulin Sensitizing Drugs in Type 2 Diabetes: A Post Hoc Analysis of the BARI 2D

    PubMed Central

    Zonszein, Joel; Lombardero, Manuel; Ismail-Beigi, Faramarz; Palumbo, Pasquale; Foucher, Suzy; Groenewoud, Yolanda; Cushing, Gary; Wajchenberg, Bernardo; Genuth, Saul; BARI 2D Study Group

    2015-01-01

    Glycemic management is central in prevention of small vessel and cardiovascular complications in type 2 diabetes. With the plethora of newer medications and recommendations for a patient centered approach, more information is necessary to match the proper drug to each patient. We showed that BARI 2D, a five-year trial designed to compare two different glycemic treatment strategies, was suitable for assessing different responses according to different phenotypic characteristics. Treatment with insulin sensitizing medications such as thiazolidinediones and metformin was more effective in improving glycemic control, particularly in the more insulin resistant patient, when compared to the insulin provision strategy using insulin and or sulfonylureas. Triglyceride and high density lipoprotein ratio (TG/HDL-cholesterol ratio) was found to be a readily available and practical biomarker that helps to identify the insulin resistant patient. These results support the concept that not all medications for glycemic control work the same in all patients. Thus, tailored therapy can be done using phenotypic characteristics rather than a “one-size-fits-all approach.” PMID:26106623

  2. A simple and straightforward expression for curling probe electron density diagnosis in reactive plasmas

    NASA Astrophysics Data System (ADS)

    Arshadi, Ali; Brinkmann, Ralf Peter; Hotta, Masaya; Nakamura, Keiji

    2017-04-01

    Active plasma resonance spectroscopy (APRS) refers to the family of plasma diagnostic methods which utilize the ability of plasmas to resonate at frequencies close to the plasma frequency. APRS operates by exciting the plasma with a weak RF signal by means of a small electric probe. The response of the plasma is recorded by a network analyzer (NA). A mathematical model is applied to derive characteristics like the electron density and the electron temperature. The curling probe is a promising realization of APRS. The curling probe is well-qualified for the local measurement of the electron density in reactive plasmas. This spiral probe resonates in plasma at a larger density dependent frequency than the plasma frequency. This manuscript represents a simple and straightforward expression relating this resonance frequency to the electron density of the plasma. A good agreement is observed between the proposed expression and the results obtained from previous studies and numerical simulations.

  3. High energy density capacitors for power electronic applications using nano-structure multilayer technology

    SciTech Connect

    Barbee, T.W. Jr.; Johnson, G.W.

    1995-09-01

    Power electronics applications are currently limited by capacitor size and performance. Only incremental improvements are anticipated in existing capacitor technologies, while significant performance advances are required in energy density and overall performance to meet the technical needs of the applications which are important for U.S. economic competitiveness. One application, the Power Electronic Building Block (PEBB), promises a second electronics revolution in power electronic design. High energy density capacitors with excellent electrical thermal and mechanical performance represent an enabling technology in the PEBB concept. We propose a continuing program to research and develop LLNL`s nano-structure multilayer technologies for making high voltage, high energy density capacitors. Our controlled deposition techniques are capable of synthesizing extraordinarily smooth sub-micron thick layers of dielectric and conductor materials. We have demonstrated that, with this technology, high voltage capacitors with an order of magnitude improvement in energy density are achievable.

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

    NASA Technical Reports Server (NTRS)

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

    1986-01-01

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

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

    NASA Astrophysics Data System (ADS)

    Overgaard, J.; Hibbs, D. E.

    2004-09-01

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

  6. Seasonal and solar activity variability of D-region electron density at 69°N

    NASA Astrophysics Data System (ADS)

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

    2011-06-01

    A narrow beam Doppler radar operating at 3.17 MHz and installed close to the Andøya Rocket Range in Andenes, Norway, (69.3°N, 16.0°E) has been providing electron densities in the lower ionosphere since summer 2003. The experiment utilizes partial reflection of ordinary and extraordinary component waves from scatterers in the altitude range 50-95 km to estimate electron densities from differential absorption and differential phase measurements. These ground-based observations are in good agreement with concurrent rocket-borne radio wave propagation measurements at Andenes. Results of the diurnal and seasonal variability of electron densities and the response of D-region electron densities to solar activity storms are presented.

  7. Automated determination of electron density from electric field measurements on the Van Allen Probes spacecraft

    NASA Astrophysics Data System (ADS)

    Zhelavskaya, Irina; Kurth, William; Spasojevic, Maria; Shprits, Yuri

    2016-07-01

    We present the Neural-network-based Upper-hybrid Resonance Determination (NURD) algorithm for automatic inference of the electron number density from plasma wave measurements made onboard NASA's Van Allen Probes mission. A feedforward neural network is developed to determine the upper hybrid resonance frequency, f_{uhr}, from electric field measurements, which is then used to calculate the electron number density. In previous missions, the plasma resonance bands were manually identified, and there have been few attempts to do robust, routine automated detections. We describe the design and implementation of the algorithm and perform an initial analysis of the resulting electron number density distribution obtained by applying NURD to 2.5 years of data collected with the EMFISIS instrumentation suite of the Van Allen Probes mission. Densities obtained by NURD are compared to those obtained by another recently developed automated technique and also to an existing empirical plasmasphere and trough density model.

  8. A novel 2D and 3D method for automated insulin granule measurement and its application in assessing accepted preparation methods for electron microscopy

    NASA Astrophysics Data System (ADS)

    Mantell, J.; Nam, D.; Bull, D.; Achim, A.; Verkade, P.

    2014-06-01

    Transmission electron microscopy images of insulin-producing beta cells in the islets of Langerhans contain many complex structures, making it difficult to accurately segment insulin granules. Furthermore the appearance of the granules and surrounding halo and limiting membrane can vary enormously depending on the methods used for sample preparation. An automated method has been developed using active contours to segment the insulin core initially and then expand to segment the halos [1]. The method has been validated against manual measurements and also yields higher accuracy than other automated methods [2]. It has then been extended to three dimensions to analyse a tomographic reconstruction from a thick section of the same material. The final step has been to produce a GUI and use the automated process to compare a number of different electron microscopy preparation protocols including chemical fixation (where many of halos are often distended) and to explore the many subtleties of high pressure freezing (where the halos are often minimal, [3]).

  9. Determination of the neutron electric formfactor in quasielastic collisions of polarized electrons with 3He and 2D. Collaboration A3 at MAMI

    NASA Astrophysics Data System (ADS)

    Andresen, H. G.; Annand, J. R. M.; Aulenbacher, K.; Becker, J.; Blume-Werry, J.; Dombo, Th.; Drescher, P.; Ducret, J. E.; Eyl, D.; Fischer, H.; Frey, A.; Grabmayr, P.; Hall, S.; Hartmann, P.; Hehl, T.; Heil, W.; Hoffmann, J.; Kellie, J. D.; Klein, F.; Leduc, M.; Meierhoff, M.; Möller, H.; Nachtigall, Ch.; Ostrick, M.; Otten, E. W.; Owens, R. O.; Plützer, S.; Reichert, E.; Rohe, D.; Schäfer, M.; Schearer, L. D.; Schmieden, H.; Steffens, K.; Surkau, R.; Walcher, Th.

    1995-07-01

    The determination of the neutron electric formfactor from quasielastic reactions 3H↘e(e↘,e'n) and D(e↘,e',n↘) respectively is one of the present goals of experiments with polarized electrons at the Mainz race track microtron MAMI. A GaAsP-photoelectron source is used at MAMI to get an 855 MeV electron beam spinpolarized to a degree of 35% at a current of 10 μA. Polarized 3He-nuclei are produced by optical pumping metastable 3He. Scattered electrons are detected in coincidence with the recoil neutrons, the transverse spinpolarization of the neutrons may be analyzed by neutron-proton scattering in a double wall plastic scintillator detector. A subset of the final detector set-up has been tested successfully now by investigating the polarization transfer to the proton in reactions H(e↘,e'p↘) and D(e↘,e'p↘) and to the neutron in D(e↘,e'n↘) at a 4-momentum transfer with -Q2=8fm-2. First data from the exclusive quasielastic collision 3H↘e(e↘,e'n) indicate a value of the neutron electric formfactor of GnE=0.035±0.015 at -Q2=8fm-2.

  10. Interlayer couplings, Moiré patterns, and 2D electronic superlattices in MoS2/WSe2 hetero-bilayers

    PubMed Central

    Zhang, Chendong; Chuu, Chih-Piao; Ren, Xibiao; Li, Ming-Yang; Li, Lain-Jong; Jin, Chuanhong; Chou, Mei-Yin; Shih, Chih-Kang

    2017-01-01

    By using direct growth, we create a rotationally aligned MoS2/WSe2 hetero-bilayer as a designer van der Waals heterostructure. With rotational alignment, the lattice mismatch leads to a periodic variation of atomic registry between individual van der Waals layers, exhibiting a Moiré pattern with a well-defined periodicity. By combining scanning tunneling microscopy/spectroscopy, transmission electron microscopy, and first-principles calculations, we investigate interlayer coupling as a function of atomic registry. We quantitatively determine the influence of interlayer coupling on the electronic structure of the hetero-bilayer at different critical points. We show that the direct gap semiconductor concept is retained in the bilayer although the valence and conduction band edges are located at different layers. We further show that the local bandgap is periodically modulated in the X-Y direction with an amplitude of ~0.15 eV, leading to the formation of a two-dimensional electronic superlattice. PMID:28070558

  11. Electron density profiles from ionograms - Underlying ionization corrections and their comparison with rocket results

    NASA Technical Reports Server (NTRS)

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

    1975-01-01

    Electron density profiles from nine daytime rocket flights at Wallops Island, Va., conducted at high and low levels of solar activity are compared with profiles calculated by inversion of ionograms obtained at the same times and location. Sources of error and uncertainty in the ionogram inversion are discussed, as are means for their amelioration. In most cases, agreement between the two kinds of measurement within a few percent in electron density and within a few percent of a scale height can be achieved.

  12. Electronic, bonding, and optical properties of 1d [CuCN]n (n = 1-10) chains, 2d [CuCN]n (n = 2-10) nanorings, and 3d [Cun (CN)n ]m (n = 4, m = 2, 3; n = 10, m = 2) tubes studied by DFT/TD-DFT methods.

    PubMed

    Tsipis, Athanassios C; Stalikas, Alexandros V

    2015-06-30

    The electronic, bonding, and photophysical properties of one-dimensional [CuCN](n) (n = 1-10) chains, 2-D [CuCN](n) (n = 2-10) nanorings, and 3-D [Cu(n)(CN)(n)](m) (n = 4, m = 2, 3; n = 10, m = 2) tubes are investigated by means of a multitude of computational methodologies using density functional theory (DFT) and time-dependent-density-functional theory (TD-DFT) methods. The calculations revealed that the 2-D [CuCN](n) (n = 2-10) nanorings are more stable than the respective 1-D [CuCN](n) (n = 2-10) linear chains. The 2-D [CuCN](n) (n = 2-10) nanorings are predicted to form 3-D [Cun (CN)(n)](m) (n = 4, m = 2, 3; n = 10, m = 2) tubes supported by weak stacking interactions, which are clearly visualized as broad regions in real space by the 3D plots of the reduced density gradient. The bonding mechanism in the 1-D [CuCN](n) (n = 1-10) chains, 2-D [CuCN](n) (n = 2-10) nanorings, and 3-D [Cu(n)(CN)(n)](m) (n = 4, m = 2, 3; n = 10, m = 2) tubes are easily recognized by a multitude of electronic structure calculation approaches. Particular emphasis was given on the photophysical properties (absorption and emission spectra) of the [CuCN](n) chains, nanorings, and tubes which were simulated by TD-DFT calculations. The absorption and emission bands in the simulated TD-DFT absorption and emission spectra have thoroughly been analyzed and assignments of the contributing principal electronic transitions associated to individual excitations have been made.

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

    NASA Astrophysics Data System (ADS)

    Sikora, John P.; Carlson, Benjamin T.; Duggins, Danielle O.; Hammond, Kenneth C.; De Santis, Stefano; Tencate, Alister J.

    2014-08-01

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

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

    PubMed

    Volkmann, Niels

    2002-01-01

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

  15. Electron density analysis of the layered antiferromagnetic compound Cu{sub 2}(OH){sub 3}NO{sub 3}: Relationship with the magnetic interaction mechanism

    SciTech Connect

    Pillet, Sebastien; Souhassou, Mohamed; Lecomte, Claude; Rabu, Pierre; Drillon, Marc; Massobrio, Carlo

    2006-03-15

    The electronic properties of the antiferromagnetic layer compound copper hydroxonitrate [Cu{sub 2}(OH){sub 3}NO{sub 3}] are investigated by high-resolution single-crystal x-ray diffraction at 114 K. A pseudoatomic multipolar model is used to reconstruct the experimental electron density (ED) distribution, whose quantitative analysis is performed through the quantum theory of atoms in molecules. The topological properties of the ED indicate indirect Cu{center_dot}{center_dot}{center_dot}Cu bonds mediated by the hydroxo and nitrate ions among the two-dimensional (2D) copper lattice. A mean charge transfer of 0.4 electrons from the copper atoms to the hydroxo groups and of 0.76 electrons to the nitrate ion is determined via numerical integration of the ED over the atomic basins. Low but nonetheless significant Cu-O partial covalent bonds do also exist. Interplane interaction pathways are furthermore localized and characterized.

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

    SciTech Connect

    Nishimoto, Yoshio

    2015-09-07

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

  17. Accurate electron densities from the Hiller-Sucher-Feinberg identity applied to constrained wavefunctions

    NASA Astrophysics Data System (ADS)

    Challacombe, Matt; Cioslowski, Jerzy

    When applied to electronic wavefunctions calculated with Gaussian-type basis functions, the Hiller-Sucher-Feinberg (HSF) identity improves the accuracy of the electron density at non-hydrogen nuclei by more than an order of magnitude, yielding approximate electron-nuclear cusps. However, the HSF electron densities at hydrogen nuclei bound to heavy atoms are greatly overestimated. This phenomenon is associated with the asymptotic behaviour of the HSF density, which incorrectly decreases to a constant when the sum of Hellmann-Feynman forces acting on nuclei is finite. A method for constraining variational wavefunctions to yield vanishing Hellmann-Feynman forces is described. Hartree-Fock calculations of the constrained HSF (CHSF) electron densities with the 6-31G, 6-31G**, and 6-311++G** basis sets are reported at the nuclei of various diatomic molecules, and are compared with their corresponding conventional, HSF, and Hartree-Fock limit values. These calculations show that differences between HSF and CHSF densities are minor at nonhydrogen nuclei. Importantly, the calculated HF/6-311++G** CHSF densities are on average three times more accurate than the conventional densities at hydrogen nuclei.

  18. Generalization of the Kohn-Sham system that can represent arbitrary one-electron density matrices

    NASA Astrophysics Data System (ADS)

    van Dam, Hubertus J. J.

    2016-05-01

    Density functional theory is currently the most widely applied method in electronic structure theory. The Kohn-Sham method, based on a fictitious system of noninteracting particles, is the workhorse of the theory. The particular form of the Kohn-Sham wave function admits only idempotent one-electron density matrices whereas wave functions of correlated electrons in post-Hartree-Fock methods invariably have fractional occupation numbers. Here we show that by generalizing the orbital concept and introducing a suitable dot product as well as a probability density, a noninteracting system can be chosen that can represent the one-electron density matrix of any system, even one with fractional occupation numbers. This fictitious system ensures that the exact electron density is accessible within density functional theory. It can also serve as the basis for reduced density matrix functional theory. Moreover, to aid the analysis of the results the orbitals may be assigned energies from a mean-field Hamiltonian. This produces energy levels that are akin to Hartree-Fock orbital energies such that conventional analyses based on Koopmans' theorem are available. Finally, this system is convenient in formalisms that depend on creation and annihilation operators as they are trivially applied to single-determinant wave functions.

  19. Generalization of the Kohn-Sham system that can represent arbitrary one-electron density matrices

    SciTech Connect

    Hubertus J. J. van Dam

    2016-04-27

    Density functional theory is currently the most widely applied method in electronic structure theory. The Kohn-Sham method, based on a fictitious system of noninteracting particles, is the workhorse of the theory. The particular form of the Kohn-Sham wave function admits only idempotent one-electron density matrices whereas wave functions of correlated electrons in post-Hartree-Fock methods invariably have fractional occupation numbers. Here we show that by generalizing the orbital concept and introducing a suitable dot product as well as a probability density, a noninteracting system can be chosen that can represent the one-electron density matrix of any system, even one with fractional occupation numbers. This fictitious system ensures that the exact electron density is accessible within density functional theory. It can also serve as the basis for reduced density matrix functional theory. Moreover, to aid the analysis of the results the orbitals may be assigned energies from a mean-field Hamiltonian. This produces energy levels that are akin to Hartree-Fock orbital energies such that conventional analyses based on Koopmans' theorem are available. Lastly, this system is convenient in formalisms that depend on creation and annihilation operators as they are trivially applied to single-determinant wave functions.

  20. Generalization of the Kohn-Sham system that can represent arbitrary one-electron density matrices

    DOE PAGES

    Hubertus J. J. van Dam

    2016-04-27

    Density functional theory is currently the most widely applied method in electronic structure theory. The Kohn-Sham method, based on a fictitious system of noninteracting particles, is the workhorse of the theory. The particular form of the Kohn-Sham wave function admits only idempotent one-electron density matrices whereas wave functions of correlated electrons in post-Hartree-Fock methods invariably have fractional occupation numbers. Here we show that by generalizing the orbital concept and introducing a suitable dot product as well as a probability density, a noninteracting system can be chosen that can represent the one-electron density matrix of any system, even one with fractionalmore » occupation numbers. This fictitious system ensures that the exact electron density is accessible within density functional theory. It can also serve as the basis for reduced density matrix functional theory. Moreover, to aid the analysis of the results the orbitals may be assigned energies from a mean-field Hamiltonian. This produces energy levels that are akin to Hartree-Fock orbital energies such that conventional analyses based on Koopmans' theorem are available. Lastly, this system is convenient in formalisms that depend on creation and annihilation operators as they are trivially applied to single-determinant wave functions.« less

  1. The COSMOS-[O II] survey: evolution of electron density with star formation rate

    NASA Astrophysics Data System (ADS)

    Kaasinen, Melanie; Bian, Fuyan; Groves, Brent; Kewley, Lisa J.; Gupta, Anshu

    2017-03-01

    Star-forming galaxies at z > 1 exhibit significantly different properties to local galaxies of equivalent stellar mass. Not only are high-redshift star-forming galaxies characterized by higher star formation rates and gas fractions than their local counterparts, they also appear to host star-forming regions with significantly different physical conditions, including greater electron densities. To understand what physical mechanisms are responsible for the observed evolution of the star-forming conditions, we have assembled the largest sample of star-forming galaxies at z ∼ 1.5 with emission-line measurements of the {[O II]}λ λ 3726,3729 doublet. By comparing our z ∼ 1.5 sample to local galaxy samples with equivalent distributions of stellar mass, star formation rate and specific star formation rate we investigate the proposed evolution in electron density and its dependence on global properties. We measure an average electron density of 114_{-27}^{+28} cm^{-3} for our z ∼ 1.5 sample, a factor of 5 greater than the typical electron density of local star-forming galaxies. However, we find no offset between the typical electron densities of local and high-redshift galaxies with equivalent star formation rates. Our work indicates that the average electron density of a sample is highly sensitive to the star formation rates, implying that the previously observed evolution is mainly the result of selection effects.

  2. The first in situ electron temperature and density measurements of the Martian nightside ionosphere

    NASA Astrophysics Data System (ADS)

    Fowler, C. M.; Andersson, L.; Ergun, R. E.; Morooka, M.; Delory, G.; Andrews, D. J.; Lillis, Robert J.; McEnulty, T.; Weber, T. D.; Chamandy, T. M.; Eriksson, A. I.; Mitchell, D. L.; Mazelle, C.; Jakosky, B. M.

    2015-11-01

    The first in situ nightside electron density and temperature profiles at Mars are presented as functions of altitude and local time (LT) from the Langmuir Probe and Waves (LPW) instrument on board the Mars Atmosphere and Volatile EvolutioN (MAVEN) mission spacecraft. LPW is able to measure densities as low as ˜100 cm-3, a factor of up to 10 or greater improvement over previous measurements. Above 200 km, near-vertical density profiles of a few hundred cubic centimeters were observed for almost all nightside LT, with the lowest densities and highest temperatures observed postmidnight. Density peaks of a few thousand cubic centimeters were observed below 200 km at all nightside LT. The lowest temperatures were observed below 180 km and approach the neutral atmospheric temperature. One-dimensional modeling demonstrates that precipitating electrons were able to sustain the observed nightside ionospheric densities below 200 km.

  3. Automated Determination of Electron Density from Electric Field Measurements on the Van Allen Probes Spacecraft

    NASA Astrophysics Data System (ADS)

    Zhelavskaya, I. S.; Spasojevic, M.; Shprits, Y.

    2015-12-01

    In this study we present an algorithm for automatic inference of the electron number density from plasma wave measurement made onboard NASA's Van Allen Probes mission. It accomplishes this by using feedforward neural networks to automatically infer the upper hybrid resonance frequency, 𝑓𝑢h𝑟, from plasma wave measurement, which is then used to determine the electron number density. In previous missions, the plasma resonance bands were manually identified, and there have been few attempts to do robust, routine automated detection (Kurth et al. [JGR, 2014]). We describe the design and implementation of the algorithm, as well as the resulting electron number density distribution. Resulting densities are compared with the densities obtained by Kurth et al. [JGR, 2014] and also to the empirical plasmasphere and trough density model of Sheeley et al. [JGR, 2001]. The analysis of the conditions, under which densities obtained by the proposed method differ significantly from the model of Sheeley et al. [JGR, 2001], is presented. Finally, we discuss the dependence of the electron number density on magnetic activity (Kp) and magnetic local time.

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

    PubMed Central

    Putz, Mihai V.

    2009-01-01

    The density matrix theory, the ancestor of density functional theory, provides the immediate framework for Path Integral (PI) development, allowing the canonical density be extended for the many-electronic systems through the density functional closure relationship. Yet, the use of path integral formalism for electronic density prescription presents several advantages: assures the inner quantum mechanical description of the system by parameterized paths; averages the quantum fluctuations; behaves as the propagator for time-space evolution of quantum information; resembles Schrödinger equation; allows quantum statistical description of the system through partition function computing. In this framework, four levels of path integral formalism were presented: the Feynman quantum mechanical, the semiclassical, the Feynman-Kleinert effective classical, and the Fokker-Planck non-equilibrium ones. In each case the density matrix or/and the canonical density were rigorously defined and presented. The practical specializations for quantum free and harmonic motions, for statistical high and low temperature limits, the smearing justification for the Bohr’s quantum stability postulate with the paradigmatic Hydrogen atomic excursion, along the quantum chemical calculation of semiclassical electronegativity and hardness, of chemical action and Mulliken electronegativity, as well as by the Markovian generalizations of Becke-Edgecombe electronic focalization functions – all advocate for the reliability of assuming PI formalism of quantum mechanics as a versatile one, suited for analytically and/or computationally modeling of a variety of fundamental physical and chemical reactivity concepts characterizing the (density driving) many-electronic systems. PMID:20087467

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

    PubMed

    Putz, Mihai V

    2009-11-10

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

  6. Electrical conductance of DNA molecules with varied density of itinerant pi electrons.

    PubMed

    Gao, Xu-Tuan; Fu, Xue; Mei, Liang-Mo; Xie, Shi-Jie

    2006-06-21

    The electrical transport of DNA is closely related to the density of itinerant pi electrons because of the strong electron-lattice interaction. The resistivities of two typical DNA molecules [poly(dG)-poly(dC) and lambda-DNA] with varied densities of itinerant pi electrons are calculated. It is found that the dependence of the resistivity on the density of itinerant pi electrons is symmetrical about the half-filling state of itinerant pi electrons in poly(dG)-poly(dC). At the half-filling state, the Peierls phase transition takes place and poly(dG)-poly(dC) has a large resistivity. When the density of itinerant pi electrons departs far from the half-filling state, the resistivity of poly(dG)-poly(dC) becomes small. For lambda-DNA, there is no Peierls phase transition due to the aperiodicity of its base pair arrangement. The resistivity of poly(dG)-poly(dC) decreases with increasing length of the molecular chain, but the resistivity of lambda-DNA increases with increasing length. The conducting mechanisms for poly(dG)-poly(dC) and a few lambda-DNA molecules with varied densities of itinerant pi electrons are analyzed.

  7. Magnetic and charge structures in itinerant-electron magnets: Coexistence of multiple spin-density and charge-density waves

    NASA Astrophysics Data System (ADS)

    Ohkawa, Fusayoshi J.

    2002-06-01

    A theory of Kondo lattices is applied to studying possible magnetic and charge structures of itinerant-electron antiferromagnets. Even helical spin structures can be stabilized when the nesting of the Fermi surface is not sharp and the superexchange interaction, which arises from the virtual exchange of pair excitations across the Mott-Hubbard gap, is mainly responsible for magnetic instability. Sinusoidal spin structures or spin-density waves (SDW's) are only stabilized when the nesting of the Fermi surface is sharp enough or when an exchange interaction arising from that of pair excitations of quasiparticles is mainly responsible for magnetic instability. In particular, multiple SDW's are stabilized when their incommensurate ordering wave numbers +/-Q are multiple; magnetizations of different +/-Q components are orthogonal to each other in double and triple SDW's when magnetic anisotropy is weak enough. Unless +/-2Q are commensurate, charge-density waves (CDW's) with +/-2Q coexist with SDW's with +/-Q. Because the quenching of magnetic moments by the Kondo effect or local quantum spin fluctuations depends on local numbers of electrons, the phase of CDW's or electron densities is such that magnetic moments are large where the quenching is weak. It is proposed that the so-called stripe order must be the coexisting state of double incommensurate SDW's and CDW's in tetragonal cuprate-oxide high temperature superconductors, in particular, those with the square CuO2 lattices.

  8. A new method for determining the plasma electron density using optical frequency comb interferometer

    SciTech Connect

    Arakawa, Hiroyuki Tojo, Hiroshi; Sasao, Hajime; Kawano, Yasunori; Itami, Kiyoshi

    2014-04-15

    A new method of plasma electron density measurement using interferometric phases (fractional fringes) of an optical frequency comb interferometer is proposed. Using the characteristics of the optical frequency comb laser, high density measurement can be achieved without fringe counting errors. Simulations show that the short wavelength and wide wavelength range of the laser source and low noise in interferometric phases measurements are effective to reduce ambiguity of measured density.

  9. Spin Polarization of 2D Electrons in GaAs Quantum Wells at ν=1/2 from Gallium NMR Measurements

    NASA Astrophysics Data System (ADS)

    Freytag, N.; Horvatić, M.; Berthier, C.; Lévy, L.-P.; Melinte, S.; Bayot, V.; Shayegan, M.

    2000-03-01

    The spin polarization (\\cal P) of a two-dimensional electron gas (2DEG) in two GaAs/AlGaAs multiple-quantum-well heterostructures was probed by measurements of magnetic hyperfine shifts of gallium nuclei located in the quantum wells. The low temperature (50 mK <= T<= 10 K) nuclear magnetic resonance spectra were observed using a standard spin-echo technique(S. Melinte et al.), Phys. Rev. Lett. in press (cond-mat/9908098).. Here we report on the temperature and magnetic field-orientation dependence of \\cal P at Landau level filling factor ν =1/2. Our interpretation of the data relies on the concept of polarization mass (m_p) for composite fermions (CFs) introduced by Park and Jain(K. Park and J.K. Jain, Phys. Rev. Lett. 80), 4237 (1998).. The results in perpendicular magnetic fields (θ = 0) compare well to the simplest model for \\cal P, derived by assuming non-interacting CFs of mass m^*_p, carrying a spin, and with a g-factor the same as electrons. An unexpected behavior is observed when the 2DEG is tilted in the magnetic field; these θ neq 0 data do not agree with predictions by the non-interacting CF model by Park and Jain or the Hamiltonian model by Shankar(R. Shankar, cond-mat/9911288.).

  10. Shubnikov-de Haas measurements of the 2-D electron gas in pseudomorphic In(0.1)Ga(0.9)As grown on GaAs

    NASA Technical Reports Server (NTRS)

    Szydlic, P. P.; Alterovitz, S. A.; Haugland, E. J.; Segall, B.; Henderson, T. S.

    1988-01-01

    Shubnikov-de Hass (SdH) measurements performed on a 200 A layer of pseudomorphic In(0.10)Ga(0.90)As grown by MBE on undoped GaAs with an overlayer of Al(0.15)Ga(0.85)As are presented. These measurements were performed in magnetic fields up to 1.4 tesla at T in the range of 1.4-10 K. It was found that only one subband was populated with a density of 5.8 x 10 to the 11/cm-squared and an effective mass at the Fermi level m(asterisk) = (0.060 + or - 0.001)m(0).

  11. Ground-state degeneracies leave recognizable topological scars in the electronic density.

    PubMed

    Baer, Roi

    2010-02-19

    In Kohn-Sham density functional theory (KS DFT) a fictitious system of noninteracting particles is constructed having the same ground-state (GS) density as the physical system of interest. A fundamental open question in DFT concerns the ability of an exact KS calculation to spot and characterize the GS degeneracies in the physical system. In this Letter we provide theoretical evidence suggesting that the GS density, as a function of position on a 2D manifold of parameters affecting the external potential, is "topologically scarred" in a distinct way by degeneracies. These scars are sufficiently detailed to enable determination of the positions of degeneracies and even the associated Berry phases. We conclude that an exact KS calculation can spot and characterize the degeneracies of the physical system.

  12. X-ray and electron scattering intensities of molecules calculated using density functional theory

    NASA Astrophysics Data System (ADS)

    Smith, Garry T.; Tripathi, Awadh N.; Smith, Vedene H.

    1999-05-01

    The elastic and total intensities for x-ray and high-energy electron scattering from the ten-electron hydride series has been calculated from Kohn-Sham orbitals using the BLYP, B3LYP and LSDA functionals, and compared to the previous Hartree-Fock and singles and doubles configuration interaction (SDCI) results of Wang [J. Wang, A. N. Tripathi, and V. H. Smith, Jr., J. Chem. Phys. 101, 4842 (1994)] in the same basis. In those cases where density functional theory (DFT) provides a significantly better electron density than Hartree-Fock, the pair density and hence total scattering intensity for x-rays is also better reproduced, especially in the low s region. The asymptotic behavior of the scattering curves from the DFT methods is poorer than Hartree-Fock due to the inability of DFT to reliably predict the density at the nucleus, the electron-electron distribution at zero-electron separation, and the second moment of the electron-electron distribution.

  13. Description of correlated densities for few-electron atoms by simple functional forms

    SciTech Connect

    Porras, I.; Arias de Saavedra, F.

    1999-02-20

    Simple analytical functional forms for the electron density of two- and three-electron atoms which reproduce fairly the correlated (exact) values are presented. The procedure is based on the fitting of an auxiliary f(r) function which has adequate properties for this purpose and can be extended to more complex atoms.

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

    PubMed Central

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

    2014-01-01

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

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

    PubMed

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

    2014-11-07

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

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

    NASA Astrophysics Data System (ADS)

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

    2014-11-01

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

  17. Validation of Ionosonde Electron Density Reconstruction Algorithms with IONOLAB-RAY in Central Europe

    NASA Astrophysics Data System (ADS)

    Gok, Gokhan; Mosna, Zbysek; Arikan, Feza; Arikan, Orhan; Erdem, Esra

    2016-07-01

    Ionospheric observation is essentially accomplished by specialized radar systems called ionosondes. The time delay between the transmitted and received signals versus frequency is measured by the ionosondes and the received signals are processed to generate ionogram plots, which show the time delay or reflection height of signals with respect to transmitted frequency. The critical frequencies of ionospheric layers and virtual heights, that provide useful information about ionospheric structurecan be extracted from ionograms . Ionograms also indicate the amount of variability or disturbances in the ionosphere. With special inversion algorithms and tomographical methods, electron density profiles can also be estimated from the ionograms. Although structural pictures of ionosphere in the vertical direction can be observed from ionosonde measurements, some errors may arise due to inaccuracies that arise from signal propagation, modeling, data processing and tomographic reconstruction algorithms. Recently IONOLAB group (www.ionolab.org) developed a new algorithm for effective and accurate extraction of ionospheric parameters and reconstruction of electron density profile from ionograms. The electron density reconstruction algorithm applies advanced optimization techniques to calculate parameters of any existing analytical function which defines electron density with respect to height using ionogram measurement data. The process of reconstructing electron density with respect to height is known as the ionogram scaling or true height analysis. IONOLAB-RAY algorithm is a tool to investigate the propagation path and parameters of HF wave in the ionosphere. The algorithm models the wave propagation using ray representation under geometrical optics approximation. In the algorithm , the structural ionospheric characteristics arerepresented as realistically as possible including anisotropicity, inhomogenity and time dependence in 3-D voxel structure. The algorithm is also used

  18. Seasonal and temporal variability of the equatorial ionosphere with radio occultation electron density profiles from CHAMP

    NASA Astrophysics Data System (ADS)

    Cahoy, K.

    2007-12-01

    This work summarizes a portion of the more than two hundred thousand electron density profiles captured by the Challenging Mini-Satellite Payload for Geophysical Research (CHAMP, GFZ) from 2002-2006. The electron density profiles used in this work were processed by the Cosmic Data Analysis and Archival Center (CDAAC, UCAR) and released in July 2007. This recent release includes data not previously distributed by CDAAC, and nearly doubles the number of electron density profiles available through CDAAC. The local time of the electron density profiles varies throughout the solar day due to the geometry of the experiment (one ~400 km altitude near-polar orbiter with a ~90 minute period receives GPS signals until occulted by Earth). For a majority of the profiles, sampling occurs at two local times each day, separated by 12 hours, such that roughly every 120 days, the sampling local time repeats. The progression of local time with day of year for the CHAMP electron density profiles drives the selection of data subsets used in this multi-year study of electron density. The data are divided into local time windows from 06:00-10:00 (four hours before noon) and 22:00-02:00 (four hours near midnight). For the years 2002-2006, this yields twelve 60-day before-noon data subsets, and thirteen 60-day near-midnight data subsets. Each subset consists of roughly two thousand profiles. For each of these 25 data subsets, the electron density profiles are interpolated onto a global map with latitude and longitude, from 150-400 km altitude. The data are summarized both in terms of bulk trends as well as with focus on zonal structure. For example, the seasonal and interannual variability of the zonal mean equatorial electron density are presented, as well as a wave decomposition of the observed equatorial zonal structure at fixed altitudes, such that the possible effects of non-migrating tides on the ionosphere can be considered. The retrieved electron density profiles are sometimes

  19. A quantum dynamical comparison of the electronic couplings derived from quantum electrodynamics and Förster theory: application to 2D molecular aggregates

    NASA Astrophysics Data System (ADS)

    Frost, James E.; Jones, Garth A.

    2014-11-01

    The objective of this study is to investigate under what circumstances Förster theory of electronic (resonance) energy transfer breaks down in molecular aggregates. This is achieved by simulating the dynamics of exciton diffusion, on the femtosecond timescale, in molecular aggregates using the Liouville-von Neumann equation of motion. Specifically the focus of this work is the investigation of both spatial and temporal deviations between exciton dynamics driven by electronic couplings calculated from Förster theory and those calculated from quantum electrodynamics. The quantum electrodynamics (QED) derived couplings contain medium- and far-zone terms that do not exist in Förster theory. The results of the simulations indicate that Förster coupling is valid when the dipole centres are within a few nanometres of one another. However, as the distance between the dipole centres increases from 2 nm to 10 nm, the intermediate- and far-zone coupling terms play non-negligible roles and Förster theory begins to break down. Interestingly, the simulations illustrate how contributions to the exciton dynamics from the intermediate- and far-zone coupling terms of QED are quickly washed-out by the near-zone mechanism of Förster theory for lattices comprising closely packed molecules. On the other hand, in the case of sparsely packed arrays, the exciton dynamics resulting from the different theories diverge within the 100 fs lifetime of the trajectories. These results could have implications for the application of spectroscopic ruler techniques as well as design principles relating to energy harvesting materials.

  20. Effect of q-nonextensive parameter and saturation time on electron density steepening in electron-positron-ion plasmas

    SciTech Connect

    Hashemzadeh, M.

    2015-11-15

    The effect of q-nonextensive parameter and saturation time on the electron density steepening in electron-positron-ion plasmas is studied by particle in cell method. Phase space diagrams show that the size of the holes, and consequently, the number of trapped particles strongly depends on the q-parameter and saturation time. Furthermore, the mechanism of the instability and exchange of energy between electron-positron and electric field is explained by the profiles of the energy density. Moreover, it is found that the q-parameter, saturation time, and electron and positron velocities affect the nonlinear evolution of the electron density which leads to the steepening of its structure. The q-nonextensive parameter or degree of nonextensivity is the relation between temperature gradient and potential energy of the system. Therefore, the deviation of q-parameter from unity indicates the degree of inhomogeneity of temperature or deviation from equilibrium. Finally, using the kinetic theory, a generalized q-dispersion relation is presented for electron-positron-ion plasma systems. It is found that the simulation results in the linear regime are in good agreement with the growth rate results obtained by the kinetic theory.

  1. Effect of q-nonextensive parameter and saturation time on electron density steepening in electron-positron-ion plasmas

    NASA Astrophysics Data System (ADS)

    Hashemzadeh, M.

    2015-11-01

    The effect of q-nonextensive parameter and saturation time on the electron density steepening in electron-positron-ion plasmas is studied by particle in cell method. Phase space diagrams show that the size of the holes, and consequently, the number of trapped particles strongly depends on the q-parameter and saturation time. Furthermore, the mechanism of the instability and exchange of energy between electron-positron and electric field is explained by the profiles of the energy density. Moreover, it is found that the q-parameter, saturation time, and electron and positron velocities affect the nonlinear evolution of the electron density which leads to the steepening of its structure. The q-nonextensive parameter or degree of nonextensivity is the relation between temperature gradient and potential energy of the system. Therefore, the deviation of q-parameter from unity indicates the degree of inhomogeneity of temperature or deviation from equilibrium. Finally, using the kinetic theory, a generalized q-dispersion relation is presented for electron-positron-ion plasma systems. It is found that the simulation results in the linear regime are in good agreement with the growth rate results obtained by the kinetic theory.

  2. Charge Density Waves in the Electron-Hole Liquid in Coupled Quantum Wells

    NASA Astrophysics Data System (ADS)

    Babichenko, V. S.; Polishchuk, I. Ya.

    2017-02-01

    A many-component electron-hole plasma is considered in coupled quantum wells. The electrons and the holes are localized in the different wells. It is found in our previous works that the electron-hole liquid is the ground state of the system. In this paper it is shown that, as the separation between the wells increases, static charge density waves arise resulting in charge fluctuations which form a honeycomb lattice.

  3. Dispersion relations of electron density fluctuations in a Hall thruster plasma, observed by collective light scattering

    SciTech Connect

    Tsikata, S.; Pisarev, V.; Gresillon, D. M.; Lemoine, N.

    2009-03-15

    Kinetic models and numerical simulations of E-vectorxB-vector plasma discharges predict microfluctuations at the scales of the electron cyclotron drift radius and the ion plasma frequency. With the help of a specially designed collective scattering device, the first experimental observations of small-scale electron density fluctuations inside the plasma volume are obtained, and observed in the expected ranges of spatial and time scales. The anisotropy, dispersion relations, form factor, amplitude, and spatial distribution of these electron density fluctuations are described and compared to theoretical expectations.

  4. Measurements of electron density and energy content in the VX-30 helicon discharge

    NASA Astrophysics Data System (ADS)

    Sciamma, Ella; Chavers, Greg; Chang-Diaz, Franklin

    2005-10-01

    We have observed plasma conditions at several locations in the VASIMR experiment, VX-30, a 20 kW helicon plasma expanding into a nozzle. - A three frequency interferometer (70, 90, 110 GHz) provided electron densities at these locations. - We made absolutely calibrated spectroscopic measurements of He I and He II lines in the UV, visible, and near IR. - A comparison with a collisional radiative model suggested that the actual electron density distribution function was not a Maxwellian, but rather was significantly underpopulated at higher electron energies. - We will present preliminary results comparing our measurements with a spectral model using a non Maxwellian distribution.

  5. Rocket measurements of ion and electron densities in the D-region during sunrise.

    NASA Technical Reports Server (NTRS)

    Pedersen, A.; Kane, J. A.

    1971-01-01

    Results from two rockets launched near sunrise at White Sands, N. Mex., when positive ion and electron densities were measured in the D-region for solar zenith angles of 91 and 79 deg. The measurements cover the height range 80 to 110 km and complement previous vlf observations and rocket measurements of electron density. It is shown that the majority of negative ions in this height range are detached near to after ground sunrise. On the basis of these measurements it is possible to discuss electron affinity of negative ions and ion production functions during twilight.

  6. Electron Temperature and Density Measurements by the Unicity of Particle Confinement Time on the TCABR Tokamak

    SciTech Connect

    Machida, M.; Nascimento, I. C.; Severo, J. H. F.; Sanada, E. K.; Galvao, R. M. O.; Daltrini, A. M.

    2006-12-04

    The electron temperature Te and density ne at inner border side of plasma on TCABR tokamak are determined using the unicity of particle confinement time {tau}p. In this method, the signals from hydrogen Balmer series emissions like H alfa, beta and gama are measured with an absolutely intensity calibrated spectrometer during the discharge and the particle confinement time then is evaluated using these three emissions for large range of electron temperature and density, until the unique value of {tau}p is achieved. The results show that during the current plateau, the values of the edge electron density and temperature in high fill density discharge, present much strong variations compared to the low fill pressure because of larger edge turbulence activity.

  7. The calculation of electron density profiles from topside ionograms: Method and applications

    NASA Technical Reports Server (NTRS)

    Lockwood, G. E. K.

    1972-01-01

    A method for converting topside sounder ionograms into topside electron density profiles is discussed. The lamination method used is modified to take into account the variation of electron density and magnetic field within each lamination. Also included is a change of variable to produce a finite integrand of the integral involved, an iteration scheme that permits convergence on an initially unknown density, a second iteration scheme to overcome the problem of an uncertainty in the electron density at the satellite, and a modification to compensate for the changing satellite altitude over the duration of the sounding. Two applications of the technique are discussed: field-aligned traces for computing field-aligned profiles and computer-aided systems for scaling ionograms.

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

    PubMed

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

    2009-12-10

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

  9. Quantum Electronic Stress: Density-Functional-Theory Formulation and Physical Manifestation

    NASA Astrophysics Data System (ADS)

    Hu, Hao; Liu, Miao; Wang, Z. F.; Zhu, Junyi; Wu, Dangxin; Ding, Hepeng; Liu, Zheng; Liu, Feng

    2012-08-01

    The concept of quantum electronic stress (QES) is introduced and formulated within density functional theory to elucidate extrinsic electronic effects on the stress state of solids and thin films in the absence of lattice strain. A formal expression of QES (σQE) is derived in relation to deformation potential of electronic states (Ξ) and variation of electron density (Δn), σQE=ΞΔn as a quantum analog of classical Hooke’s law. Two distinct QES manifestations are demonstrated quantitatively by density functional theory calculations: (1) in the form of bulk stress induced by charge carriers and (2) in the form of surface stress induced by quantum confinement. Implications of QES in some physical phenomena are discussed to underlie its importance.

  10. Exploring electron pair behaviour in chemical bonds using the extracule density.

    PubMed

    Proud, Adam J; Mackenzie, Dalton E C K; Pearson, Jason K

    2015-08-21

    We explore explicit electron pair behaviour within the chemical bond (and lone pairs) by calculating the probability distribution for the center-of-mass (extracule) of an electron pair described by single localized orbitals. Using Edmiston-Ruedenberg localized orbitals in a series of 61 chemical systems, we demonstrate the utility of the extracule density as an interpretive tool in chemistry. By accessing localized regions of chemical space we simplify the interpretation of the extracule density and afford a quantum mechanical interpretation of "chemically intuitive" features of electronic structure. Specifically, we describe the localized effects on chemical bonds due to changes in electronegativities of bonded neighbours, bond strain, and non-covalent interactions. We show that the extracule density offers unique insight into electronic structure and allows one to readily quantify the effects of changing the chemical environment.

  11. A technique for routinely updating the ITU-R database using radio occultation electron density profiles

    NASA Astrophysics Data System (ADS)

    Brunini, Claudio; Azpilicueta, Francisco; Nava, Bruno

    2013-09-01

    Well credited and widely used ionospheric models, such as the International Reference Ionosphere or NeQuick, describe the variation of the electron density with height by means of a piecewise profile tied to the F2-peak parameters: the electron density,, and the height, . Accurate values of these parameters are crucial for retrieving reliable electron density estimations from those models. When direct measurements of these parameters are not available, the models compute the parameters using the so-called ITU-R database, which was established in the early 1960s. This paper presents a technique aimed at routinely updating the ITU-R database using radio occultation electron density profiles derived from GPS measurements gathered from low Earth orbit satellites. Before being used, these radio occultation profiles are validated by fitting to them an electron density model. A re-weighted Least Squares algorithm is used for down-weighting unreliable measurements (occasionally, entire profiles) and to retrieve and values—together with their error estimates—from the profiles. These values are used to monthly update the database, which consists of two sets of ITU-R-like coefficients that could easily be implemented in the IRI or NeQuick models. The technique was tested with radio occultation electron density profiles that are delivered to the community by the COSMIC/FORMOSAT-3 mission team. Tests were performed for solstices and equinoxes seasons in high and low-solar activity conditions. The global mean error of the resulting maps—estimated by the Least Squares technique—is between and elec/m for the F2-peak electron density (which is equivalent to 7 % of the value of the estimated parameter) and from 2.0 to 5.6 km for the height (2 %).

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

    NASA Astrophysics Data System (ADS)

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

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

  13. Collective electronic excitations in the ultra violet regime in 2-D and 1-D carbon nanostructures achieved by the addition of foreign atoms

    NASA Astrophysics Data System (ADS)

    Bangert, U.; Pierce, W.; Boothroyd, C.; Pan, C.-T.; Gwilliam, R.

    2016-06-01

    Plasmons in the visible/UV energy regime have attracted great attention, especially in nano-materials, with regards to applications in opto-electronics and light harvesting; tailored enhancement of such plasmons is of particular interest for prospects in nano-plasmonics. This work demonstrates that it is possible, by adequate doping, to create excitations in the visible/UV regime in nano-carbon materials, i.e., carbon nanotubes and graphene, with choice of suitable ad-atoms and dopants, which are introduced directly into the lattice by low energy ion implantation or added via deposition by evaporation. Investigations as to whether these excitations are of collective nature, i.e., have plasmonic character, are carried out via DFT calculations and experiment-based extraction of the dielectric function. They give evidence of collective excitation behaviour for a number of the introduced impurity species, including K, Ag, B, N, and Pd. It is furthermore demonstrated that such excitations can be concentrated at nano-features, e.g., along nano-holes in graphene through metal atoms adhering to the edges of these holes.

  14. Collective electronic excitations in the ultra violet regime in 2-D and 1-D carbon nanostructures achieved by the addition of foreign atoms

    PubMed Central

    Bangert, U.; Pierce, W.; Boothroyd, C.; Pan, C.-T.; Gwilliam, R.

    2016-01-01

    Plasmons in the visible/UV energy regime have attracted great attention, especially in nano-materials, with regards to applications in opto-electronics and light harvesting; tailored enhancement of such plasmons is of particular interest for prospects in nano-plasmonics. This work demonstrates that it is possible, by adequate doping, to create excitations in the visible/UV regime in nano-carbon materials, i.e., carbon nanotubes and graphene, with choice of suitable ad-atoms and dopants, which are introduced directly into the lattice by low energy ion implantation or added via deposition by evaporation. Investigations as to whether these excitations are of collective nature, i.e., have plasmonic character, are carried out via DFT calculations and experiment-based extraction of the dielectric function. They give evidence of collective excitation behaviour for a number of the introduced impurity species, including K, Ag, B, N, and Pd. It is furthermore demonstrated that such excitations can be concentrated at nano-features, e.g., along nano-holes in graphene through metal atoms adhering to the edges of these holes. PMID:27271352

  15. Collective electronic excitations in the ultra violet regime in 2-D and 1-D carbon nanostructures achieved by the addition of foreign atoms.

    PubMed

    Bangert, U; Pierce, W; Boothroyd, C; Pan, C-T; Gwilliam, R

    2016-06-07

    Plasmons in the visible/UV energy regime have attracted great attention, especially in nano-materials, with regards to applications in opto-electronics and light harvesting; tailored enhancement of such plasmons is of particular interest for prospects in nano-plasmonics. This work demonstrates that it is possible, by adequate doping, to create excitations in the visible/UV regime in nano-carbon materials, i.e., carbon nanotubes and graphene, with choice of suitable ad-atoms and dopants, which are introduced directly into the lattice by low energy ion implantation or added via deposition by evaporation. Investigations as to whether these excitations are of collective nature, i.e., have plasmonic character, are carried out via DFT calculations and experiment-based extraction of the dielectric function. They give evidence of collective excitation behaviour for a number of the introduced impurity species, including K, Ag, B, N, and Pd. It is furthermore demonstrated that such excitations can be concentrated at nano-features, e.g., along nano-holes in graphene through metal atoms adhering to the edges of these holes.

  16. Ultra-broadband 2D electronic spectroscopy of carotenoid-bacteriochlorophyll interactions in the LH1 complex of a purple bacterium

    SciTech Connect

    Maiuri, Margherita; Réhault, Julien; Polli, Dario; Cerullo, Giulio; Carey, Anne-Marie; Hacking, Kirsty; Cogdell, Richard J.; Garavelli, Marco; Lüer, Larry

    2015-06-07

    We investigate the excitation energy transfer (EET) pathways in the photosynthetic light harvesting 1 (LH1) complex of purple bacterium Rhodospirillum rubrum with ultra-broadband two-dimensional electronic spectroscopy (2DES). We employ a 2DES apparatus in the partially collinear geometry, using a passive birefringent interferometer to generate the phase-locked pump pulse pair. This scheme easily lends itself to two-color operation, by coupling a sub-10 fs visible pulse with a sub-15-fs near-infrared pulse. This unique pulse combination allows us to simultaneously track with extremely high temporal resolution both the dynamics of the photoexcited carotenoid spirilloxanthin (Spx) in the visible range and the EET between the Spx and the B890 bacterio-chlorophyll (BChl), whose Q{sub x} and Q{sub y} transitions peak at 585 and 881 nm, respectively, in the near-infrared. Global analysis of the one-color and two-color 2DES maps unravels different relaxation mechanisms in the LH1 complex: (i) the initial events of the internal conversion process within the Spx, (ii) the parallel EET from the first bright state S{sub 2} of the Spx towards the Q{sub x} state of the B890, and (iii) the internal conversion from Q{sub x} to Q{sub y} within the B890.

  17. Ultra-broadband 2D electronic spectroscopy of carotenoid-bacteriochlorophyll interactions in the LH1 complex of a purple bacterium

    NASA Astrophysics Data System (ADS)

    Maiuri, Margherita; Réhault, Julien; Carey, Anne-Marie; Hacking, Kirsty; Garavelli, Marco; Lüer, Larry; Polli, Dario; Cogdell, Richard J.; Cerullo, Giulio

    2015-06-01

    We investigate the excitation energy transfer (EET) pathways in the photosynthetic light harvesting 1 (LH1) complex of purple bacterium Rhodospirillum rubrum with ultra-broadband two-dimensional electronic spectroscopy (2DES). We employ a 2DES apparatus in the partially collinear geometry, using a passive birefringent interferometer to generate the phase-locked pump pulse pair. This scheme easily lends itself to two-color operation, by coupling a sub-10 fs visible pulse with a sub-15-fs near-infrared pulse. This unique pulse combination allows us to simultaneously track with extremely high temporal resolution both the dynamics of the photoexcited carotenoid spirilloxanthin (Spx) in the visible range and the EET between the Spx and the B890 bacterio-chlorophyll (BChl), whose Qx and Qy transitions peak at 585 and 881 nm, respectively, in the near-infrared. Global analysis of the one-color and two-color 2DES maps unravels different relaxation mechanisms in the LH1 complex: (i) the initial events of the internal conversion process within the Spx, (ii) the parallel EET from the first bright state S2 of the Spx towards the Qx state of the B890, and (iii) the internal conversion from Qx to Qy within the B890.

  18. Attosecond pumping of nonstationary electronic states of LiH: Charge shake-up and electron density distortion

    SciTech Connect

    Remacle, F.; Levine, R. D.

    2011-01-15

    Electronic reorganization during and after excitation by an intense ultrashort pulse is computed for LiH in a many-electron multireference time-dependent approach at a fixed nuclear geometry. The electronic dipole moment is used to probe the temporal response of the charge density. Above a field-strength threshold, there is an extensive Stark shifting and Rabi broadening of levels with corresponding distortion of the charge distribution whose response at strong fields is neither adiabatic nor diabatic. A nonresonant IR pulse is more effective in inducing charge shake-up during the pulse.

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

    NASA Astrophysics Data System (ADS)

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

    2017-03-01

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

  20. Unequal density effect on static structure factor of coupled electron layers

    NASA Astrophysics Data System (ADS)

    Saini, L. K.; Nayak, Mukesh G.

    2014-04-01

    In order to understand the ordered phase, if any, in a real coupled electron layers (CEL), there is a need to take into account the effect of unequal layer density. Such phase is confirmed by a strong peak in a static structure factor. With the aid of quantum/dynamical version of Singwi, Tosi, Land and Sjölander (so-called qSTLS) approximation, we have calculated the intra- and interlayer static structure factors, Sll(q) and S12(q), over a wide range of density parameter rsl and interlayer spacing d. In our present study, the sharp peak in S22(q) has been found at critical density with sufficiently lower interlayer spacing. Further, to find the resultant effect of unequal density on intra- and interlayer static structure factors, we have compared our results with that of the recent CEL system with equal layer density and isolated single electron layer.

  1. Photochemical response of the nighttime mesosphere to electric field heating—Onset of electron density enhancements

    NASA Astrophysics Data System (ADS)

    Kotovsky, D. A.; Moore, R. C.

    2016-05-01

    Onsets of electron density enhancements in the upper nighttime mesosphere produced by electric field heating of electrons are examined using a photochemical model that accounts for 29 dynamic species via a set of 156 reactions. Physical mechanisms are identified which result in electron density enhancements that continuously increase for up to several seconds after electric field heating, establishing the conditions under which early VLF scattering is either "fast" (<20 ms) or slower (>20 ms, including "slow," ≥500 ms). During heating, O- ions are produced by heterolysis, e- + O2 → e- + O- + O+, and dissociative attachment, e-+ O2 → O- + O. Following heating, a significant proportion of O- ions associatively detach with molecular oxygen, O- + O2 → O3 + e-, and atomic oxygen, O- + O → O2 + e-. If enough O- ions are produced during heating such that O- detachment exceeds electron loss (predominantly attachment, e- + O3 → O2- + O, and/or electron-ion recombination), electron densities will continue to increase after heating has ended. Consequently, the total risetime of electron density enhancements produced by electric field heating is controlled by the duration of the electric field heating and (in some cases) the effects of O- detachment following heating.

  2. Comparison of measured electron density rise and calculated neutral beam particle deposition in the TFTR tokamak

    SciTech Connect

    Park, H.; Budny, R.; McCune, D.; Taylor, G.; Zarnstorff, M.C. . Plasma Physics Lab.); Barnes, C.W. )

    1991-12-01

    The initial rate of rise of the central electron density during {approximately}100 keV deuterium neutral beam injection is found to agree well with calculations of the beam deposition rate. The best agreement is with beam deposition calculations using older tabulations of the atomic cross-sections; the effects of using new tabulations or including multi-step ionization processes appear to approximately cancel. The neutral-beam deposition profile is a strong function of both the magnitude and the shape of the target plasma density. Peaked heating profiles can be achieved at high target densities only from peaked target density profiles. 15 refs., 4 figs.

  3. Electron inelastic mean free path theory and density functional theory resolving discrepancies for low-energy electrons in copper.

    PubMed

    Chantler, C T; Bourke, J D

    2014-02-06

    We develop the many-pole dielectric theory of UV plasmon interactions and electron energy losses, and couple our advances with recent developments of Kohn-Sham density functional theory to address observed discrepancies between high-precision measurements and tabulated data for electron inelastic mean free paths (IMFPs). Recent publications have demonstrated that a five standard error difference exists between longstanding theoretical calculations and measurements of electron IMFPs for elemental solids at energies below 120 eV, a critical region for analysis of electron energy loss spectroscopy (EELS), X-ray absorption spectroscopy (XAS), and related technologies. Our implementation of improved optical loss spectra and a physical treatment of second-order excitation lifetimes resolves this problem in copper for the first time for energies in excess of 80 eV and substantially improves agreement for lower energy electrons.

  4. Electron-radiation effects on the ac and dc electrical properties and unpaired electron densities of three aerospace polymers

    NASA Technical Reports Server (NTRS)

    Long, Sheila Ann T.; Long, Edward R., Jr.; Ries, Heidi R.; Harries, Wynford L.

    1986-01-01

    The effects of gigarad-level total absorbed doses from 1-MeV electrons on the post-irradiation alternating-current (ac) and direct-current (dc) electrical properties and the unpaired electron densities have been studied for Kapton, Ultem, and Mylar. The unpaired electron densities (determined from electron paramagnetic resonance spectroscopy) and the dc electrical conductivities of the irradiated materials were monitored as functions of time following the exposures to determine their decay characteristics at room temperature. The elevated-temperature ac electrical dissipations of the Ultem and Mylar were affected by the radiation. The dc conductivity of the Kapton increased by five orders of magnitude, while the dc conductivities of the Ultem and Mylar increased by less than an order of magnitude, due to the radiation. The observed radiation-generated changes in the ac electrical dissipations are explained in terms of known radiation-generated changes in the molecular structures of the three materials. A preliminary model relating the dc electrical conductivity and the unpaired electron density in the Kapton is proposed.

  5. c-Axis projected electron-positron momentum density in YBa{sub 2}Cu{sub 3}O{sub 7}

    SciTech Connect

    Bansil, A.; Mijnarends, P.E.; Smedskjaer, L.C.

    1990-11-01

    The authors present the theoretical c-axis projected electron-positron momentum density N{sub 2{gamma}}(P{sub x},p{sub y}) in YBa{sub 2}Cu{sub 3}O{sub 7} based on the local density approximation (LDA) framework along various lines in momentum space. The calculations use the Korringa-Kohn-Rostoker (KKR) band structure formalism. The anisotropic distribution defined by taking cuts through the calculated spectra along different lines in the (p{sub x},p{sub y}) plane possesses complex structures which arise from both Fermi surface effects and the anisotropy of the smoothly varying underlying background from filled bands; the maximum size of the anisotropy is about 10% of N{sub 2{gamma}}(0,0). The theoretically predicted N{sub 2{gamma}}(p{sub x},{sub y}) distribution is compared with the measured 2D-ACAR spectrum. The considerations suggest that in interpreting the 2D-ACAR data on YBa{sub 2}Cu{sub 3}O{sub 7} in terms of a band theory LDA picture, a substantial, largely isotropic, background should be subtracted from both the 2D-ACAR`s and the associated LCW-folded spectra.

  6. Dust charging and density conditions deduced from observations of PMWE modulated by artificial electron heating

    NASA Astrophysics Data System (ADS)

    Havnes, O.; La Hoz, C.; Rietveld, M. T.; Kassa, M.; Baroni, G.; Biebricher, A.

    2011-12-01

    We present an analysis of relatively strong Polar Mesospheric Winter Echoes (PMWE) under artificial electron heating that changes the PMWE intensity. A major purpose is to find reliable estimates of the relaxation time of the heater modified PMWE to their undisturbed state during the heater switch-off phase; the implications regarding charge/discharge mechanisms; and to exploit the diagnostic potential of artificial electron heating. The relaxation time is between 60 to 70 s for the regions with strong PMWE layers and substantial electron heating. This short relaxation time, related to the variation of charges on the nanometer dust which most likely is present in PMWE, rules out ion attachment as the mechanism to bring the dust charges to their equilibrium state. Neutral winds, sweeping the heated electrons out of the radar beam, are unlikely to be the cause of the observed relaxation, since this requires winds of around 100 m s-1. The most probable cause is photo detachment by which negatively charged dust can lose excess electrons by photon absorption with energies less than the dust material's work function. By comparing the observed heating with heating model profiles, the electron density at 65 km height must have been of the order of 3 × 109 m-3. This agrees with PMWE occurring mainly during disturbed conditions with high electron densities. Our results also indicate that in the strongest PMWE layers, electron bite-outs exist consistent with the role of charged dust particles in the mechanism of PMWE and implying larger dust densities.

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

    NASA Astrophysics Data System (ADS)

    Urbina, Andres S.; Torres, F. Javier; Rincon, Luis

    2016-06-01

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

  8. Early time evolution of negative ion clouds and electron density depletions produced during electron attachment chemical release experiments

    NASA Technical Reports Server (NTRS)

    Scales, W. A.; Bernhardt, P. A.; Ganguli, G.

    1994-01-01

    Two-dimensional electrostatic particle-in-cell simulations are used to study the early time evolution of electron depletions and negative ion clouds produced during electron attachment chemical releases in the ionosphere. The simulation model considers the evolution in the plane perpendicular to the magnetic field and a three-species plasma that contains electrons, positive ions, and also heavy negative ions that result as a by-product of the electron attachment reaction. The early time evolution (less than the negative ion cyclotron period) of the system shows that a negative charge surplus initially develops outside of the depletion boundary as the heavy negative ions move across the boundary. The electrons are initially restricted from moving into the depletion due to the magnetic field. An inhomogenous electric field develops across the boundary layer due to this charge separation. A highly sheared electron flow velocity develops in the depletion boundary due to E x B and Delta-N x B drifts that result from electron density gradients and this inhomogenous electric field. Structure eventually develops in the depletion boundary layer due to low-frequency electrostatic waves that have growth times shorter than the negative ion cyclotron period. It is proposed that these waves are most likely produced by the electron-ion hybrid instability that results from sufficiently large shears in the electron flow velocity.

  9. Laser and Pulsed Power Electron Density Imaging Through Talbot-Lau X-ray Deflectometry

    NASA Astrophysics Data System (ADS)

    Valdivia Leiva, Maria Pia; Stutman, Dan; Stoeckl, Christian; Mileham, Chad; Begischev, Ildar; Theobald, Wolfgang; Bromage, Jake; Regan, Sean; Klein, Salee; Muñoz-Cordovez, Gonzalo; Vescovi, Milenko; Valenzuela-Villaseca, Vicente; Veloso, Felipe

    2016-10-01

    A Talbot-Lau X-ray Deflectometer was deployed using laser driven and x-pinch x-ray backlighters. The Talbot-Lau X-ray Deflectometer is an ideal electron density diagnostic for High Energy Density plasmas with the potential to simultaneously deliver x-ray refraction, attenuation, elemental composition, and scatter information from a single image with source limited resolution. Grating survival and electron density mapping was demonstrated for 10-29 J, 8-30 ps laser pulses using Cu foil targets at the Multi-TeraWatt facility. An areal electron density of 0.050 g/cm2 was obtained at the center of a fluoro-nylon fiber of 300 mm diameter with a source FWHM of 80 µm and resolution of 50 µm. Grating survival and Moiré pattern formation was demonstrated using a Cu x-pinch plasma of FWHM 27 µm, driven by the 350 kA, 350 ns Llampudken pulsed power generator. These results closely match simulations and laboratory results. It was demonstrated that the technique can detect both sharp and smooth density gradients in the range of 2x1023 to 2x1025 cm-3, thus allowing implementation of the electron density technique as a HED plasma diagnostic in both laser and pulsed power experiments U.S. DoE/NNSA and DE-NA0002955.

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

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

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

  11. Developing an ANN electron density profile model over Cyprus based on ionosonde measurements

    NASA Astrophysics Data System (ADS)

    Haralambous, H.; Papadopoulos, Harris; Mostafa, Md. Golam

    2015-06-01

    The impact of the upper atmosphere on navigation, communication as well as surveillance systems is defined by the state of the ionosphere and in particular by variations in its electron density profile along the signal propagation path. The requirement for the accurate specification of the electron density profile stems from the fact that the electron density at each altitude determines the refractive index for radiowaves that are refracted by or penetrate the ionosphere and therefore affects significantly navigation and communication signals. Consequently satellite systems that are based on trans-ionospheric propagation may be affected by complex variations in the ionospheric structure in space and time leading to degradation of the availability, accuracy and reliability of their services. Therefore the specification of the electron density profile over a geographical region is very important within the context of operation of such systems. Although regional models have been developed for such a purpose by interpolating data coming from different instruments using various techniques, for a limited geographical scope, the single station model approach is the preferable option as it best encapsulates the behaviour of the ionosphere over the station. This paper presents the development of an Artificial Neural Network (ANN) model for the electron density profile of the ionosphere over Cyprus based on manually scaled ionograms collected at the Nicosia ionosonde station during the period 2009-2013.

  12. [Research on electron density in DC needle-plate corona discharge at atmospheric pressure].

    PubMed

    Liu, Zhi-Qiang; Guo, Wei; Liu, Tao-Tao; Wu, Wen-Shuo; Liu, Shu-Min

    2013-11-01

    Using needle-plate discharge device, corona discharge experiment was done in the atmosphere. Through photo of spot size of light-emitting area, the relationship between the voltage and thickness of corona layer was discussed. When the distance between tip and plate is fixed, the thickness of corona layer increases with the increase in voltage; when the voltage is fixed, the thickness of corona layer decreases with the increase in the distance between tip and plate. As spectral intensity of N2 (C3pi(u)) (337.1 nm)reflects high energy electron density, it was measured with emission spectrometry. The results show that high energy electron density is the biggest near the needle tip and the relationship between high energy electron density and voltage is basically linear increasing. Fixing voltage, high energy electron density decreases with the increase in the distance between tip and plate. When the voltage and the distance between tip and plate are fixed, the high energy electron density increases with the decrease in the curvature radius of needle tip. These results are of great importance for the study of plasma parameters of corona discharge.

  13. A density-temperature description of the outer electron radiation belt during geomagnetic storms

    SciTech Connect

    Borovsky, Joseph E; Cayton, Thomas E; Denton, Michael H

    2009-01-01

    Electron flux measurements from 7 satellites in geosynchronous orbit from 1990-2007 are fit with relativistic bi-Maxwellians, yielding a number density n and temperature T description of the outer electron radiation belt. For 54.5 spacecraft years of measurements the median value ofn is 3.7x10-4 cm-3 and the median value ofT is 142 keY. General statistical properties of n, T, and the 1.1-1.5 MeV flux J are investigated, including local-time and solar-cycle dependencies. Using superposed-epoch analysis triggered on storm onset, the evolution of the outer electron radiation belt through high-speed-steam-driven storms is investigated. The number density decay during the calm before the storm is seen, relativistic-electron dropouts and recoveries from dropout are investigated, and the heating of the outer electron radiation belt during storms is examined. Using four different triggers (SSCs, southward-IMF CME sheaths, southward-IMF magnetic clouds, and minimum Dst), CME-driven storms are analyzed with superposed-epoch techniques. For CME-driven storms an absence of a density decay prior to storm onset is found, the compression of the outer electron radiation belt at time of SSC is analyzed, the number-density increase and temperature decrease during storm main phase is seen, and the increase in density and temperature during storm recovery phase is observed. Differences are found between the density-temperature and the flux descriptions, with more information for analysis being available in the density-temperature description.

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

    PubMed

    Zalazar, M Fernanda; Peruchena, Nélida M

    2007-08-16

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

  15. Tuning electronic properties of fully hydrogenated AlN nanosheets by external electric field: A van der Waals density functional study

    NASA Astrophysics Data System (ADS)

    Zhang, W. X.; Sun, G. D.; Zhao, L.

    2016-12-01

    In this paper, the structural and electronic properties of two dimensional (2D) fully hydrogenated AlN nanosheets have been investigated by density functional theory computations with van der Waals (vdW) correction. The results demonstrate that there exists strong hydrogen bonding between the nanosheets. Especially, fully hydrogenated AlN monolayer and bilayer nanosheets both have an indirect band gap, irrespective of stacking pattern and thickness. The band gap of fully hydrogenated AlN monolayer and bilayer can be flexibly reduced by applying an external electronic field (E-field), resulting in a semiconductor → metal transition. The results provide many useful insights for the wide applications of AlN nanosheets in electronics and optoelectronics.

  16. Laser Thomson scattering measurements of electron temperature and density in a hall-effect plasma

    NASA Astrophysics Data System (ADS)

    Washeleski, Robert L.

    Hall-effect thrusters (HETs) are compact electric propulsion devices with high specific impulse used for a variety of space propulsion applications. HET technology is well developed but the electron properties in the discharge are not completely understood, mainly due to the difficulty involved in performing accurate measurements in the discharge. Measurements of electron temperature and density have been performed using electrostatic probes, but presence of the probes can significantly disrupt thruster operation, and thus alter the electron temperature and density. While fast-probe studies have expanded understanding of HET discharges, a non-invasive method of measuring the electron temperature and density in the plasma is highly desirable. An alternative to electrostatic probes is a non-perturbing laser diagnostic technique that measures Thomson scattering from the plasma. Thomson scattering is the process by which photons are elastically scattered from the free electrons in a plasma. Since the electrons have thermal energy their motion causes a Doppler shift in the scattered photons that is proportional to their velocity. Like electrostatic probes, laser Thomson scattering (LTS) can be used to determine the temperature and density of free electrons in the plasma. Since Thomson scattering measures the electron velocity distribution function directly no assumptions of the plasma conditions are required, allowing accurate measurements in anisotropic and non-Maxwellian plasmas. LTS requires a complicated measurement apparatus, but has the potential to provide accurate, non-perturbing measurements of electron temperature and density in HET discharges. In order to assess the feasibility of LTS diagnostics on HETs non-invasive measurements of electron temperature and density in the near-field plume of a Hall thruster were performed using a custom built laser Thomson scattering diagnostic. Laser measurements were processed using a maximum likelihood estimation method

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

    NASA Astrophysics Data System (ADS)

    Wu, Jun; Wu, Jian; Xu, Zhengwen

    2016-09-01

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

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

    SciTech Connect

    Byrd, J.; De Santis, S.; Sonnad, K.; Caspers, F.; Kroyer, T.; Krasnykh, A.; Pivi, M.; /SLAC

    2012-04-10

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

  19. Density and localized states' impact on amorphous carbon electron transport mechanisms

    NASA Astrophysics Data System (ADS)

    Caicedo-Dávila, S.; Lopez-Acevedo, O.; Velasco-Medina, J.; Avila, A.

    2016-12-01

    This work discusses the electron transport mechanisms that we obtained as a function of the density of amorphous carbon (a-C) ultra-thin films. We calculated the density of states (total and projected), degree of electronic states' localization, and transmission function using the density functional theory and nonequilibrium Green's functions method. We generated 25 sample a-C structures using ab-initio molecular dynamics within the isothermal-isobaric ensemble. We identified three transport regimes as a function of the density, varying from semimetallic in low-density samples ( ≤2.4 g/cm3) to thermally activated in high-density ( ≥2.9 g/cm3) tetrahedral a-C. The middle-range densities (2.4 g/cm3 ≤ρ≤ 2.9 g/cm3) are characterized by resonant tunneling and hopping transport. Our findings offer a different perspective from the tight-binding model proposed by Katkov and Bhattacharyya [J. Appl. Phys. 113, 183712 (2013)], and agree with experimental observations in low-dimensional carbon systems [see S. Bhattacharyya, Appl. Phys. Lett. 91, 21 (2007)]. Identifying transport regimes is crucial to the process of understanding and applying a-C thin film in electronic devices and electrode coating in biosensors.

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

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

  1. Exact e-e (exchange) correlations of 2-D quantum dots in magnetic field: Size extensive N = 3 , 4 , … , ‧ n ‧ -electron systems via multi-pole expansion

    NASA Astrophysics Data System (ADS)

    Aggarwal, Priyanka; Sharma, Shivalika; Singh, Sunny; Kaur, Harsimran; Hazra, Ram Kuntal

    2017-04-01

    Inclusion of coulomb interaction emerges with the complexity of either convergence of integrals or separation of variables of Schrödinger equations. For an N-electron system, interaction terms grow by N(N-1)/2 factors. Therefore, 2-e system stands as fundamental basic unit for generalized N-e systems. For the first time, we have evaluated e-e correlations in very simple and absolutely terminating finite summed hypergeometric series for 2-D double carrier parabolic quantum dot in both zero and arbitrary non-zero magnetic field (symmetric gauge) and have appraised these integrals in variational methods. The competitive role among confinement strength, magnetic field, mass of the carrier and dielectric constant of the medium on energy level diagram, level-spacing statistics, heat capacities (Cv at 1 K) and magnetization (T ∼ (0-1)K) is studied on systems spanning over wide range of materials (GaAs,Ge,CdS,SiO2 and He, etc). We have also constructed an exact theory for generalized correlated N-e 2-D quantum dots via multi-pole expansion but for the sake of compactness of the article we refrain from data.

  2. Likelihood-based modification of experimental crystal structure electron density maps

    DOEpatents

    Terwilliger, Thomas C.

    2005-04-16

    A maximum-likelihood method for improves an electron density map of an experimental crystal structure. A likelihood of a set of structure factors {F.sub.h } is formed for the experimental crystal structure as (1) the likelihood of having obtained an observed set of structure factors {F.sub.h.sup.OBS } if structure factor set {F.sub.h } was correct, and (2) the likelihood that an electron density map resulting from {F.sub.h } is consistent with selected prior knowledge about the experimental crystal structure. The set of structure factors {F.sub.h } is then adjusted to maximize the likelihood of {F.sub.h } for the experimental crystal structure. An improved electron density map is constructed with the maximized structure factors.

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

    PubMed

    Tokatly, I V

    2013-06-07

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

  4. Propagation of terahertz waves in an atmospheric pressure microplasma with Epstein electron density profile

    SciTech Connect

    Yuan Chengxun; Zhou Zhongxiang; Zhang, Jingwen W.; Sun Hongguo; Wang He; Du Yanwei; Xiang Xiaoli

    2011-03-15

    Propagation properties of terahertz (THz) waves in a bounded atmospheric-pressure microplasma (AMP) are analyzed in this study. A modified Epstein profile model is used to simulate the electron density distribution caused by the plasma sheaths. By introducing the dielectric constant of a Drude-Lorentz model and using the method of dividing the plasma into a series of subslabs with uniform electron density, the coefficients of power reflection, transmission, and absorption are derived for a bounded microplasma structure. The effects of size of microplasma, electron density profile, and collision frequency on the propagation of THz waves are analyzed numerically. The results indicate that the propagation of THz waves in AMPs depend greatly on the above three parameters. It is demonstrated that the THz wave can play an important role in AMPs diagnostics; meanwhile, the AMP can be used as a novel potential tool to control THz wave propagation.

  5. Temporal evolution of electron density and temperature in capillary discharge plasmas

    NASA Astrophysics Data System (ADS)

    Oh, Seong Y.; Uhm, Han S.; Kang, Hoonsoo; Lee, In W.; Suk, Hyyong

    2010-05-01

    Time-resolved spectroscopic measurements of a capillary discharge plasma of helium gas were carried out to obtain detailed information about dynamics of the discharge plasma column, where the fast plasma dynamics is determined by the electron density and temperature. Our measurements show that the electron density of the capillary plasma column increases sharply after gas breakdown and reaches its peak of the order of 1018 cm-3 within less than 100 ns, and then it decreases as time goes by. The result indicates that a peak electron density of 2.3×1018 cm-3 occurs about 65 ns after formation of the discharge current, which is ideal for laser wakefield acceleration experiments reported by Karsch et al. [New J. Phys. 9, 415 (2007)].

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

    SciTech Connect

    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.

  7. Density distribution of high energy electrons in pulsed corona discharge of NO+N2 mixture.

    PubMed

    Wang, Wenchun; Liu, Feng; Zhang, Jialiang; Wang, Younian

    2003-12-01

    Emission spectroscopy of the high-voltage pulsed positive corona discharge in a line-cylinder reactor is used to investigate the high-energy electron density distribution in the discharge gap. The relative overall emission intensity spatial distribution profile of the A2Sigma+ --> X2Pi transition of NO is successfully recorded against a severe electromagnetic pulse interference coming from the corona discharge at one atmosphere. The spectroscopic investigation shows that the high-energy electron density in the discharge has a nonlinearly decline in the radial distribution. When varying the discharge voltage, the absolute emission intensity of NO is different but the radial distribution profile is similar. If an oxygen flow was introduced into the discharge reactor, the emission intensity of NO decreases tremendously and, therefore, the high-energy electron density decreases reasonably.

  8. Electron density in the intermediate heights for low latitude stations: observations and models

    NASA Astrophysics Data System (ADS)

    Mosert, M.; Radicella, S. M.; Adeniyi, J. O.; Ezquer, R. G.; Jadur, C.

    The electron density (NF1) and height (hF1) of the F1 inflection point measured at three low latitude ionosonde stations were compared with the parameters of the N170 point (electron density at 170 km) and with those predicted by the IRI model. The validity of the empirical equation proposed by Radicella and Mosert to predict the height hF1 was checked. Daytime electron density profiles from Ibadan, Ouagadougou and Tucumán covering different seasonal and solar activity conditions were used in the study. The results indicate that the two points are close together most of the time and that the Radicella-Mosert formula descrbies the data better than the current IRI model.

  9. Radial Electron Temperature and Density Measurements Using Thomson Scattering System in GAMMA 10/PDX

    NASA Astrophysics Data System (ADS)

    Yoshikawa, M.; Ohta, K.; Wang, X.; Chikatsu, M.; Kohagura, J.; Shima, Y.; Sakamoto, M.; Imai, T.; Nakashima, Y.; Yasuhara, R.; Yamada, I.; Funaba, H.; Minami, T.

    2015-11-01

    A Thomson scattering (TS) system in GAMMA 10/PDX has been developed for the measurement of radial profiles of electron temperature and density in a single plasma and laser shot. The TS system has a large solid angle optical collection system and high-sensitivity signal detection system. The TS signals are obtained using four-channel high-speed digital oscilloscopes controlled by a Windows PC. We designed the acquisition program for six oscilloscopes to obtain 10-Hz TS signals in a single plasma shot, following which the time-dependent electron temperatures and densities can be determined. Moreover, in order to obtain larger TS signal intensity in the edge region, we added a second collection mirror. The radial electron temperatures and densities at six radial positions in GAMMA 10/PDX were successfully obtained.

  10. Estimation of dislocation density from precession electron diffraction data using the Nye tensor.

    PubMed

    Leff, A C; Weinberger, C R; Taheri, M L

    2015-06-01

    The Nye tensor offers a means to estimate the geometrically necessary dislocation density of a crystalline sample based on measurements of the orientation changes within individual crystal grains. In this paper, the Nye tensor theory is applied to precession electron diffraction automated crystallographic orientation mapping (PED-ACOM) data acquired using a transmission electron microscope (TEM). The resulting dislocation density values are mapped in order to visualize the dislocation structures present in a quantitative manner. These density maps are compared with other related methods of approximating local strain dependencies in dislocation-based microstructural transitions from orientation data. The effect of acquisition parameters on density measurements is examined. By decreasing the step size and spot size during data acquisition, an increasing fraction of the dislocation content becomes accessible. Finally, the method described herein is applied to the measurement of dislocation emission during in situ annealing of Cu in TEM in order to demonstrate the utility of the technique for characterizing microstructural dynamics.

  11. Thermal Conductivity and Thermopower near the 2D Metal-Insulator transition, Final Technical Report

    SciTech Connect

    Sarachik, Myriam P.

    2015-02-20

    STUDIES OF STRONGLY-INTERACTING 2D ELECTRON SYSTEMS – There is a great deal of current interest in the properties of systems in which the interaction between electrons (their potential energy) is large compared to their kinetic energy. We have investigated an apparent, unexpected metal-insulator transition inferred from the behavior of the temperature-dependence of the resistivity; moreover, detailed analysis of the behavior of the magnetoresistance suggests that the electrons’ effective mass diverges, supporting this scenario. Whether this is a true phase transition or crossover behavior has been strenuously debated over the past 20 years. Our measurements have now shown that the thermoelectric power of these 2D materials diverges at a finite density, providing clear evidence that this is, in fact, a phase transition to a new low-density phase which may be a precursor or a direct transition to the long sought-after electronic crystal predicted by Eugene Wigner in 1934.

  12. Analysis of line integrated electron density using plasma position data on Korea Superconducting Tokamak Advanced Researcha)

    NASA Astrophysics Data System (ADS)

    Nam, Y. U.; Chung, J.

    2010-10-01

    A 280 GHz single-channel horizontal millimeter-wave interferometer system has been installed for plasma electron density measurements on the Korea Superconducting Tokamak Advanced Research (KSTAR) device. This system has a triangular beam path that does not pass through the plasma axis due to geometrical constraints in the superconducting tokamak. The term line density on KSTAR has a different meaning from the line density of other tokamaks. To estimate the peak density and the mean density from the measured line density, information on the position of the plasma is needed. The information has been calculated from tangentially viewed visible images using the toroidal symmetry of the plasma. Interface definition language routines have been developed for this purpose. The calculated plasma position data correspond well to calculation results from magnetic analysis. With the position data and an estimated plasma profile, the peak density and the mean density have been obtained from the line density. From these results, changes of plasma den