Analytical modeling of electron energy loss spectroscopy of graphene: Ab initio study versus extended hydrodynamic model.

PubMed

Djordjević, Tijana; Radović, Ivan; Despoja, Vito; Lyon, Keenan; Borka, Duško; Mišković, Zoran L

2018-01-01

We present an analytical modeling of the electron energy loss (EEL) spectroscopy data for free-standing graphene obtained by scanning transmission electron microscope. The probability density for energy loss of fast electrons traversing graphene under normal incidence is evaluated using an optical approximation based on the conductivity of graphene given in the local, i.e., frequency-dependent form derived by both a two-dimensional, two-fluid extended hydrodynamic (eHD) model and an ab initio method. We compare the results for the real and imaginary parts of the optical conductivity in graphene obtained by these two methods. The calculated probability density is directly compared with the EEL spectra from three independent experiments and we find very good agreement, especially in the case of the eHD model. Furthermore, we point out that the subtraction of the zero-loss peak from the experimental EEL spectra has a strong influence on the analytical model for the EEL spectroscopy data. Copyright © 2017 Elsevier B.V. All rights reserved.

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

Non-renewal statistics for electron transport in a molecular junction with electron-vibration interaction

NASA Astrophysics Data System (ADS)

Kosov, Daniel S.

2017-09-01

Quantum transport of electrons through a molecule is a series of individual electron tunneling events separated by stochastic waiting time intervals. We study the emergence of temporal correlations between successive waiting times for the electron transport in a vibrating molecular junction. Using the master equation approach, we compute the joint probability distribution for waiting times of two successive tunneling events. We show that the probability distribution is completely reset after each tunneling event if molecular vibrations are thermally equilibrated. If we treat vibrational dynamics exactly without imposing the equilibration constraint, the statistics of electron tunneling events become non-renewal. Non-renewal statistics between two waiting times τ1 and τ2 means that the density matrix of the molecule is not fully renewed after time τ1 and the probability of observing waiting time τ2 for the second electron transfer depends on the previous electron waiting time τ1. The strong electron-vibration coupling is required for the emergence of the non-renewal statistics. We show that in the Franck-Condon blockade regime, extremely rare tunneling events become positively correlated.

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

NASA Astrophysics Data System (ADS)

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

2018-06-01

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

Radiative transition of hydrogen-like ions in quantum plasma

NASA Astrophysics Data System (ADS)

Hu, Hongwei; Chen, Zhanbin; Chen, Wencong

2016-12-01

At fusion plasma electron temperature and number density regimes of 1 × 103-1 × 107 K and 1 × 1028-1 × 1031/m3, respectively, the excited states and radiative transition of hydrogen-like ions in fusion plasmas are studied. The results show that quantum plasma model is more suitable to describe the fusion plasma than the Debye screening model. Relativistic correction to bound-state energies of the low-Z hydrogen-like ions is so small that it can be ignored. The transition probability decreases with plasma density, but the transition probabilities have the same order of magnitude in the same number density regime.

Kinetic energy as functional of the correlation hole

NASA Astrophysics Data System (ADS)

Nalewajski, Roman F.

2003-01-01

Using the marginal decomposition of the many-body probability distribution the electronic kinetic energy is expressed as the functional of the electron density and correlation hole. The analysis covers both the molecule as a whole and its constituent subsystems. The importance of the Fisher information for locality is emphasized.

Electron beam emission from a diamond-amplifier cathode.

PubMed

Chang, Xiangyun; Wu, Qiong; Ben-Zvi, Ilan; Burrill, Andrew; Kewisch, Jorg; Rao, Triveni; Smedley, John; Wang, Erdong; Muller, Erik M; Busby, Richard; Dimitrov, Dimitre

2010-10-15

The diamond amplifier (DA) is a new device for generating high-current, high-brightness electron beams. Our transmission-mode tests show that, with single-crystal, high-purity diamonds, the peak current density is greater than 400  mA/mm², while its average density can be more than 100  mA/mm². The gain of the primary electrons easily exceeds 200, and is independent of their density within the practical range of DA applications. We observed the electron emission. The maximum emission gain measured was 40, and the bunch charge was 50  pC/0.5  mm². There was a 35% probability of the emission of an electron from the hydrogenated surface in our tests. We identified a mechanism of slow charging of the diamond due to thermal ionization of surface states that cancels the applied field within it. We also demonstrated that a hydrogenated diamond is extremely robust.

Exact Time-Dependent Exchange-Correlation Potential in Electron Scattering Processes

NASA Astrophysics Data System (ADS)

Suzuki, Yasumitsu; Lacombe, Lionel; Watanabe, Kazuyuki; Maitra, Neepa T.

2017-12-01

We identify peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory that are crucial for time-resolved electron scattering in a model one-dimensional system. These structures are completely missed by adiabatic approximations that, consequently, significantly underestimate the scattering probability. A recently proposed nonadiabatic approximation is shown to correctly capture the approach of the electron to the target when the initial Kohn-Sham state is chosen judiciously, and it is more accurate than standard adiabatic functionals but ultimately fails to accurately capture reflection. These results may explain the underestimation of scattering probabilities in some recent studies on molecules and surfaces.

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

Kastner, S.O.; Bhatia, A.K.

A generalized method for obtaining individual level population ratios is used to obtain relative intensities of extreme ultraviolet Fe XV emission lines in the range 284 --500 A, which are density dependent for electron densities in the tokamak regime or higher. Four lines in particular are found to attain quite high intensities in the high-density limit. The same calculation provides inelastic contributions to linewidths. The method connects level populations and level widths through total probabilities t/sub i/j, related to ''taboo'' probabilities of Markov chain theory. The t/sub i/j are here evaluated for a real atomic system, being therefore of potentialmore » interest to random-walk theorists who have been limited to idealized systems characterized by simplified transition schemes.« less

On the role of electronic friction for dissociative adsorption and scattering of hydrogen molecules at a Ru(0001) surface.

PubMed

Füchsel, Gernot; Schimka, Selina; Saalfrank, Peter

2013-09-12

The role of electronic friction and, more generally, of nonadiabatic effects during dynamical processes at the gas/metal surface interface is still a matter of discussion. In particular, it is not clear if electronic nonadiabaticity has an effect under "mild" conditions, when molecules in low rovibrational states interact with a metal surface. In this paper, we investigate the role of electronic friction on the dissociative sticking and (inelastic) scattering of vibrationally and rotationally cold H2 molecules at a Ru(0001) surface theoretically. For this purpose, classical molecular dynamics with electronic friction (MDEF) calculations are performed and compared to MD simulations without friction. The two H atoms move on a six-dimensional potential energy surface generated from gradient-corrected density functional theory (DFT), that is, all molecular degrees of freedom are accounted for. Electronic friction is included via atomic friction coefficients obtained from an embedded atom, free electron gas (FEG) model, with embedding densities taken from gradient-corrected DFT. We find that within this model, dissociative sticking probabilities as a function of impact kinetic energies and impact angles are hardly affected by nonadiabatic effects. If one accounts for a possibly enhanced electronic friction near the dissociation barrier, on the other hand, reduced sticking probabilities are observed, in particular, at high impact energies. Further, there is always an influence on inelastic scattering, in particular, as far as the translational and internal energy distribution of the reflected molecules is concerned. Additionally, our results shed light on the role played by the velocity distribution of the incident molecular beam for adsorption probabilities, where, in particular, at higher impact energies, large effects are found.

Rare reaction channels in real-time time-dependent density functional theory: the test case of electron attachment

NASA Astrophysics Data System (ADS)

Lacombe, Lionel; Dinh, P. Huong Mai; Reinhard, Paul-Gerhard; Suraud, Eric; Sanche, Leon

2015-08-01

We present an extension of standard time-dependent density functional theory (TDDFT) to include the evaluation of rare reaction channels, taking as an example of application the theoretical modelling of electron attachment to molecules. The latter process is of great importance in radiation-induced damage of biological tissue for which dissociative electron attachment plays a decisive role. As the attachment probability is very low, it cannot be extracted from the TDDFT propagation whose mean field provides an average over various reaction channels. To extract rare events, we augment TDDFT by a perturbative treatment to account for the occasional jumps, namely electron capture in our test case. We apply the modelling to electron attachment to H2O, H3O+, and (H2O)2. Dynamical calculations have been done at low energy (3-16 eV). We explore, in particular, how core-excited states of the targets show up as resonances in the attachment probability. Contribution to the Topical Issue "COST Action Nano-IBCT: Nano-scale Processes Behind Ion-Beam Cancer Therapy", edited by Andrey Solov'yov, Nigel Mason, Gustavo García, Eugene Surdutovich.

Self-focusing of a high current density ion beam extracted with concave electrodes in a low energy region around 150 eV.

PubMed

Hirano, Y; Kiyama, S; Koguchi, H; Sakakita, H

2014-02-01

Spontaneous self-focusing of ion beam with high current density (Jc ∼ 2 mA/cm(2), Ib ∼ 65 mA) in low energy region (∼150 eV) is observed in a hydrogen ion beam extracted from an ordinary bucket type ion source with three electrodes having concave shape (acceleration, deceleration, and grounded electrodes). The focusing appears abruptly in the beam energy region over ∼135-150 eV, and the Jc jumps up from 0.7 to 2 mA/cm(2). Simultaneously a strong electron flow also appears in the beam region. The electron flow has almost the same current density. Probably these electrons compensate the ion space charge and suppress the beam divergence.

Improving experimental phases for strong reflections prior to density modification

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

Uervirojnangkoorn, Monarin; Hilgenfeld, Rolf; Terwilliger, Thomas C.

Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probability distributions. These distributions are often bimodal, making their weighted average, the centroid phase, improbable, so that electron-density maps computed using centroid phases are often non-interpretable. Density modification brings in information about the characteristics of electron density in protein crystals. In successful cases, this allows a choice between the modes in the phase probability distributions, and the maps can cross the borderline between non-interpretable and interpretable. Based on the suggestions by Vekhter [Vekhter (2005), Acta Cryst. D 61, 899–902], the impact of identifying optimized phases for a small numbermore » of strong reflections prior to the density-modification process was investigated while using the centroid phase as a starting point for the remaining reflections. A genetic algorithm was developed that optimizes the quality of such phases using the skewness of the density map as a target function. Phases optimized in this way are then used in density modification. In most of the tests, the resulting maps were of higher quality than maps generated from the original centroid phases. In one of the test cases, the new method sufficiently improved a marginal set of experimental SAD phases to enable successful map interpretation. Lastly, a computer program, SISA, has been developed to apply this method for phase improvement in macromolecular crystallography.« less

Improving experimental phases for strong reflections prior to density modification

DOE PAGES

Uervirojnangkoorn, Monarin; Hilgenfeld, Rolf; Terwilliger, Thomas C.; ...

2013-09-20

Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probability distributions. These distributions are often bimodal, making their weighted average, the centroid phase, improbable, so that electron-density maps computed using centroid phases are often non-interpretable. Density modification brings in information about the characteristics of electron density in protein crystals. In successful cases, this allows a choice between the modes in the phase probability distributions, and the maps can cross the borderline between non-interpretable and interpretable. Based on the suggestions by Vekhter [Vekhter (2005), Acta Cryst. D 61, 899–902], the impact of identifying optimized phases for a small numbermore » of strong reflections prior to the density-modification process was investigated while using the centroid phase as a starting point for the remaining reflections. A genetic algorithm was developed that optimizes the quality of such phases using the skewness of the density map as a target function. Phases optimized in this way are then used in density modification. In most of the tests, the resulting maps were of higher quality than maps generated from the original centroid phases. In one of the test cases, the new method sufficiently improved a marginal set of experimental SAD phases to enable successful map interpretation. Lastly, a computer program, SISA, has been developed to apply this method for phase improvement in macromolecular crystallography.« less

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

Zhao, Shu-Xia; Zhang, Yu-Ru; Research Group PLASMANT, Department of Chemistry, University of Antwerp, Universiteitsplein 1, B-2610 Antwerp

A hybrid model is used to investigate the fragmentation of C{sub 4}F{sub 8} inductive discharges. Indeed, the resulting reactive species are crucial for the optimization of the Si-based etching process, since they determine the mechanisms of fluorination, polymerization, and sputtering. In this paper, we present the dissociation degree, the density ratio of F vs. C{sub x}F{sub y} (i.e., fluorocarbon (fc) neutrals), the neutral vs. positive ion density ratio, details on the neutral and ion components, and fractions of various fc neutrals (or ions) in the total fc neutral (or ion) density in a C{sub 4}F{sub 8} inductively coupled plasma source,more » as well as the effect of pressure and power on these results. To analyze the fragmentation behavior, the electron density and temperature and electron energy probability function (EEPF) are investigated. Moreover, the main electron-impact generation sources for all considered neutrals and ions are determined from the complicated C{sub 4}F{sub 8} reaction set used in the model. The C{sub 4}F{sub 8} plasma fragmentation is explained, taking into account many factors, such as the EEPF characteristics, the dominance of primary and secondary processes, and the thresholds of dissociation and ionization. The simulation results are compared with experiments from literature, and reasonable agreement is obtained. Some discrepancies are observed, which can probably be attributed to the simplified polymer surface kinetics assumed in the model.« less

Bulk plasma fragmentation in a C4F8 inductively coupled plasma: A hybrid modeling study

NASA Astrophysics Data System (ADS)

Zhao, Shu-Xia; Zhang, Yu-Ru; Gao, Fei; Wang, You-Nian; Bogaerts, Annemie

2015-06-01

A hybrid model is used to investigate the fragmentation of C4F8 inductive discharges. Indeed, the resulting reactive species are crucial for the optimization of the Si-based etching process, since they determine the mechanisms of fluorination, polymerization, and sputtering. In this paper, we present the dissociation degree, the density ratio of F vs. CxFy (i.e., fluorocarbon (fc) neutrals), the neutral vs. positive ion density ratio, details on the neutral and ion components, and fractions of various fc neutrals (or ions) in the total fc neutral (or ion) density in a C4F8 inductively coupled plasma source, as well as the effect of pressure and power on these results. To analyze the fragmentation behavior, the electron density and temperature and electron energy probability function (EEPF) are investigated. Moreover, the main electron-impact generation sources for all considered neutrals and ions are determined from the complicated C4F8 reaction set used in the model. The C4F8 plasma fragmentation is explained, taking into account many factors, such as the EEPF characteristics, the dominance of primary and secondary processes, and the thresholds of dissociation and ionization. The simulation results are compared with experiments from literature, and reasonable agreement is obtained. Some discrepancies are observed, which can probably be attributed to the simplified polymer surface kinetics assumed in the model.

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

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

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 energymore » 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.« less

Gamma-ray generation in the interaction of two tightly focused laser pulses with a low-density target composed of electrons

NASA Astrophysics Data System (ADS)

Jirka, M.; Klimo, O.; Weber, S.; Bulanov, Sergei V.; Esirkepov, Timur Zh.; Korn, G.

2015-05-01

With the continuing development of laser systems, new important and so-far unexplored fields of research related to interaction of ultra-intense laser beams with matter are opening. At intensities of the order of 1022 W=cm2, electrons may be accelerated in the electromagnetic field of the laser wave and achieve such a high energy that they can enter the regime affected by the radiation reaction. Due to the non-linear Thomson and Compton scattering the accelerated electrons emit photons. The interaction of emitted photons with the laser field may result in effective generation of electron-positron pairs by means of the Breit-Wheeler process. In this work we study the influence of laser pulse polarization on gamma-ray generation during interaction of two colliding and tightly focused laser pulses with a low density target composed of electrons. This paper focuses on evolution of electron trajectories and key parameters χe (probability of photon emission) and χγ(probability of pair generation) in the laser field. These interactions are studied using 2D PIC simulations. It is shown that in the case of circularly polarized and tightly focused laser beams, electrons are not following circular trajectories at the magnetic node of the standing wave established in the focus, which leads to lowering the radiation emission efficiency.

Theoretical Study of Electron Transfer Properties of Squaraine Dyes for Dye Sensitized Solar Cell

NASA Astrophysics Data System (ADS)

Juwita, Ratna; Tsai, Hui-Hsu Gavin

2018-01-01

The environmental issues and high cost of Ru create many scientists to explore cheaper and safer sensitizer as alternative for dye sensitized solar cells (DSCs). Dyes play an important role in solar energy conversion efficiency. The squaraine (SQ) dyes has good spectral match with the solar spectra, therefore, SQ dyes have great potential for the applications in DSCs. SQ01_CA is an unsymmetrical SQ dye, reported by Grätzel and colleagues in 2007, featuring a D-π-spacer-A framework and has a carboxylic acid anchoring group. The electron donating ability of indolium in SQ01_CA and SQ01_CAA dyes is relatively weak, better performance may be achieved by introducing an additional donor moiety into indolium [1]. In this study, we investigate six unsymmetrical SQ dyes adsorbed on a (TiO2)38 cluster [2] using density functional theory (DFT) and time-dependent DFT to study electron transfer properties of squaraine dyes on their photophysical. SQ01_CA, WH-SQ01_CA, and WH-SQ02_CA use a carboxylic acid group as its electron acceptor. Furthermore, SQ01_CAA, WH-SQ01_CAA, and WH-SQ02_CAA use a cyanoacrylic acid group as its electron acceptor. WH-SQ01_CA and WH-SQ01_CAA have an alkyl, while WH-SQ02_CA and WH-SQ02_CAA have alkoxyl substituted diarylamines to the indolium donor of sensitizer SQ01_CA. Our calculations show with additional diarylamines in donor tail of WH-SQ02_CAA, the SQ dyes have red-shifted absorption and have slightly larger probability of electron density transferred to TiO2 moiety. Furthermore, an additional -CN group as electron a withdrawing group in the acceptor exhibits red-shifted absorption and enhances the electron density transferred to TiO2 and anchoring moiety after photo-excitation. The tendency of calculated probabilities of electron density being delocalized into TiO2 and driving force for excited-state electron injection of these studied SQ dyes is compatible with their experimentally observed.

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

NASA Astrophysics Data System (ADS)

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

2013-10-01

Two new formulations of N-isopropylacrylamide (NIPAM) based three dimensional (3D) gel dosimeters have recently been developed with improved sensitivity to x-ray CT readout, one without any co-solvent and the other one with isopropanol co-solvent. The water equivalence of the NIPAM gel dosimeters was investigated using different methods to calculate their radiological properties including: density, electron density, number of electrons per grams, effective atomic number, photon interaction probabilities, mass attenuation and energy absorption coefficients, electron collisional, radiative and total mass stopping powers and electron mass scattering power. Monte Carlo modelling was also used to compare the dose response of these gel dosimeters with water for kilovoltage and megavoltage x-ray beams and for megavoltage electron beams. We found that the density and electron density of the co-solvent free gel dosimeter are more water equivalent with less than a 2.6% difference compared to a 5.7% difference for the isopropanol gel dosimeter. Both the co-solvent free and isopropanol solvent gel dosimeters have lower effective atomic numbers than water, differing by 2.2% and 6.5%, respectively. As a result, their photoelectric absorption interaction probabilities are up to 6% and 19% different from water, respectively. Compton scattering and pair production interaction probabilities of NIPAM gel with isopropanol differ by up to 10% from water while for the co-solvent free gel, the differences are 3%. Mass attenuation and energy absorption coefficients of the co-solvent free gel dosimeter and the isopropanol gel dosimeter are up to 7% and 19% lower than water, respectively. Collisional and total mass stopping powers of both gel dosimeters differ by less than 2% from those of water. The dose response of the co-solvent free gel dosimeter is water equivalent (with <1% discrepancy) for dosimetry of x-rays with energies <100 keV while the discrepancy increases (up to 5%) for the isopropanol gel dosimeter over the same energy range. For x-ray beams over the energy range 180 keV-18 MV, both gel dosimeters have less than 2% discrepancy with water. For megavoltage electron beams, the dose differences with water reach 7% and 14% for the co-solvent free gel dosimeter and the isopropanol gel dosimeter, respectively. Our results demonstrate that for x-ray beam dosimetry with photon energies higher than 100 keV and megavoltage electron beams, correction factors are needed for both NIPAM gels to be used as water equivalent dosimeters.

Bragg-cell receiver study

NASA Technical Reports Server (NTRS)

Wilson, Lonnie A.

1987-01-01

Bragg-cell receivers are employed in specialized Electronic Warfare (EW) applications for the measurement of frequency. Bragg-cell receiver characteristics are fully characterized for simple RF emitter signals. This receiver is early in its development cycle when compared to the IFM receiver. Functional mathematical models are derived and presented in this report for the Bragg-cell receiver. Theoretical analysis is presented and digital computer signal processing results are presented for the Bragg-cell receiver. Probability density function analysis are performed for output frequency. Probability density function distributions are observed to depart from assumed distributions for wideband and complex RF signals. This analysis is significant for high resolution and fine grain EW Bragg-cell receiver systems.

The effect of magnetic field on RbCl quantum pseudodot qubit

NASA Astrophysics Data System (ADS)

Xiao, Jing-Lin

2015-07-01

Under the condition of strong electron-LO-phonon coupling in a RbCl quantum pseudodot (QPD) with an applied magnetic field (MF), the eigenenergies and the eigenfunctions of the ground and the first excited states (GFES) are obtained by using a variational method of the Pekar type (VMPT). A single qubit can be realized in this two-level quantum system. The electron’s probability density oscillates in the RbCl QPD with a certain period of T0 = 7.933 fs when the electron is in the superposition state of the GFES. The results indicate that due to the presence of the asymmetrical structure in the z direction of the RbCl QPD, the electron’s probability density shows double-peak configuration, whereas there is only peak if the confinement is a symmetric structure in the x and y directions of the RbCl QPD. The oscillating period is an increasing function of the cyclotron frequency and the polaron radius, whereas it is a decreasing one of the chemical potential of the two-dimensional electron gas and the zero point of the pseudoharmonic potential (PP).

Imaging electron wave functions inside open quantum rings.

PubMed

Martins, F; Hackens, B; Pala, M G; Ouisse, T; Sellier, H; Wallart, X; Bollaert, S; Cappy, A; Chevrier, J; Bayot, V; Huant, S

2007-09-28

Combining scanning gate microscopy (SGM) experiments and simulations, we demonstrate low temperature imaging of the electron probability density |Psi|(2)(x,y) in embedded mesoscopic quantum rings. The tip-induced conductance modulations share the same temperature dependence as the Aharonov-Bohm effect, indicating that they originate from electron wave function interferences. Simulations of both |Psi|(2)(x,y) and SGM conductance maps reproduce the main experimental observations and link fringes in SGM images to |Psi|(2)(x,y).

Silicon quantum dots embedded in a SiO2 matrix: From structural study to carrier transport properties

NASA Astrophysics Data System (ADS)

Garcia-Castello, Nuria; Illera, Sergio; Guerra, Roberto; Prades, Joan Daniel; Ossicini, Stefano; Cirera, Albert

2013-08-01

We study the details of electronic transport related to the atomistic structure of silicon quantum dots embedded in a silicon dioxide matrix using ab initio calculations of the density of states. Several structural and composition features of quantum dots (QDs), such as diameter and amorphization level, are studied and correlated with transport under transfer Hamiltonian formalism. The current is strongly dependent on the QD density of states and on the conduction gap, both dependent on the dot diameter. In particular, as size increases, the available states inside the QD increase, while the QD band gap decreases due to relaxation of quantum confinement. Both effects contribute to increasing the current with the dot size. Besides, valence band offset between the band edges of the QD and the silica, and conduction band offset in a minor grade, increases with the QD diameter up to the theoretical value corresponding to planar heterostructures, thus decreasing the tunneling transmission probability and hence the total current. We discuss the influence of these parameters on electron and hole transport, evidencing a correlation between the electron (hole) barrier value and the electron (hole) current, and obtaining a general enhancement of the electron (hole) transport for larger (smaller) QD. Finally, we show that crystalline and amorphous structures exhibit enhanced probability of hole and electron current, respectively.

A generalized electron energy probability function for inductively coupled plasmas under conditions of nonlocal electron kinetics

NASA Astrophysics Data System (ADS)

Mouchtouris, S.; Kokkoris, G.

2018-01-01

A generalized equation for the electron energy probability function (EEPF) of inductively coupled Ar plasmas is proposed under conditions of nonlocal electron kinetics and diffusive cooling. The proposed equation describes the local EEPF in a discharge and the independent variable is the kinetic energy of electrons. The EEPF consists of a bulk and a depleted tail part and incorporates the effect of the plasma potential, Vp, and pressure. Due to diffusive cooling, the break point of the EEPF is eVp. The pressure alters the shape of the bulk and the slope of the tail part. The parameters of the proposed EEPF are extracted by fitting to measure EEPFs (at one point in the reactor) at different pressures. By coupling the proposed EEPF with a hybrid plasma model, measurements in the gaseous electronics conference reference reactor concerning (a) the electron density and temperature and the plasma potential, either spatially resolved or at different pressure (10-50 mTorr) and power, and (b) the ion current density of the electrode, are well reproduced. The effect of the choice of the EEPF on the results is investigated by a comparison to an EEPF coming from the Boltzmann equation (local electron kinetics approach) and to a Maxwellian EEPF. The accuracy of the results and the fact that the proposed EEPF is predefined renders its use a reliable alternative with a low computational cost compared to stochastic electron kinetic models at low pressure conditions, which can be extended to other gases and/or different electron heating mechanisms.

Electron Trap Energy Distribution in ALD Al2O3, LaAl4Ox, and GdyAl2-yO3 Layers on Silicon

NASA Astrophysics Data System (ADS)

Wang, W. C.; Badylevich, M.; Adelmann, C.; Swerts, J.; Kittl, J. A.; Afanas'ev, V. V.

2012-12-01

The energy distribution of electron trap density in atomic layer deposited Al2O3, LaAl4Ox and GdyAl2-yO3 insulating layers was studied by using the exhaustive photodepopulation spectroscopy. Upon filling the traps by electron tunneling from Si substrate, a broad energy distribution of trap levels in the energy range 2-4 eV is found in all studied insulators with trap densities in the range of 1012 cm-2eV-1. The incorporation of La and Gd cations reduces the trap density in aluminate layers as compared to Al2O3. Crystallization of the insulator by the post-deposition annealing is found to increase the trap density while the energy distribution remains unchanged. The similar trap spectra in the Al2O3 and La or Gd aluminate layers suggest the common nature of the traps, probably originating from imperfections in the AlOx sub-network.

Ligand Electron Density Shape Recognition Using 3D Zernike Descriptors

NASA Astrophysics Data System (ADS)

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

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

Theoretical searches and spectral computations of preferred conformations of various absolute configurations for a cyclodipeptide, cordycedipeptide A from the culture liquid of Cordyceps sinensis

NASA Astrophysics Data System (ADS)

Mang, Chao-Yong; Liu, Cai-Ping; Liu, Guang-Ming; Jiang, Bei; Lan, Hai; Wu, Ke-Chen; Yan, Ya; Li, Hai-Fei; Yang, Ming-Hui; Zhao, Yu

2015-02-01

A cyclic dipeptide often has the multiple configurations and the abundant conformations. The density functional theory (DFT) method is used to search the preferred conformation of the most probable configuration for cordycedipeptide A isolated from the culture liquid of Cordyceps sinensis. The time-dependent DFT approach is exploited to describe the profile of electronic circular dichroism (CD). The calculated results show that the most probable configuration is 3S6R7S, whose preferred conformation has a negative optical rotation and a positive lowest energy electronic CD band.

Classification and assessment of retrieved electron density maps in coherent X-ray diffraction imaging using multivariate analysis.

PubMed

Sekiguchi, Yuki; Oroguchi, Tomotaka; Nakasako, Masayoshi

2016-01-01

Coherent X-ray diffraction imaging (CXDI) is one of the techniques used to visualize structures of non-crystalline particles of micrometer to submicrometer size from materials and biological science. In the structural analysis of CXDI, the electron density map of a sample particle can theoretically be reconstructed from a diffraction pattern by using phase-retrieval (PR) algorithms. However, in practice, the reconstruction is difficult because diffraction patterns are affected by Poisson noise and miss data in small-angle regions due to the beam stop and the saturation of detector pixels. In contrast to X-ray protein crystallography, in which the phases of diffracted waves are experimentally estimated, phase retrieval in CXDI relies entirely on the computational procedure driven by the PR algorithms. Thus, objective criteria and methods to assess the accuracy of retrieved electron density maps are necessary in addition to conventional parameters monitoring the convergence of PR calculations. Here, a data analysis scheme, named ASURA, is proposed which selects the most probable electron density maps from a set of maps retrieved from 1000 different random seeds for a diffraction pattern. Each electron density map composed of J pixels is expressed as a point in a J-dimensional space. Principal component analysis is applied to describe characteristics in the distribution of the maps in the J-dimensional space. When the distribution is characterized by a small number of principal components, the distribution is classified using the k-means clustering method. The classified maps are evaluated by several parameters to assess the quality of the maps. Using the proposed scheme, structure analysis of a diffraction pattern from a non-crystalline particle is conducted in two stages: estimation of the overall shape and determination of the fine structure inside the support shape. In each stage, the most accurate and probable density maps are objectively selected. The validity of the proposed scheme is examined by application to diffraction data that were obtained from an aggregate of metal particles and a biological specimen at the XFEL facility SACLA using custom-made diffraction apparatus.

A protocol for searching the most probable phase-retrieved maps in coherent X-ray diffraction imaging by exploiting the relationship between convergence of the retrieved phase and success of calculation.

PubMed

Sekiguchi, Yuki; Hashimoto, Saki; Kobayashi, Amane; Oroguchi, Tomotaka; Nakasako, Masayoshi

2017-09-01

Coherent X-ray diffraction imaging (CXDI) is a technique for visualizing the structures of non-crystalline particles with size in the submicrometer to micrometer range in material sciences and biology. In the structural analysis of CXDI, the electron density map of a specimen particle projected along the direction of the incident X-rays can be reconstructed only from the diffraction pattern by using phase-retrieval (PR) algorithms. However, in practice, the reconstruction, relying entirely on the computational procedure, sometimes fails because diffraction patterns miss the data in small-angle regions owing to the beam stop and saturation of the detector pixels, and are modified by Poisson noise in X-ray detection. To date, X-ray free-electron lasers have allowed us to collect a large number of diffraction patterns within a short period of time. Therefore, the reconstruction of correct electron density maps is the bottleneck for efficiently conducting structure analyses of non-crystalline particles. To automatically address the correctness of retrieved electron density maps, a data analysis protocol to extract the most probable electron density maps from a set of maps retrieved from 1000 different random seeds for a single diffraction pattern is proposed. Through monitoring the variations of the phase values during PR calculations, the tendency for the PR calculations to succeed when the retrieved phase sets converged on a certain value was found. On the other hand, if the phase set was in persistent variation, the PR calculation tended to fail to yield the correct electron density map. To quantify this tendency, here a figure of merit for the variation of the phase values during PR calculation is introduced. In addition, a PR protocol to evaluate the similarity between a map of the highest figure of merit and other independently reconstructed maps is proposed. The protocol is implemented and practically examined in the structure analyses for diffraction patterns from aggregates of gold colloidal particles. Furthermore, the feasibility of the protocol in the structure analysis of organelles from biological cells is examined.

Improving experimental phases for strong reflections prior to density modification

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

Uervirojnangkoorn, Monarin; University of Lübeck, Ratzeburger Allee 160, 23538 Lübeck; Hilgenfeld, Rolf, E-mail: hilgenfeld@biochem.uni-luebeck.de

A genetic algorithm has been developed to optimize the phases of the strongest reflections in SIR/SAD data. This is shown to facilitate density modification and model building in several test cases. Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probability distributions. These distributions are often bimodal, making their weighted average, the centroid phase, improbable, so that electron-density maps computed using centroid phases are often non-interpretable. Density modification brings in information about the characteristics of electron density in protein crystals. In successful cases, this allows a choice between the modes in the phase probability distributions, and the mapsmore » can cross the borderline between non-interpretable and interpretable. Based on the suggestions by Vekhter [Vekhter (2005 ▶), Acta Cryst. D61, 899–902], the impact of identifying optimized phases for a small number of strong reflections prior to the density-modification process was investigated while using the centroid phase as a starting point for the remaining reflections. A genetic algorithm was developed that optimizes the quality of such phases using the skewness of the density map as a target function. Phases optimized in this way are then used in density modification. In most of the tests, the resulting maps were of higher quality than maps generated from the original centroid phases. In one of the test cases, the new method sufficiently improved a marginal set of experimental SAD phases to enable successful map interpretation. A computer program, SISA, has been developed to apply this method for phase improvement in macromolecular crystallography.« less

Neighbor-Dependent Ramachandran Probability Distributions of Amino Acids Developed from a Hierarchical Dirichlet Process Model

PubMed Central

Mitra, Rajib; Jordan, Michael I.; Dunbrack, Roland L.

2010-01-01

Distributions of the backbone dihedral angles of proteins have been studied for over 40 years. While many statistical analyses have been presented, only a handful of probability densities are publicly available for use in structure validation and structure prediction methods. The available distributions differ in a number of important ways, which determine their usefulness for various purposes. These include: 1) input data size and criteria for structure inclusion (resolution, R-factor, etc.); 2) filtering of suspect conformations and outliers using B-factors or other features; 3) secondary structure of input data (e.g., whether helix and sheet are included; whether beta turns are included); 4) the method used for determining probability densities ranging from simple histograms to modern nonparametric density estimation; and 5) whether they include nearest neighbor effects on the distribution of conformations in different regions of the Ramachandran map. In this work, Ramachandran probability distributions are presented for residues in protein loops from a high-resolution data set with filtering based on calculated electron densities. Distributions for all 20 amino acids (with cis and trans proline treated separately) have been determined, as well as 420 left-neighbor and 420 right-neighbor dependent distributions. The neighbor-independent and neighbor-dependent probability densities have been accurately estimated using Bayesian nonparametric statistical analysis based on the Dirichlet process. In particular, we used hierarchical Dirichlet process priors, which allow sharing of information between densities for a particular residue type and different neighbor residue types. The resulting distributions are tested in a loop modeling benchmark with the program Rosetta, and are shown to improve protein loop conformation prediction significantly. The distributions are available at http://dunbrack.fccc.edu/hdp. PMID:20442867

The Renner effect in triatomic molecules with application to CH+, MgNC and NH2.

PubMed

Jensen, Per; Odaka, Tina Erica; Kraemer, W P; Hirano, Tsuneo; Bunker, P R

2002-03-01

We have developed a computational procedure, based on the variational method, for the calculation of the rovibronic energies of a triatomic molecule in an electronic state that become degenerate at the linear nuclear configuration. In such an electronic state the coupling caused by the electronic orbital angular momentum is very significant and it is called the Renner effect. We include it, and the effect of spin-orbit coupling, in our program. We have developed the procedure to the point where spectral line intensities can be calculated so that absorption and emission spectra can be simulated. In order to gain insight into the nature of the eigenfunctions, we have introduced and calculated the overall bending probability density function f(p) of the states. By projecting the eigenfunctions onto the Born-Oppenheimer basis, we have determined the probability density functions f+(rho) and f-(rho) associated with the individual Born-Oppenheimer states phi(-)elec and phi(+)elec. At a given temperature the Boltzmann averaged value of the f(p) over all the eigenstates gives the bending probability distribution function F(rho), and this can be related to the result of a Coulomb Explosion Imaging (CEI) experiment. We review our work and apply it to the molecules CH2+, MgNC and NH2, all of which are of astrophysical interest.

SEMICONDUCTOR PHYSICS: Properties of the two- and three-dimensional quantum dot qubit

NASA Astrophysics Data System (ADS)

Shihua, Chen

2010-05-01

On the condition of electric-longitudinal-optical (LO) phonon strong coupling in both two- and three-dimensional parabolic quantum dots (QDs), we obtain the eigenenergies of the ground state (GS) and the first excited state (ES), the eigenfunctions of the GS and the first ES by using a variational method of Pekar type. This system in QD may be employed as a quantum system-quantum bit (qubit). When the electron is in the superposition state of the GS and the first ES, we obtain the time evolution of the electron density. The relations of both the electron probability density and the period of oscillation with the electric-LO phonon coupling strength and confinement length are discussed.

Influences of temperature on asymmetric quantum dot qubit in Coulombic impunity potential

NASA Astrophysics Data System (ADS)

Chen, Y.-J.; Song, H.-T.; Xiao, J.-L.

2018-05-01

Using the variational method of the Pekar-type, we study the influences of the temperature on the asymmetric quantum dot (QD) qubit in the Coulombic impunity potential. Then we derive the numerical results and formulate the derivative relationships of the electron probability density and the electron oscillation period in the superposition state of the ground state and the first-excited state with the electron-phonon coupling constant, the Coulombic impurity potential, the transverse and longitudinal confinement strengths at different temperatures, respectively.

Counterion effects on the ultrafast dynamics of charge-transfer-to-solvent electrons.

PubMed

Rivas, N; Moriena, G; Domenianni, L; Hodak, J H; Marceca, E

2017-12-06

We performed femtosecond transient absorption (TA) experiments to monitor the solvation dynamics of charge-transfer-to-solvent (CTTS) electrons originating from UV photoexcitation of ammoniated iodide in close proximity to the counterions. Solutions of KI were prepared in liquid ammonia and TA experiments were carried out at different temperatures and densities, along the liquid-gas coexistence curve of the fluid. The results complement previous femtosecond TA work by P. Vöhringer's group in neat ammonia via multiphoton ionization. The dynamics of CTTS-detached electrons in ammonia was found to be strongly affected by ion pairing. Geminate recombination time constants as well as escape probabilities were determined from the measured temporal profiles and analysed as a function of the medium density. A fast unresolved (τ < 250 fs) increase of absorption related to the creation/thermalization of solvated electron species was followed by two decay components: one with a characteristic time around 10 ps, and a slower one that remains active for hundreds of picoseconds. While the first process is attributed to an early recombination of (I, e - ) pairs, the second decay and its asymptote reflects the effect of the K + counterion on the geminate recombination dynamics, rate and yield. The cation basically acts as an electron anchor that restricts the ejection distance, leading to solvent-separated counterion-electron species. The formation of (K + , NH 3 , e - ) pairs close to the parent iodine atom brings the electron escape probability to very low values. Transient spectra of the electron species have also been estimated as a function of time by probing the temporal profiles at different wavelengths.

Theoretical searches and spectral computations of preferred conformations of various absolute configurations for a cyclodipeptide, cordycedipeptide A from the culture liquid of Cordyceps sinensis.

PubMed

Mang, Chao-Yong; Liu, Cai-Ping; Liu, Guang-Ming; Jiang, Bei; Lan, Hai; Wu, Ke-Chen; Yan, Ya; Li, Hai-Fei; Yang, Ming-Hui; Zhao, Yu

2015-02-05

A cyclic dipeptide often has the multiple configurations and the abundant conformations. The density functional theory (DFT) method is used to search the preferred conformation of the most probable configuration for cordycedipeptide A isolated from the culture liquid of Cordyceps sinensis. The time-dependent DFT approach is exploited to describe the profile of electronic circular dichroism (CD). The calculated results show that the most probable configuration is 3S6R7S, whose preferred conformation has a negative optical rotation and a positive lowest energy electronic CD band. Copyright © 2014 Elsevier B.V. All rights reserved.

Analysis of Electronic Densities and Integrated Doses in Multiform Glioblastomas Stereotactic Radiotherapy

NASA Astrophysics Data System (ADS)

Barón-Aznar, C.; Moreno-Jiménez, S.; Celis, M. A.; Lárraga-Gutiérrez, J. M.; Ballesteros-Zebadúa, P.

2008-08-01

Integrated dose is the total energy delivered in a radiotherapy target. This physical parameter could be a predictor for complications such as brain edema and radionecrosis after stereotactic radiotherapy treatments for brain tumors. Integrated Dose depends on the tissue density and volume. Using CT patients images from the National Institute of Neurology and Neurosurgery and BrainScansoftware, this work presents the mean density of 21 multiform glioblastomas, comparative results for normal tissue and estimated integrated dose for each case. The relationship between integrated dose and the probability of complications is discussed.

Cross Sections for Electron Impact Excitation of Astrophysically Abundant Atoms and Ions

NASA Technical Reports Server (NTRS)

Tayal, S. S.

2006-01-01

Electron collisional excitation rates and transition probabilities are important for computing electron temperatures and densities, ionization equilibria, and for deriving elemental abundances from emission lines formed in the collisional and photoionized astrophysical plasmas. Accurate representation of target wave functions that properly account for the important correlation and relaxation effects and inclusion of coupling effects including coupling to the continuum are essential components of a reliable collision calculation. Non-orthogonal orbitals technique in multiconfiguration Hartree-Fock approach is used to calculate oscillator strengths and transition probabilities. The effect of coupling to the continuum spectrum is included through the use of pseudostates which are chosen to account for most of the dipole polarizabilities of target states. The B-spline basis is used in the R-matrix approach to calculate electron excitation collision strengths and rates. Results for oscillator strengths and electron excitation collision strengths for transitions in N I, O I, O II, O IV, S X and Fe XIV have been produced

Spectroscopy and atomic physics of highly ionized Cr, Fe, and Ni for tokamak plasmas

NASA Technical Reports Server (NTRS)

Feldman, U.; Doschek, G. A.; Cheng, C.-C.; Bhatia, A. K.

1980-01-01

The paper considers the spectroscopy and atomic physics for some highly ionized Cr, Fe, and Ni ions produced in tokamak plasmas. Forbidden and intersystem wavelengths for Cr and Ni ions are extrapolated and interpolated using the known wavelengths for Fe lines identified in solar-flare plasmas. Tables of transition probabilities for the B I, C I, N I, O I, and F I isoelectronic sequences are presented, and collision strengths and transition probabilities for Cr, Fe, and Ni ions of the Be I sequence are given. Similarities of tokamak and solar spectra are discussed, and it is shown how the atomic data presented may be used to determine ion abundances and electron densities in low-density plasmas.

Effect of electric field on RbCl quantum pseudodot qubit

NASA Astrophysics Data System (ADS)

Liang, Zhi-Hui; Xiao, Jing-Lin

2018-04-01

By employing the variational method of Pekar type, we study the effects of electric field on RbCl quantum pseudodot (QPD) qubits. Our results confirm that (1) the electron oscillates in the RbCl QPD with a certain period; (2) the electron's probability density is a raising function of electric field; (3) the oscillating frequency is an increasing one of the electric field and the two-dimensional electron gas chemical potential. Two ways are found for prolonging the lifetime of the qubit and suppressing the decoherence in the quantum information field.

Density and fluence dependence of lithium cell damage and recovery characteristics

NASA Technical Reports Server (NTRS)

Faith, T. J.

1971-01-01

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

Structural and mechanical properties of cardiolipin lipid bilayers determined using neutron spin echo, small angle neutron and X-ray scattering, and molecular dynamics simulations

DOE PAGES

Pan, Jianjun; Cheng, Xiaolin; Sharp, Melissa; ...

2014-10-29

We report that the detailed structural and mechanical properties of a tetraoleoyl cardiolipin (TOCL) bilayer were determined using neutron spin echo (NSE) spectroscopy, small angle neutron and X-ray scattering (SANS and SAXS, respectively), and molecular dynamics (MD) simulations. We used MD simulations to develop a scattering density profile (SDP) model, which was then utilized to jointly refine SANS and SAXS data. In addition to commonly reported lipid bilayer structural parameters, component distributions were obtained, including the volume probability, electron density and neutron scattering length density.

Analysis of Electronic Densities and Integrated Doses in Multiform Glioblastomas Stereotactic Radiotherapy

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

Baron-Aznar, C.; Moreno-Jimenez, S.; Celis, M. A.

2008-08-11

Integrated dose is the total energy delivered in a radiotherapy target. This physical parameter could be a predictor for complications such as brain edema and radionecrosis after stereotactic radiotherapy treatments for brain tumors. Integrated Dose depends on the tissue density and volume. Using CT patients images from the National Institute of Neurology and Neurosurgery and BrainScan(c) software, this work presents the mean density of 21 multiform glioblastomas, comparative results for normal tissue and estimated integrated dose for each case. The relationship between integrated dose and the probability of complications is discussed.

Hybrid Modeling of SiH4/Ar Discharge in a Pulse Modulated RF Capacitively Coupled Plasma

NASA Astrophysics Data System (ADS)

Xi-Feng, Wang; Yuan-Hong, Song; You-Nian, Wang; PSEG Team

2015-09-01

Pulsed plasmas have offered important advantages in future micro-devices, especially for electronegative gas plasmas. In this work, a one-dimensional fluid and Monte-Carlo (MC) hybrid model is developed to simulate SiH4/Ar discharge in a pulse modulated radio-frequency (RF) capacitively coupled plasma (CCP). Time evolution densities of different species, such as electrons, ions, radicals, are calculated, as well as the electron energy probability function (EEPF) which is obtained by a MC simulation. By pulsing the RF source, the electron energy distributions and plasma properties can be modulated by pulse frequency and duty cycle. High electron energy tails are obtained during power-on period, with the SiHx densities increasing rapidly mainly by SiH4 dissociation. As the RF power is off, the densities in the bulk region decrease rapidly owing to high energy electrons disappear, but increase near electrodes since diffusion without the confinement of high electric field, which can prolong the time of radials deposition on the plate. Especially, in the afterglow, the increase of negative ions near the electrodes results from cool electron attachment, which are good for film deposition. This work was supported by the National Natural Science Foundation of China (Grant No. 11275038).

Density functional study for crystalline structures and electronic properties of Si1- x Sn x binary alloys

NASA Astrophysics Data System (ADS)

Nagae, Yuki; Kurosawa, Masashi; Shibayama, Shigehisa; Araidai, Masaaki; Sakashita, Mitsuo; Nakatsuka, Osamu; Shiraishi, Kenji; Zaima, Shigeaki

2016-08-01

We have carried out density functional theory (DFT) calculation for Si1- x Sn x alloy and investigated the effect of the displacement of Si and Sn atoms with strain relaxation on the lattice constant and E- k dispersion. We calculated the formation probabilities for all atomic configurations of Si1- x Sn x according to the Boltzmann distribution. The average lattice constant and E- k dispersion were weighted by the formation probability of each configuration of Si1- x Sn x . We estimated the displacement of Si and Sn atoms from the initial tetrahedral site in the Si1- x Sn x unit cell considering structural relaxation under hydrostatic pressure, and we found that the breaking of the degenerated electronic levels of the valence band edge could be caused by the breaking of the tetrahedral symmetry. We also calculated the E- k dispersion of the Si1- x Sn x alloy by the DFT+U method and found that a Sn content above 50% would be required for the indirect-direct transition.

Survey of the plasma electron environment of Jupiter: A view from Voyager

NASA Technical Reports Server (NTRS)

Scudder, J. D.; Sittler, E. C., Jr.; Bridge, H. S.

1980-01-01

The plasma environment within Jupiter's bow shock is considered in terms of the in situ, calibrated electron plasma measurements made between 10 eV and 5.95 keV by the Voyager plasma science experiment (PLS). Measurements were analyzed and corrected for spacecraft potential variations; the data were reduced to nearly model independent macroscopic parameters of the local electron density and temperature. It is tentatively concluded that the radial temperature profile within the plasma sheet is caused by the intermixing of two different electron populations that probably have different temporal histories and spatial paths to their local observation. The cool plasma source of the plasma sheet and spikes is probably the Io plasma torus and arrives in the plasma sheet as a result of flux tube interchange motions or other generalized transport which can be accomplished without diverting the plasma from the centrifugal equator. The hot suprathermal populations in the plasma sheet have most recently come from the sparse, hot mid-latitude "bath" of electrons which were directly observed juxtaposed to the plasma sheet.

Modelling relativistic effects in momentum-resolved electron energy loss spectroscopy of graphene

NASA Astrophysics Data System (ADS)

Lyon, K.; Mowbray, D. J.; Miskovic, Z. L.

2018-02-01

We present an analytical model for the electron energy loss through a two-dimensional (2D) layer of graphene, fully taking into account relativistic effects. Using two different models for graphene's 2D conductivity, one a two-fluid hydrodynamic model with an added correction to account for the inter-band electron transitions near the Dirac point in undoped graphene, the other derived from ab initio plane-wave time-dependent density functional theory in the frequency domain (PW-TDDFT-ω) calculations applied on a graphene superlattice, we derive various different expressions for the probability density of energy and momentum transfer from the incident electron to graphene. To further compare with electron energy loss spectroscopy (EELS) experiments that use setups like scanning Transmission Electron Microscopy, we integrated our energy loss functions over a range of wavenumbers, and compared how the choice of range directly affects the shape, position, and relative heights of graphene's π → π* and σ → σ* transition peaks. Comparisons were made with experimental EELS data under different model inputs, revealing again the strong effect that the choice of wavenumber range has on the energy loss.

Hole injection and electron overflow improvement in InGaN/GaN light-emitting diodes by a tapered AlGaN electron blocking layer.

PubMed

Lin, Bing-Chen; Chen, Kuo-Ju; Wang, Chao-Hsun; Chiu, Ching-Hsueh; Lan, Yu-Pin; Lin, Chien-Chung; Lee, Po-Tsung; Shih, Min-Hsiung; Kuo, Yen-Kuang; Kuo, Hao-Chung

2014-01-13

A tapered AlGaN electron blocking layer with step-graded aluminum composition is analyzed in nitride-based blue light-emitting diode (LED) numerically and experimentally. The energy band diagrams, electrostatic fields, carrier concentration, electron current density profiles, and hole transmitting probability are investigated. The simulation results demonstrated that such tapered structure can effectively enhance the hole injection efficiency as well as the electron confinement. Consequently, the LED with a tapered EBL grown by metal-organic chemical vapor deposition exhibits reduced efficiency droop behavior of 29% as compared with 44% for original LED, which reflects the improvement in hole injection and electron overflow in our design.

Dielectric response in Bloch’s hydrodynamic model of an electron-ion plasma

NASA Astrophysics Data System (ADS)

Ishikawa, K.; Felderhof, B. U.

The linear response of an electron-ion plasma to an applied oscillating electric field is studied within the framework of Bloch’s classical hydrodynamic model. The ions are assumed to be fixed in space and distributed according to a known probability distribution. The linearized equations of motion for electron density and flow velocity are studied with the aid of a multiple scattering analysis and cluster expansion. This allows systematic reduction of the many-ion problem to a composition of few-ion problems, and shows how the longitudinal dielectric response function can in principle be calculated.

Optimization of an exchange-correlation density functional for water

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

Fritz, Michelle; Fernández-Serra, Marivi; Institute for Advanced Computational Science, Stony Brook University, Stony Brook, New York 11794-3800

2016-06-14

We describe a method, that we call data projection onto parameter space (DPPS), to optimize an energy functional of the electron density, so that it reproduces a dataset of experimental magnitudes. Our scheme, based on Bayes theorem, constrains the optimized functional not to depart unphysically from existing ab initio functionals. The resulting functional maximizes the probability of being the “correct” parameterization of a given functional form, in the sense of Bayes theory. The application of DPPS to water sheds new light on why density functional theory has performed rather poorly for liquid water, on what improvements are needed, and onmore » the intrinsic limitations of the generalized gradient approximation to electron exchange and correlation. Finally, we present tests of our water-optimized functional, that we call vdW-DF-w, showing that it performs very well for a variety of condensed water systems.« less

Empirical models of the electron temperature and density in the nightside venus ionosphere.

PubMed

Brace, L H; Theis, R F; Niemann, H B; Mayr, H G; Hoegy, W R; Nagy, A F

1979-07-06

Empirical models of the electron temperature and electron density of the late afternoon and nightside Venus ionosphere have been derived from Pioneer Venus measurements acquired between 10 December 1978 and 23 March 1979. The models describe the average ionosphere conditions near 18 degrees N latitude between 150 and 700 kilometers altitude for solar zenith angles of 80 degrees to 180 degrees . The average index of solar flux was 200. A major feature of the density model is the factor of 10 decrease beyond 90 degrees followed by a very gradual decrease between 120 degrees and 180 degrees . The density at 150 degrees is about five times greater than observed by Venera 9 and 10 at solar minimum (solar flux approximately 80), a difference that is probably related to the effects of increased solar activity on the processes that maintain the nightside ionosphere. The nightside electron density profile from the model (above 150 kilometers) can be reproduced theoretically either by transport of 0(+) ions from the dayside or by precipitation of low-energy electrons. The ion transport process would require a horizontal flow velocity of about 300 meters per second, a value that is consistent with other Pioneer Venus observations. Although currently available energetic electron data do not yet permit the role of precipitation to be evaluated quantitatively, this process is clearly involved to some extent in the formation of the nightside ionosphere. Perhaps the most surprising feature of the temperature model is that the electron temperature remains high throughout the nightside ionosphere. These high nocturnal temperatures and the existence of a well-defined nightside ionopause suggest that energetic processes occur across the top of the entire nightside ionosphere, maintaining elevated temperatures. A heat flux of 2 x 10(10) electron volts per square centimeter per second, introduced at the ionopause, is consistent with the average electron temperature profile on the nightside at a solar zenith angle of 140 degrees .

Study of the enhancement-mode AlGaN/GaN high electron mobility transistor with split floating gates

NASA Astrophysics Data System (ADS)

Wang, Hui; Wang, Ning; Jiang, Ling-Li; Zhao, Hai-Yue; Lin, Xin-Peng; Yu, Hong-Yu

2017-11-01

In this work, the charge storage based split floating gates (FGs) enhancement mode (E-mode) AlGaN/GaN high electron mobility transistors (HEMTs) are studied. The simulation results reveal that under certain density of two dimensional electron gas, the variation tendency of the threshold voltage (Vth) with the variation of the blocking dielectric thickness depends on the FG charge density. It is found that when the length sum and isolating spacing sum of the FGs both remain unchanged, the Vth shall decrease with the increasing FGs number but maintaining the device as E-mode. It is also reported that for the FGs HEMT, the failure of a FG will lead to the decrease of Vth as well as the increase of drain current, and the failure probability can be improved significantly with the increase of FGs number.

Study of positron annihilation with core electrons at the clean and oxygen covered Ag(001) surface

NASA Astrophysics Data System (ADS)

Joglekar, P.; Shastry, K.; Olenga, A.; Fazleev, N. G.; Weiss, A. H.

2013-03-01

In this paper we present measurements of the energy spectrum of electrons emitted as a result of Positron Annihilation Induce Auger Electron Emission from a clean and oxygen covered Ag (100) surface using a series of incident beam energies ranging from 20 eV down to 2 eV. A peak was observed at ~ 40 eV corresponding to the N23VV Auger transition in agreement with previous PAES studies. Experimental results were investigated theoretically by calculations of positron states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the clean and oxygen covered Ag(100) surface. An ab-initio investigation of stability and associated electronic properties of different adsorption phases of oxygen on Ag(100) has been performed on the basis of density functional theory and using DMOl3 code. The computed positron binding energy, positron surface state wave function, and positron annihilation probabilities of surface trapped positrons with relevant core electrons demonstrate their sensitivity to oxygen coverage, elemental content, atomic structure of the topmost layers of surfaces, and charge transfer effects. Theoretical results are compared with experimental data. This work was supported in part by the National Science Foundation Grant # DMR-0907679.

Scale-invariant puddles in graphene: Geometric properties of electron-hole distribution at the Dirac point.

PubMed

Najafi, M N; Nezhadhaghighi, M Ghasemi

2017-03-01

We characterize the carrier density profile of the ground state of graphene in the presence of particle-particle interaction and random charged impurity in zero gate voltage. We provide detailed analysis on the resulting spatially inhomogeneous electron gas, taking into account the particle-particle interaction and the remote Coulomb disorder on an equal footing within the Thomas-Fermi-Dirac theory. We present some general features of the carrier density probability measure of the graphene sheet. We also show that, when viewed as a random surface, the electron-hole puddles at zero chemical potential show peculiar self-similar statistical properties. Although the disorder potential is chosen to be Gaussian, we show that the charge field is non-Gaussian with unusual Kondev relations, which can be regarded as a new class of two-dimensional random-field surfaces. Using Schramm-Loewner (SLE) evolution, we numerically demonstrate that the ungated graphene has conformal invariance and the random zero-charge density contours are SLE_{κ} with κ=1.8±0.2, consistent with c=-3 conformal field theory.

Effects of carbon dioxide, Nd:YAG and carbon dioxide-Nd:YAG combination lasers at high energy densities on synthetic hydroxyaptite.

PubMed

Meurman, J H; Voegel, J C; Rauhamaa-Mäkinen, R; Gasser, P; Thomann, J M; Hemmerle, J; Luomanen, M; Paunio, I; Frank, R M

1992-01-01

The aim of this study was to determine the crystalline structure and chemical alterations of synthetic hydroxyapatite after irradiation with either CO2, Nd:YAG or CO2-Nd:YAG combination lasers at high energy densities of 500-3,230 J.cm2. Further, dissolution kinetics of the lased material were analysed and compared with those of unlased apatite. Electron microscopy showed that the lased material consisted of two kinds of crystals. From the micrographs their diameters varied from 600 to 1,200 A and from 3,000 to 6,000 A, respectively. The larger crystals showed 6.9-Angström periodic lattice fringes in the transmission electron microscope. alpha-Tricalcium phosphate (TCP) was identified by X-ray diffraction. Selective-area electron diffraction identified the large crystals to consist of tricalcium phosphate while the smaller crystals were probably hydroxyapatite. Assays of dissolution kinetics showed that at these high energy densities lased material dissolved more rapidly than unlased synthetic hydroxyapatite due to the higher solubility of TCP.

Dynamics of photoionization from molecular electronic wavepacket states in intense pulse laser fields: A nonadiabatic electron wavepacket study.

PubMed

Matsuoka, Takahide; Takatsuka, Kazuo

2017-04-07

A theory for dynamics of molecular photoionization from nonadiabatic electron wavepackets driven by intense pulse lasers is proposed. Time evolution of photoelectron distribution is evaluated in terms of out-going electron flux (current of the probability density of electrons) that has kinetic energy high enough to recede from the molecular system. The relevant electron flux is in turn evaluated with the complex-valued electronic wavefunctions that are time evolved in nonadiabatic electron wavepacket dynamics in laser fields. To uniquely rebuild such wavefunctions with its electronic population being lost by ionization, we adopt the complex-valued natural orbitals emerging from the electron density as building blocks of the total wavefunction. The method has been implemented into a quantum chemistry code, which is based on configuration state mixing for polyatomic molecules. Some of the practical aspects needed for its application will be presented. As a first illustrative example, we show the results of hydrogen molecule and its isotope substitutes (HD and DD), which are photoionized by a two-cycle pulse laser. Photon emission spectrum associated with above threshold ionization is also shown. Another example is taken from photoionization dynamics from an excited state of a water molecule. Qualitatively significant effects of nonadiabatic interaction on the photoelectron spectrum are demonstrated.

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

PubMed

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

2015-04-01

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

Annular wave packets at Dirac points in graphene and their probability-density oscillation.

PubMed

Luo, Ji; Valencia, Daniel; Lu, Junqiang

2011-12-14

Wave packets in graphene whose central wave vector is at Dirac points are investigated by numerical calculations. Starting from an initial Gaussian function, these wave packets form into annular peaks that propagate to all directions like ripple-rings on water surface. At the beginning, electronic probability alternates between the central peak and the ripple-rings and transient oscillation occurs at the center. As time increases, the ripple-rings propagate at the fixed Fermi speed, and their widths remain unchanged. The axial symmetry of the energy dispersion leads to the circular symmetry of the wave packets. The fixed speed and widths, however, are attributed to the linearity of the energy dispersion. Interference between states that, respectively, belong to two branches of the energy dispersion leads to multiple ripple-rings and the probability-density oscillation. In a magnetic field, annular wave packets become confined and no longer propagate to infinity. If the initial Gaussian width differs greatly from the magnetic length, expanding and shrinking ripple-rings form and disappear alternatively in a limited spread, and the wave packet resumes the Gaussian form frequently. The probability thus oscillates persistently between the central peak and the ripple-rings. If the initial Gaussian width is close to the magnetic length, the wave packet retains the Gaussian form and its height and width oscillate with a period determined by the first Landau energy. The wave-packet evolution is determined jointly by the initial state and the magnetic field, through the electronic structure of graphene in a magnetic field. © 2011 American Institute of Physics

Multiple mobility edges in a 1D Aubry chain with Hubbard interaction in presence of electric field: Controlled electron transport

NASA Astrophysics Data System (ADS)

Saha, Srilekha; Maiti, Santanu K.; Karmakar, S. N.

2016-09-01

Electronic behavior of a 1D Aubry chain with Hubbard interaction is critically analyzed in presence of electric field. Multiple energy bands are generated as a result of Hubbard correlation and Aubry potential, and, within these bands localized states are developed under the application of electric field. Within a tight-binding framework we compute electronic transmission probability and average density of states using Green's function approach where the interaction parameter is treated under Hartree-Fock mean field scheme. From our analysis we find that selective transmission can be obtained by tuning injecting electron energy, and thus, the present model can be utilized as a controlled switching device.

Monte-Carlo modelling of nano-material photocatalysis: bridging photocatalytic activity and microscopic charge kinetics.

PubMed

Liu, Baoshun

2016-04-28

In photocatalysis, it is known that light intensity, organic concentration, and temperature affect the photocatalytic activity by changing the microscopic kinetics of holes and electrons. However, how the microscopic kinetics of holes and electrons relates to the photocatalytic activity was not well known. In the present research, we developed a Monte-Carlo random walking model that involved all of the charge kinetics, including the photo-generation, the recombination, the transport, and the interfacial transfer of holes and electrons, to simulate the overall photocatalytic reaction, which we called a "computer experiment" of photocatalysis. By using this model, we simulated the effect of light intensity, temperature, and organic surface coverage on the photocatalytic activity and the density of the free electrons that accumulate in the simulated system. It was seen that the increase of light intensity increases the electron density and its mobility, which increases the probability for a hole/electron to find an electron/hole for recombination, and consequently led to an apparent kinetics that the quantum yield (QY) decreases with the increase of light intensity. It was also seen that the increase of organic surface coverage could increase the rate of hole interfacial transfer and result in the decrease of the probability for an electron to recombine with a hole. Moreover, the increase of organic coverage on the nano-material surface can also increase the accumulation of electrons, which enhances the mobility for electrons to undergo interfacial transfer, and finally leads to the increase of photocatalytic activity. The simulation showed that the temperature had a more complicated effect, as it can simultaneously change the activation of electrons, the interfacial transfer of holes, and the interfacial transfer of electrons. It was shown that the interfacial transfer of holes might play a main role at low temperature, with the temperature-dependence of QY conforming to the Arrhenius model. The activation of electrons from the traps to the conduction band might become important at high temperature, which accelerates the electron movement for recombination and leads to a temperature dependence of QY that deviates from the Arrhenius model.

Diagnosing the Fine Structure of Electron Energy Within the ECRIT Ion Source

NASA Astrophysics Data System (ADS)

Jin, Yizhou; Yang, Juan; Tang, Mingjie; Luo, Litao; Feng, Bingbing

2016-07-01

The ion source of the electron cyclotron resonance ion thruster (ECRIT) extracts ions from its ECR plasma to generate thrust, and has the property of low gas consumption (2 sccm, standard-state cubic centimeter per minute) and high durability. Due to the indispensable effects of the primary electron in gas discharge, it is important to experimentally clarify the electron energy structure within the ion source of the ECRIT through analyzing the electron energy distribution function (EEDF) of the plasma inside the thruster. In this article the Langmuir probe diagnosing method was used to diagnose the EEDF, from which the effective electron temperature, plasma density and the electron energy probability function (EEPF) were deduced. The experimental results show that the magnetic field influences the curves of EEDF and EEPF and make the effective plasma parameter nonuniform. The diagnosed electron temperature and density from sample points increased from 4 eV/2×1016 m-3 to 10 eV/4×1016 m-3 with increasing distances from both the axis and the screen grid of the ion source. Electron temperature and density peaking near the wall coincided with the discharge process. However, a double Maxwellian electron distribution was unexpectedly observed at the position near the axis of the ion source and about 30 mm from the screen grid. Besides, the double Maxwellian electron distribution was more likely to emerge at high power and a low gas flow rate. These phenomena were believed to relate to the arrangements of the gas inlets and the magnetic field where the double Maxwellian electron distribution exits. The results of this research may enhance the understanding of the plasma generation process in the ion source of this type and help to improve its performance. supported by National Natural Science Foundation of China (No. 11475137)

Microdosimetric Analysis Confirms Similar Biological Effectiveness of External Exposure to Gamma-Rays and Internal Exposure to 137Cs, 134Cs, and 131I

PubMed Central

Sato, Tatsuhiko; Manabe, Kentaro; Hamada, Nobuyuki

2014-01-01

The risk of internal exposure to 137Cs, 134Cs, and 131I is of great public concern after the accident at the Fukushima-Daiichi nuclear power plant. The relative biological effectiveness (RBE, defined herein as effectiveness of internal exposure relative to the external exposure to γ-rays) is occasionally believed to be much greater than unity due to insufficient discussions on the difference of their microdosimetric profiles. We therefore performed a Monte Carlo particle transport simulation in ideally aligned cell systems to calculate the probability densities of absorbed doses in subcellular and intranuclear scales for internal exposures to electrons emitted from 137Cs, 134Cs, and 131I, as well as the external exposure to 662 keV photons. The RBE due to the inhomogeneous radioactive isotope (RI) distribution in subcellular structures and the high ionization density around the particle trajectories was then derived from the calculated microdosimetric probability density. The RBE for the bystander effect was also estimated from the probability density, considering its non-linear dose response. The RBE due to the high ionization density and that for the bystander effect were very close to 1, because the microdosimetric probability densities were nearly identical between the internal exposures and the external exposure from the 662 keV photons. On the other hand, the RBE due to the RI inhomogeneity largely depended on the intranuclear RI concentration and cell size, but their maximum possible RBE was only 1.04 even under conservative assumptions. Thus, it can be concluded from the microdosimetric viewpoint that the risk from internal exposures to 137Cs, 134Cs, and 131I should be nearly equivalent to that of external exposure to γ-rays at the same absorbed dose level, as suggested in the current recommendations of the International Commission on Radiological Protection. PMID:24919099

Band-to-Band Tunneling-Dominated Thermo-Enhanced Field Electron Emission from p-Si/ZnO Nanoemitters.

PubMed

Huang, Zhizhen; Huang, Yifeng; Xu, Ningsheng; Chen, Jun; She, Juncong; Deng, Shaozhi

2018-06-13

Thermo-enhancement is an effective way to achieve high performance field electron emitters, and enables the individually tuning on the emission current by temperature and the electron energy by voltage. The field emission current from metal or n-doped semiconductor emitter at a relatively lower temperature (i.e., < 1000 K) is less temperature sensitive due to the weak dependence of free electron density on temperature, while that from p-doped semiconductor emitter is restricted by its limited free electron density. Here, we developed full array of uniform individual p-Si/ZnO nanoemitters and demonstrated the strong thermo-enhanced field emission. The mechanism of forming uniform nanoemitters with well Si/ZnO mechanical joint in the nanotemplates was elucidated. No current saturation was observed in the thermo-enhanced field emission measurements. The emission current density showed about ten-time enhancement (from 1.31 to 12.11 mA/cm 2 at 60.6 MV/m) by increasing the temperature from 323 to 623 K. The distinctive performance did not agree with the interband excitation mechanism but well-fit to the band-to-band tunneling model. The strong thermo-enhancement was proposed to be benefit from the increase of band-to-band tunneling probability at the surface portion of the p-Si/ZnO nanojunction. This work provides promising cathode for portable X-ray tubes/panel, ionization vacuum gauges and low energy electron beam lithography, in where electron-dose control at a fixed energy is needed.

Optical study of the free-carrier response of LaTiO3/SrTiO3 superlattices.

PubMed

Seo, S S A; Choi, W S; Lee, H N; Yu, L; Kim, K W; Bernhard, C; Noh, T W

2007-12-31

We used infrared spectroscopic ellipsometry to investigate the electronic properties of LaTiO_{3}/SrTiO_{3} superlattices (SLs). Our results indicated that, independent of the SL periodicity and individual layer thickness, the SLs exhibited a Drude metallic response with sheet carrier density per interface approximately 3x10;{14} cm;{-2}. This is probably due to the leakage of d electrons at interfaces from the Mott insulator LaTiO3 to the band insulator SrTiO3. We observed a carrier relaxation time approximately 35 fs and mobility approximately 35 cm;{2} V-1 s;{-1} at 10 K, and an unusual temperature dependence of carrier density that was attributed to the dielectric screening of quantum paraelectric SrTiO3.

Constructiveness and destructiveness of temperature in asymmetric quantum pseudo dot qubit system

NASA Astrophysics Data System (ADS)

Chen, Ying-Jie; Song, Hai-Tao; Xiao, Jing-Lin

2018-06-01

By using the variational method of the Pekar type, we theoretically study the temperature effects on the asymmetric quantum pseudo dot qubit with a pseudoharmonic potential under an electromagnetic field. The numerical results are analyzed and discussed in detail and show that the relationships of the ground and first excited state energies, the electron oscillation period and the electron probability density in the superposition state of the ground state and the first-excited state with the temperature, the chemical potential, the pseudoharmonic potential, the electric field strength, the cyclotron frequency, the electron phonon coupling constant, the transverse and longitudinal effective confinement length, respectively.

Electron impact excitation of highly charged sodium-like ions

NASA Technical Reports Server (NTRS)

Blaha, M.; Davis, J.

1978-01-01

Optical transition probabilities and electron collision strengths for Ca X, Fe XVI, Zn XX, Kr XXVI and Mo XXXII are calculated for transitions between n equal to 3 and n equal to 4 levels. The calculations neglect relativistic effects on the radial functions. A semi-empirical approach provides wave functions of the excited states; a distorted wave function without exchange is employed to obtain the excitation cross sections. The density dependence of the relative intensities of certain emission lines in the sodium isoelectronic sequence is also discussed.

Solar Wind Turbulence and the Role of Ion Instabilities

NASA Astrophysics Data System (ADS)

Alexandrova, O.; Chen, C. H. K.; Sorriso-Valvo, L.; Horbury, T. S.; Bale, S. D.

Solar wind is probably the best laboratory to study turbulence in astrophysical plasmas. In addition to the presence of magnetic field, the differences with neutral fluid isotropic turbulence are: (i) weakness of collisional dissipation and (ii) presence of several characteristic space and time scales. In this paper we discuss observational properties of solar wind turbulence in a large range from the MHD to the electron scales. At MHD scales, within the inertial range, turbulence cascade of magnetic fluctuations develops mostly in the plane perpendicular to the mean field, with the Kolmogorov scaling k_{perp}^{-5/3} for the perpendicular cascade and k_⊥^{-2} for the parallel one. Solar wind turbulence is compressible in nature: density fluctuations at MHD scales have the Kolmogorov spectrum. Velocity fluctuations do not follow magnetic field ones: their spectrum is a power-law with a -3/2 spectral index. Probability distribution functions of different plasma parameters are not Gaussian, indicating presence of intermittency. At the moment there is no global model taking into account all these observed properties of the inertial range. At ion scales, turbulent spectra have a break, compressibility increases and the density fluctuation spectrum has a local flattening. Around ion scales, magnetic spectra are variable and ion instabilities occur as a function of the local plasma parameters. Between ion and electron scales, a small scale turbulent cascade seems to be established. It is characterized by a well defined power-law spectrum in magnetic and density fluctuations with a spectral index close to -2.8. Approaching electron scales, the fluctuations are no more self-similar: an exponential cut-off is usually observed (for time intervals without quasi-parallel whistlers) indicating an onset of dissipation. The small scale inertial range between ion and electron scales and the electron dissipation range can be together described by ˜ k_{perp}^{-α}exp(-k_{perp}elld), with α≃8/3 and the dissipation scale ℓ d close to the electron Larmor radius ℓ d ≃ρ e . The nature of this small scale cascade and a possible dissipation mechanism are still under debate.

Time-resolved spectroscopy of solid poly/1-vinyl naphthalene/ following electron beam pulse radiolysis - Pulse radiolytic studies on polymers

NASA Technical Reports Server (NTRS)

Coulter, D. R.; Liang, R. H.; Di Stefano, S.; Moacanin, J.; Gupta, A.

1982-01-01

Transient emission studies following pulse radiolysis of solid poly(1-vinyl naphthalene) show existence of excited monomers and two excimers. Quenching experiments indicate that excimers are not formed directly by recombination of ions but probably by trapping of migrating monomeric excitation in preformed traps whose density is approximately one in 1000.

Positron annihilation study of the high- Tc (Bi,Pb) 2Sr 2Ca 2Cu 3O x superconductor

NASA Astrophysics Data System (ADS)

Lim, H. J.; Byrne, J. G.

1997-03-01

Positron lifetime spectroscopy (PLS) and positron Doppler-broadening spectroscopy (PDBS) were applied to the high- Tc lead-doped Bi 2Sr 2Ca 2Cu 3O x (BPSCCO 2223) superconductor as a function of temperature. Neither positron lifetimes nor Doppler parameters ( S, W, and{S}/{W}) showed significant change through Tc. This may result from having the highest positron density in the open BiO 2 double layers and no significant positron density in the superconducting CuO 2 layers where positrons, if mainly present, are known to be sensitive to the transition in other high- Tc superconductors. Doppler parameters showed that the probability of positron annihilations with core electrons in the lattice slightly increased and that the probability of positron annihilations with conduction electrons slightly decreased as temperature decreased from ambient temperature to 20 K. The lifetime associated with positron annihilations in the perfect lattice of the sample ( τ1) was 209 ps and, due to the annihilations at internal surfaces or voids in the sample ( τ2) was about 540 ps, independent of temperature. Finally, the mean lifetime for BSCCO 2223 was about 307 ps.

Development of Simple Designs of Multitip Probe Diagnostic Systems for RF Plasma Characterization

PubMed Central

Naz, M. Y.; Shukrullah, S.; Ghaffar, A.; Rehman, N. U.

2014-01-01

Multitip probes are very useful diagnostics for analyzing and controlling the physical phenomena occurring in low temperature discharge plasmas. However, DC biased probes often fail to perform well in processing plasmas. The objective of the work was to deduce simple designs of DC biased multitip probes for parametric study of radio frequency plasmas. For this purpose, symmetric double probe, asymmetric double probe, and symmetric triple probe diagnostic systems and their driving circuits were designed and tested in an inductively coupled plasma (ICP) generated by a 13.56 MHz radio frequency (RF) source. Using I-V characteristics of these probes, electron temperature, electron number density, and ion saturation current was measured as a function of input power and filling gas pressure. An increasing trend was noticed in electron temperature and electron number density for increasing input RF power whilst a decreasing trend was evident in these parameters when measured against filling gas pressure. In addition, the electron energy probability function (EEPF) was also studied by using an asymmetric double probe. These studies confirmed the non-Maxwellian nature of the EEPF and the presence of two groups of the energetic electrons at low filling gas pressures. PMID:24683326

Surface states and annihilation characteristics of positrons trapped at the oxidized Cu(100) surface

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Weiss, A. H.

2013-06-01

In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. Oxidation of the Cu(100) surface has been studied by performing an ab-initio investigation of the stability and electronic structure of the Cu(100) missing row reconstructed surface at various on-surface and subsurface oxygen coverages ranging from 0.5 to 1.5 monolayers using density functional theory (DFT). All studied structures have been found to be energetically more favorable as compared to structures formed by purely on-surface oxygen adsorption. The observed decrease in the positron work function when oxygen atoms occupy on-surface and subsurface sites has been attributed to a significant charge redistribution within the first two layers, buckling effects within each layer and an interlayer expansion. The computed positron binding energy, positron surface state wave function, and annihilation probabilities of the surface trapped positrons with relevant core electrons demonstrate their sensitivity to oxygen coverage, atomic structure of the topmost layers of surfaces, and charge transfer effects. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES). The results presented provide an explanation for the changes observed in the probability of annihilation of surface trapped positrons with Cu 3p core-level electrons as a function of annealing temperature.

A well-scaling natural orbital theory

DOE PAGES

Gebauer, Ralph; Cohen, Morrel H.; Car, Roberto

2016-11-01

Here, we introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled approximations to the two-particle density matrix that yield algebraic scaling in general, and Hartree–Fock scaling in its seniority-zero version. Results from the latter version for small molecular systems are compared with those of highly accurate quantum-chemical computations. The energies lie above full configuration interaction calculations, close to doubly occupied configuration interaction calculations. Their accuracy is considerably greater than that obtained from current density-functional theory approximations and from current functionals ofmore » the oneparticle density matrix.« less

A well-scaling natural orbital theory

PubMed Central

Gebauer, Ralph; Cohen, Morrel H.; Car, Roberto

2016-01-01

We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled approximations to the two-particle density matrix that yield algebraic scaling in general, and Hartree–Fock scaling in its seniority-zero version. Results from the latter version for small molecular systems are compared with those of highly accurate quantum-chemical computations. The energies lie above full configuration interaction calculations, close to doubly occupied configuration interaction calculations. Their accuracy is considerably greater than that obtained from current density-functional theory approximations and from current functionals of the one-particle density matrix. PMID:27803328

Possible origin of photoconductivity in La0.7Ca0.3MnO3

NASA Astrophysics Data System (ADS)

Sagdeo, P. R.; Choudhary, R. J.; Phase, D. M.

2010-01-01

The effect of photon energy on the density of states near Fermi level of pulsed laser deposited La0.7Ca0.3MnO3 thin film has been studied to investigate the possible origin of change in the conductivity of these manganites upon photon exposure. For this purpose the photoelectron spectroscopy measurements were carried out using CSR beamline (BL-2) on Indus-1 synchrotron radiation source. The valance band spectra were measured at room temperature with photon energy ranging from 40 to 60 eV. We could see huge change in the density of states near Fermi level and this change is observed to be highest at 56 eV which is due to the resonance between Mn 3p to Mn 3d level. Our results suggest that the probability of electron transfer from deep Mn 3p level to Mn 3d-eg level is higher than that of Mn 3d-t2g level. It appears that this transfer of electron from deep Mn level to Mn 3d-eg level not only modifies the density of state near Fermi level but also changes the mobility of electrons by modifying the electron lattice coupling due to presence of Mn+3 Jahn-Teller ion.

Transition properties from the Hermitian formulation of the coupled cluster polarization propagator

NASA Astrophysics Data System (ADS)

Tucholska, Aleksandra M.; Modrzejewski, Marcin; Moszynski, Robert

2014-09-01

Theory of one-electron transition density matrices has been formulated within the time-independent coupled cluster method for the polarization propagator [R. Moszynski, P. S. Żuchowski, and B. Jeziorski, Coll. Czech. Chem. Commun. 70, 1109 (2005)]. Working expressions have been obtained and implemented with the coupled cluster method limited to single, double, and linear triple excitations (CC3). Selected dipole and quadrupole transition probabilities of the alkali earth atoms, computed with the new transition density matrices are compared to the experimental data. Good agreement between theory and experiment is found. The results obtained with the new approach are of the same quality as the results obtained with the linear response coupled cluster theory. The one-electron density matrices for the ground state in the CC3 approximation have also been implemented. The dipole moments for a few representative diatomic molecules have been computed with several variants of the new approach, and the results are discussed to choose the approximation with the best balance between the accuracy and computational efficiency.

Study of the operating parameters of a helicon plasma discharge source using PIC-MCC simulation technique

NASA Astrophysics Data System (ADS)

Jaafarian, Rokhsare; Ganjovi, Alireza; Etaati, Gholamreza

2018-01-01

In this work, a Particle in Cell-Monte Carlo Collision simulation technique is used to study the operating parameters of a typical helicon plasma source. These parameters mainly include the gas pressure, externally applied static magnetic field, the length and radius of the helicon antenna, and the frequency and voltage amplitude of the applied RF power on the helicon antenna. It is shown that, while the strong radial gradient of the formed plasma density in the proximity of the plasma surface is substantially proportional to the energy absorption from the existing Trivelpiece-Gould (TG) modes, the observed high electron temperature in the helicon source at lower static magnetic fields is significant evidence for the energy absorption from the helicon modes. Furthermore, it is found that, at higher gas pressures, both the plasma electron density and temperature are reduced. Besides, it is shown that, at higher static magnetic fields, owing to the enhancement of the energy absorption by the plasma charged species, the plasma electron density is linearly increased. Moreover, it is seen that, at the higher spatial dimensions of the antenna, both the plasma electron density and temperature are reduced. Additionally, while, for the applied frequencies of 13.56 MHz and 27.12 MHz on the helicon antenna, the TG modes appear, for the applied frequency of 18.12 MHz on the helicon antenna, the existence of helicon modes is proved. Moreover, by increasing the applied voltage amplitude on the antenna, the generation of mono-energetic electrons is more probable.

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

Marrakchi, G.; Barbier, D.; Guillot, G.

Electrical and deep level transient spectroscopy measurements on Schottky barriers were performed in order to characterize electrically active defects in n-type GaAs (Bridgman substrates or liquid-phase epitaxial layers) after pulsed electron beam annealing. Both surface damage and bulk defects were observed in the Bridgman substrates depending on the pulse energy density. No electron traps were detected in the liquid-phase epitaxial layers before and after annealing for an energy density of 0.4 J/cm/sup 2/. The existence of an interfacial insulating layer at the metal-semiconductor interface, associated with As out-diffusion during the pulsed electron irradiation, was revealed by the abnormally high valuesmore » of the Schottky barrier diffusion potential. Moreover, two new electron traps with activation energy of 0.35 and 0.43 eV, called EP1 and EP2, were introduced in the Bridgman substrates after pulsed electron beam annealing. The presence of these traps, related to the As evaporation, was tentatively attributed to the decrease of the EL2 electron trap signal after 0.4-J/cm/sup 2/ annealing. It is proposed that these new defects states are due to the decomposition of the As/sub Ga/-As/sub i/ complex recently considered as the most probable defect configuration for the dominant EL2 electron trap usually detected in as-grown GaAs substrates.« less

Space charge in nanostructure resonances

NASA Astrophysics Data System (ADS)

Price, Peter J.

1996-10-01

In quantum ballistic propagation of electrons through a variety of nanostructures, resonance in the energy-dependent transmission and reflection probabilities generically is associated with (1) a quasi-level with a decay lifetime, and (2) a bulge in electron density within the structure. It can be shown that, to a good approximation, a simple formula in all cases connects the density of states for the latter to the energy dependence of the phase angles of the eigen values of the S-matrix governing the propagation. For both the Lorentzian resonances (normal or inverted) and for the Fano-type resonances, as a consequence of this eigen value formula, the space charge due to filled states over the energy range of a resonance is just equal (for each spin state) to one electron charge. The Coulomb interaction within this space charge is known to 'distort' the electrical characteristics of resonant nanostructures. In these systems, however, the exchange effect should effectively cancel the interaction between states with parallel spins, leaving only the anti-parallel spin contribution.

Density functional calculations of multiphonon capture cross sections at defects in semiconductors

NASA Astrophysics Data System (ADS)

Barmparis, Georgios D.; Puzyrev, Yevgeniy S.; Zhang, X.-G.; Pantelides, Sokrates T.

2014-03-01

The theory of electron capture cross sections by multiphonon processes in semiconductors has a long and controversial history. Here we present a comprehensive theory and describe its implementation for realistic calculations. The Born-Oppenheimer and the Frank-Condon approximations are employed. The transition probability of an incoming electron is written as a product of an instantaneous electronic transition in the initial defect configuration and the line shape function (LSF) that describes the multiphonon processes that lead to lattice relaxation. The electronic matrix elements are calculated using the Projector Augmented Wave (PAW) method which yields the true wave functions while still employing a plane-wave basis. The LSF is calculated by employing a Monte Carlo method and the real phonon modes of the defect, calculated using density functional theory in the PAW scheme. Initial results of the capture cross section for a prototype system, namely a triply hydrogenated vacancy in Si are presented. The results are relevant for modeling device degradation by hot electron effects. This work is supported in part by the Samsung Advanced Institute of Technology (SAIT)'s Global Research Outreach (GRO) Program and by the LDRD program at ORNL.

Electronic and transport properties of a molecular junction with asymmetric contacts.

PubMed

Tsai, M-H; Lu, T-H

2010-02-10

Asymmetric molecular junctions have been shown experimentally to exhibit a dual-conductance transport property with a pulse-like current-voltage characteristic, by Reed and co-workers. Using a recently developed first-principles integrated piecewise thermal equilibrium current calculation method and a gold-benzene-1-olate-4-thiolate-gold model molecular junction, this unusual transport property has been reproduced. Analysis of the electrostatics and the electronic structure reveals that the high-current state results from subtle bias induced charge transfer at the electrode-molecule contacts that raises molecular orbital energies and enhances the current-contributing molecular density of states and the probabilities of resonance tunneling of conduction electrons from one electrode to another.

The Effect of Temperature and Electric Field on a Quantum Pseudodot Qubit

NASA Astrophysics Data System (ADS)

Chen, Ying-Cong; Xiao, Jing-Lin

2018-02-01

The electron's probability density (EPD) and the oscillating period (OP) of an electron confined by a three-dimensional RbCl quantum pseudodot (QPD) are studied. Calculations are performed by employing variational method of Pekar type (VMPT) and the quantum statistics theory (QST).The influences of the temperature and electric field on the EPD and the OP of the RbCl QPD qubit have been derived in detail. According to the obtained results, it is observed that the EPD and the OP increase (decrease) with raising temperature at lower (higher) temperature region. They are decaying functions of the electric field.

A Method to Estimate the Probability That Any Individual Cloud-to-Ground Lightning Stroke Was Within Any Radius of Any Point

NASA Technical Reports Server (NTRS)

Huddleston, Lisa L.; Roeder, William P.; Merceret, Francis J.

2010-01-01

A new technique has been developed to estimate the probability that a nearby cloud-to-ground lightning stroke was within a specified radius of any point of interest. This process uses the bivariate Gaussian distribution of probability density provided by the current lightning location error ellipse for the most likely location of a lightning stroke and integrates it to determine the probability that the stroke is inside any specified radius of any location, even if that location is not centered on or even within the location error ellipse. This technique is adapted from a method of calculating the probability of debris collision with spacecraft. Such a technique is important in spaceport processing activities because it allows engineers to quantify the risk of induced current damage to critical electronics due to nearby lightning strokes. This technique was tested extensively and is now in use by space launch organizations at Kennedy Space Center and Cape Canaveral Air Force station.

Chemical Selectivity and Sensitivity of a 16-Channel Electronic Nose for Trace Vapour Detection

PubMed Central

Strle, Drago; Trifkovič, Mario; Van Miden, Marion; Kvasić, Ivan; Zupanič, Erik; Muševič, Igor

2017-01-01

Good chemical selectivity of sensors for detecting vapour traces of targeted molecules is vital to reliable detection systems for explosives and other harmful materials. We present the design, construction and measurements of the electronic response of a 16 channel electronic nose based on 16 differential microcapacitors, which were surface-functionalized by different silanes. The e-nose detects less than 1 molecule of TNT out of 10+12 N2 molecules in a carrier gas in 1 s. Differently silanized sensors give different responses to different molecules. Electronic responses are presented for TNT, RDX, DNT, H2S, HCN, FeS, NH3, propane, methanol, acetone, ethanol, methane, toluene and water. We consider the number density of these molecules and find that silane surfaces show extreme affinity for attracting molecules of TNT, DNT and RDX. The probability to bind these molecules and form a surface-adsorbate is typically 10+7 times larger than the probability to bind water molecules, for example. We present a matrix of responses of differently functionalized microcapacitors and we propose that chemical selectivity of multichannel e-nose could be enhanced by using artificial intelligence deep learning methods. PMID:29292764

The Electronic Structure and Optical Properties of Anatase TiO₂ with Rare Earth Metal Dopants from First-Principles Calculations.

PubMed

Xie, Kefeng; Jia, Qiangqiang; Wang, Yizhe; Zhang, Wenxue; Xu, Jingcheng

2018-01-24

The electronic and optical properties of the rare earth metal atom-doped anatase TiO₂ have been investigated systematically via density functional theory calculations. The results show that TiO₂ doped by Ce or Pr is the optimal choice because of its small band gap and strong optical absorption. Rare earth metal atom doping induces several impurity states that tune the location of valence and conduction bands and an obvious lattice distortion that should reduce the probability of electron-hole recombination. This effect of band change originates from the 4 f electrons of the rare earth metal atoms, which leads to an improved visible light absorption. This finding indicates that the electronic structure of anatase TiO₂ is tuned by the introduction of impurity atoms.

Effect of remote inductively coupled plasma (ICP) on the electron energy probability function of an in-tandem main ICP

NASA Astrophysics Data System (ADS)

Lee, Jaewon; Kim, Kyung-Hyun; Chung, Chin-Wook

2017-02-01

The remote plasma has been generally used as the auxiliary plasma source for indirect plasma processes such as cleaning or ashing. When tandem plasma sources that contain main and remote plasma sources are discharged, the main plasma is affected by the remote plasma and vice versa. Charged particles can move between two chambers due to the potential difference between the two plasmas. For this reason, the electron energy possibility function of the main plasma can be controlled by adjusting the remote plasma state. In our study, low energy electrons in the main plasma are effectively heated with varying remote plasma powers, and high energy electrons which overcome potential differences between two plasmas—are exchanged with no remarkable change in the plasma density and the effective electron temperature.

The effect of incremental changes in phonotactic probability and neighborhood density on word learning by preschool children

PubMed Central

Storkel, Holly L.; Bontempo, Daniel E.; Aschenbrenner, Andrew J.; Maekawa, Junko; Lee, Su-Yeon

2013-01-01

Purpose Phonotactic probability or neighborhood density have predominately been defined using gross distinctions (i.e., low vs. high). The current studies examined the influence of finer changes in probability (Experiment 1) and density (Experiment 2) on word learning. Method The full range of probability or density was examined by sampling five nonwords from each of four quartiles. Three- and 5-year-old children received training on nonword-nonobject pairs. Learning was measured in a picture-naming task immediately following training and 1-week after training. Results were analyzed using multi-level modeling. Results A linear spline model best captured nonlinearities in phonotactic probability. Specifically word learning improved as probability increased in the lowest quartile, worsened as probability increased in the midlow quartile, and then remained stable and poor in the two highest quartiles. An ordinary linear model sufficiently described neighborhood density. Here, word learning improved as density increased across all quartiles. Conclusion Given these different patterns, phonotactic probability and neighborhood density appear to influence different word learning processes. Specifically, phonotactic probability may affect recognition that a sound sequence is an acceptable word in the language and is a novel word for the child, whereas neighborhood density may influence creation of a new representation in long-term memory. PMID:23882005

A Cross-Sectional Comparison of the Effects of Phonotactic Probability and Neighborhood Density on Word Learning by Preschool Children

ERIC Educational Resources Information Center

Hoover, Jill R.; Storkel, Holly L.; Hogan, Tiffany P.

2010-01-01

Two experiments examined the effects of phonotactic probability and neighborhood density on word learning by 3-, 4-, and 5-year-old children. Nonwords orthogonally varying in probability and density were taught with learning and retention measured via picture naming. Experiment 1 used a within story probability/across story density exposure…

Helium like impurity in CdTe/ Cd1-xMnxTe semimagnetic semiconductors under magnetic field: Dimensionality effect on electron - Electron interaction

NASA Astrophysics Data System (ADS)

Kalpana, Panneer Selvam; Jayakumar, Kalyanasundaram

2017-11-01

We study the effect of magnetic field on the Coulomb interaction between the two electrons confined inside a CdTe/Cd1-xMnxTe Quantum Well (QW), Quantum Well Wire (QWW) and Quantum Dot (QD) for the composition of Mn2+ ion, x = 0.3. The two particle Schrodinger equation has been solved using variational technique in the effective mass approximation. The results show that the applied magnetic field tremendously alters the Coulomb interaction of the electrons and their binding to the donor impurity by shrinking the spatial extension of the two particle wavefunction and leads to tunnelling through the barrier. The qualitative phenomenon involved in such variation of electron - electron interaction with the magnetic field has also been explained through the 3D - plot of the probability density function.

Theoretical and material studies of thin-film electroluminescent devices

NASA Technical Reports Server (NTRS)

Summers, C. J.

1989-01-01

Thin-film electroluminescent (TFEL) devices are studied for a possible means of achieving a high resolution, light weight, compact video display panel for computer terminals or television screens. The performance of TFEL devices depends upon the probability of an electron impact exciting a luminescent center which in turn depends upon the density of centers present in the semiconductor layer, the possibility of an electron achieving the impact excitation threshold energy, and the collision cross section itself. Efficiency of such a device is presently very poor. It can best be improved by increasing the number of hot electrons capable of impact exciting a center. Hot electron distributions and a method for increasing the efficiency and brightness of TFEL devices (with the additional advantage of low voltage direct current operation) are investigated.

Imaging the He2 quantum halo state using a free electron laser

PubMed Central

Zeller, Stefan; Kunitski, Maksim; Voigtsberger, Jörg; Kalinin, Anton; Schottelius, Alexander; Schober, Carl; Waitz, Markus; Sann, Hendrik; Hartung, Alexander; Bauer, Tobias; Pitzer, Martin; Trinter, Florian; Goihl, Christoph; Janke, Christian; Richter, Martin; Kastirke, Gregor; Weller, Miriam; Czasch, Achim; Kitzler, Markus; Braune, Markus; Grisenti, Robert E.; Schmidt, Lothar Ph. H.; Schöffler, Markus S.; Williams, Joshua B.; Jahnke, Till; Dörner, Reinhard

2016-01-01

Quantum tunneling is a ubiquitous phenomenon in nature and crucial for many technological applications. It allows quantum particles to reach regions in space which are energetically not accessible according to classical mechanics. In this “tunneling region,” the particle density is known to decay exponentially. This behavior is universal across all energy scales from nuclear physics to chemistry and solid state systems. Although typically only a small fraction of a particle wavefunction extends into the tunneling region, we present here an extreme quantum system: a gigantic molecule consisting of two helium atoms, with an 80% probability that its two nuclei will be found in this classical forbidden region. This circumstance allows us to directly image the exponentially decaying density of a tunneling particle, which we achieved for over two orders of magnitude. Imaging a tunneling particle shows one of the few features of our world that is truly universal: the probability to find one of the constituents of bound matter far away is never zero but decreases exponentially. The results were obtained by Coulomb explosion imaging using a free electron laser and furthermore yielded He2’s binding energy of 151.9±13.3 neV, which is in agreement with most recent calculations. PMID:27930299

First-principles study of intermediate-spin ferrous iron in the Earth's lower mantle

NASA Astrophysics Data System (ADS)

Hsu, Han; Wentzcovitch, Renata M.

2014-11-01

Spin crossover of iron is of central importance in solid Earth geophysics. It impacts all physical properties of minerals that altogether constitute ˜95 vol% of the Earth's lower mantle: ferropericlase [(Mg,Fe)O] and Fe-bearing magnesium silicate (MgSiO3) perovskite. Despite great strides made in the past decade, the existence of an intermediate-spin (IS) state in ferrous iron (Fe2 +) (with total electron spin S =1 ) and its possible role in the pressure-induced spin crossover in these lower-mantle minerals still remain controversial. Using density functional theory + self-consistent Hubbard U (DFT+Usc ) calculations, we investigate all possible types of IS states of Fe2 + in (Mg,Fe)O and (Mg,Fe)SiO3 perovskite. Among the possible IS states in these minerals, the most probable IS state has an electronic configuration that significantly reduces the electron overlap and the iron nuclear quadrupole splitting (QS). These most probable IS states, however, are still energetically disfavored, and their QSs are inconsistent with Mössbauer spectra. We therefore conclude that IS Fe2 + is highly unlikely in the Earth's lower mantle.

Small-scale plasma, magnetic, and neutral density fluctuations in the nightside Venus ionosphere

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

Hoegy, W.R.; Brace, L.H.; Kasprazak, W.T.

1990-04-01

Pioneer Venus orbiter measurements have shown that coherent small-scale waves exist in the electron density, the electron temperature, and the magnetic field in the lower ionosphere of Venus just downstream of the solar terminator (Brace et al., 1983). The waves become less regular and less coherent at larger solar zenith angles, and Brace et al. suggested that these structures may have evolved from the terminator waves as they are convected into the nightside ionosphere, driven by the day-to-night plasma pressure gradient. In this paper the authors describe the changes in wave characteristics with solar zenith angle and show that themore » neutral gas also has related wave characteristics, probably because of atmospheric gravity waves. The plasma pressure exceeds the magnetic pressure in the nightside ionosphere at these altitudes, and thus the magnetic field is carried along and controlled by the turbulent motion of the plasma, but the wavelike nature of the thermosphere may also be coupled to the plasma and magnetic structure. They show that there is a significant coherence between the ionosphere, thermosphere, and magnetic parameters at altitudes below about 185 km, a coherence which weakens in the antisolar region. The electron temperature and density are approximately 180{degree} out of phase and consistently exhibit the highest correlation of any pair of variables. Waves in the electron and neutral densities are moderately correlated on most orbits, but with a phase difference that varies within each orbit. The average electron temperature is higher when the average magnetic field is more horizontal; however, the correlation between temperature and dip angle does not extend to individual wave structures observed within a satellite pass, particularly in the antisolar region.« less

Oxygen adsorption and incorporation at irradiated GaN(0001) and GaN(0001¯) surfaces: First-principles density-functional calculations

NASA Astrophysics Data System (ADS)

Sun, Qiang; Selloni, Annabella; Myers, T. H.; Doolittle, W. Alan

2006-11-01

Density functional theory calculations of oxygen adsorption and incorporation at the polar GaN(0001) and GaN(0001¯) surfaces have been carried out to explain the experimentally observed reduced oxygen concentration in GaN samples grown by molecular beam epitaxy in the presence of high energy (˜10keV) electron beam irradiation [Myers , J. Vac. Sci. Technol. B 18, 2295 (2000)]. Using a model in which the effect of the irradiation is to excite electrons from the valence to the conduction band, we find that both the energy cost of incorporating oxygen impurities in deeper layers and the oxygen adatom diffusion barriers are significantly reduced in the presence of the excitation. The latter effect leads to a higher probability for two O adatoms to recombine and desorb, and thus to a reduced oxygen concentration in the irradiated samples, consistent with experimental observations.

Open-orbit theory of photoionization microscopy on nonhydrogenic atoms

NASA Astrophysics Data System (ADS)

Liu, F. L.; Zhao, L. B.

2017-04-01

Semiclassical open-orbit theory (OOT), previously developed to study photoionization of hydrogenic atoms in a uniform electric field [L. B. Zhao and J. B. Delos, Phys. Rev. A 81, 053417 (2010), 10.1103/PhysRevA.81.053417], has been generalized to describe the propagation of outgoing electron waves to macroscopic distances from a nonhydrogenic atomic source. The generalized OOT has been applied to calculate spatial distributions of electron probability densities and current densities, produced due to photoionization for lithium in a uniform electric field. The obtained results are compared with those from the fully quantum-mechanical coupled-channel theory (CCT). The excellent agreement between the CCT and OOT confirms the reliability of the generalized OOT. Comparison is also made with theoretical calculations from the wave-packet propagation technique and the recent photoionization microscopy experiment. The existing difference between theory and experiment is discussed.

Covariant Formulation of Fluid Dynamics and Estakhr's Material Geodesic Equation, far down the Rabbit hole

NASA Astrophysics Data System (ADS)

Estakhr, Ahmad Reza

2013-11-01

``When i meet God, I am going to ask him two questions, why relativity and why turbulence. A. Einstein'' You probably will not need to ask these questions of God, I've already answered both of them. Uμ = γ (c , u (r --> , t)) denotes four-velocity field. Jμ = ρUμ denotes four-current mass density. Estakhr's Material-Geodesic equation is developed analogy of Navier Stokes equation and Einstein Geodesic equation. DJμ/Dτ =dJμ/Dτ +ΓαβμJαUβ =JνΩμν +∂νTμν +ΓαβμJαUβ Covariant formulation of fluid dynamics, describe the motion of fluid substances. The local existence and uniqueness theorem for geodesics states that geodesics on a smooth manifold with an affine connection exist, and are unique. EMG equation is also applicable in different branches of physics, it all depend on what you mean by 4-current density, if you mean 4-current electron number density then it is plasma physics, if you mean 4-current electron charge density then it is DJμ/Dτ =JνFμν +∂νTμν +ΓαβμJαUβ electromagnetism.

Source Region and Growth Analysis of Narrowband Z-mode Emission at Saturn

NASA Astrophysics Data System (ADS)

Menietti, J. D.; Pisa, D.; Santolik, O.; Ye, S.; Arridge, C. S.; Coates, A. J.

2015-12-01

Z-mode intensity levels can be significant in the lower density region near the inner edge of the Enceladus torus at Saturn, where these waves may resonate with electrons at MeV energies. The source mechanism of this emission, which is narrow banded and most intense near 5 kHz, is not yet well understood. We survey the Cassini Radio and Plasma Wave Science (RPWS) data to isolate several probable source regions. Electron phase space distributions are obtained from the Cassini Electron Spectrometer (ELS), a part of the Cassini Plasma Spectrometer (CAPS) investigation. These data are analyzed in seeking the wave source mechanism, free energy source and growth rate of Z-mode observations. We present the first results of our analysis.

Conduction band fluctuation scattering due to alloy clustering in barrier layers in InAlN/GaN heterostructures

NASA Astrophysics Data System (ADS)

Li, Qun; Chen, Qian; Chong, Jing

2017-12-01

In InAlN/GaN heterostructures, alloy clustering-induced InAlN conduction band fluctuations interact with electrons penetrating into the barrier layers and thus affect the electron transport. Based on the statistical description of InAlN compositional distribution, a theoretical model of the conduction band fluctuation scattering (CBFS) is presented. The model calculations show that the CBFS-limited mobility decreases with increasing two-dimensional electron gas sheet density and is inversely proportional to the squared standard deviation of In distribution. The AlN interfacial layer can effectively suppress the CBFS via decreasing the penetration probability. This model is directed towards understanding the transport properties in heterostructure materials with columnar clusters.

On the probability distribution function of the mass surface density of molecular clouds. I

NASA Astrophysics Data System (ADS)

Fischera, Jörg

2014-05-01

The probability distribution function (PDF) of the mass surface density is an essential characteristic of the structure of molecular clouds or the interstellar medium in general. Observations of the PDF of molecular clouds indicate a composition of a broad distribution around the maximum and a decreasing tail at high mass surface densities. The first component is attributed to the random distribution of gas which is modeled using a log-normal function while the second component is attributed to condensed structures modeled using a simple power-law. The aim of this paper is to provide an analytical model of the PDF of condensed structures which can be used by observers to extract information about the condensations. The condensed structures are considered to be either spheres or cylinders with a truncated radial density profile at cloud radius rcl. The assumed profile is of the form ρ(r) = ρc/ (1 + (r/r0)2)n/ 2 for arbitrary power n where ρc and r0 are the central density and the inner radius, respectively. An implicit function is obtained which either truncates (sphere) or has a pole (cylinder) at maximal mass surface density. The PDF of spherical condensations and the asymptotic PDF of cylinders in the limit of infinite overdensity ρc/ρ(rcl) flattens for steeper density profiles and has a power law asymptote at low and high mass surface densities and a well defined maximum. The power index of the asymptote Σ- γ of the logarithmic PDF (ΣP(Σ)) in the limit of high mass surface densities is given by γ = (n + 1)/(n - 1) - 1 (spheres) or by γ = n/ (n - 1) - 1 (cylinders in the limit of infinite overdensity). Appendices are available in electronic form at http://www.aanda.org

Confinement effects on electron and phonon degrees of freedom in nanofilm superconductors: A Green function approach

NASA Astrophysics Data System (ADS)

Saniz, R.; Partoens, B.; Peeters, F. M.

2013-02-01

The Green function approach to the Bardeen-Cooper-Schrieffer theory of superconductivity is used to study nanofilms. We go beyond previous models and include effects of confinement on the strength of the electron-phonon coupling as well as on the electronic spectrum and on the phonon modes. Within our approach, we find that in ultrathin films, confinement effects on the electronic screening become very important. Indeed, contrary to what has been advanced in recent years, the sudden increases of the density of states when new bands start to be occupied as the film thickness increases, tend to suppress the critical temperature rather than to enhance it. On the other hand, the increase of the number of phonon modes with increasing number of monolayers in the film leads to an increase in the critical temperature. As a consequence, the superconducting critical parameters in such nanofilms are determined by these two competing effects. Furthermore, in sufficiently thin films, the condensate consists of well-defined subcondensates associated with the occupied bands, each with a distinct coherence length. The subcondensates can interfere constructively or destructively giving rise to an interference pattern in the Cooper pair probability density.

Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism.

PubMed

Zobač, Vladimír; Lewis, James P; Abad, Enrique; Mendieta-Moreno, Jesús I; Hapala, Prokop; Jelínek, Pavel; Ortega, José

2015-05-08

The computational simulation of photo-induced processes in large molecular systems is a very challenging problem. Firstly, to properly simulate photo-induced reactions the potential energy surfaces corresponding to excited states must be appropriately accessed; secondly, understanding the mechanisms of these processes requires the exploration of complex configurational spaces and the localization of conical intersections; finally, photo-induced reactions are probability events, that require the simulation of hundreds of trajectories to obtain the statistical information for the analysis of the reaction profiles. Here, we present a detailed description of our implementation of a molecular dynamics with electronic transitions algorithm within the local-orbital density functional theory code FIREBALL, suitable for the computational study of these problems. As an example of the application of this approach, we also report results on the [2 + 2] cycloaddition of ethylene with maleic anhydride and on the [2 + 2] photo-induced polymerization reaction of two C60 molecules. We identify different deactivation channels of the initial electron excitation, depending on the time of the electronic transition from LUMO to HOMO, and the character of the HOMO after the transition.

A spatially explicit model for an Allee effect: why wolves recolonize so slowly in Greater Yellowstone.

PubMed

Hurford, Amy; Hebblewhite, Mark; Lewis, Mark A

2006-11-01

A reduced probability of finding mates at low densities is a frequently hypothesized mechanism for a component Allee effect. At low densities dispersers are less likely to find mates and establish new breeding units. However, many mathematical models for an Allee effect do not make a distinction between breeding group establishment and subsequent population growth. Our objective is to derive a spatially explicit mathematical model, where dispersers have a reduced probability of finding mates at low densities, and parameterize the model for wolf recolonization in the Greater Yellowstone Ecosystem (GYE). In this model, only the probability of establishing new breeding units is influenced by the reduced probability of finding mates at low densities. We analytically and numerically solve the model to determine the effect of a decreased probability in finding mates at low densities on population spread rate and density. Our results suggest that a reduced probability of finding mates at low densities may slow recolonization rate.

Is the Pauli exclusion principle the origin of electron localisation?

NASA Astrophysics Data System (ADS)

Rincón, Luis; Torres, F. Javier; Almeida, Rafael

2018-03-01

In this work, we inquire into the origins of the electron localisation as obtained from the information content of the same-spin pair density, γσ, σ(r2∣r1). To this end, we consider systems of non-interacting and interacting identical Fermions contained in two simple 1D potential models: (1) an infinite potential well and (2) the Kronig-Penney periodic potential. The interparticle interaction is considered through the Hartree-Fock approximation as well as the configuration interaction expansion. Morover, the electron localisation is described through the Kullback-Leibler divergence between γσ, σ(r2∣r1) and its associated marginal probability. The results show that, as long as the adopted method properly includes the Pauli principle, the electronic localisation depends only modestly on the interparticle interaction. In view of the latter, one may conclude that the Pauli principle is the main responsible for the electron localisation.

Variations in Ionospheric Peak Electron Density During Sudden Stratospheric Warmings in the Arctic Region

NASA Astrophysics Data System (ADS)

Yasyukevich, A. S.

2018-04-01

The focus of the paper is the ionospheric disturbances during sudden stratospheric warming (SSW) events in the Arctic region. This study examines the ionospheric behavior during 12 SSW events, which occurred in the Northern Hemisphere over 2006-2013, based on vertical sounding data from DPS-4 ionosonde located in Norilsk (88.0°E, 69.2°N). Most of the addressed events show that despite generally quiet geomagnetic conditions, notable changes in the ionospheric behavior are observed during SSWs. During the SSW evolution and peak phases, there is a daytime decrease in NmF2 values at 10-20% relative to background level. After the SSW maxima, in contrast, midday NmF2 surpasses the average monthly values for 10-20 days. These changes in the electron density are observed for both strong and weak stratospheric warmings occurring at midwinter. The revealed SSW effects in the polar ionosphere are assumed to be associated with changes in the thermospheric neutral composition, affecting the F2-layer electron density. Analysis of the Global Ultraviolet Imager data revealed the positive variations in the O/N2 ratio within the thermosphere during SSW peak and recovery periods. Probable mechanisms for SSW impact on the state of the high-latitude neutral thermosphere and ionosphere are discussed.

Dark-field phase retrieval under the constraint of the Friedel symmetry in coherent X-ray diffraction imaging.

PubMed

Kobayashi, Amane; Sekiguchi, Yuki; Takayama, Yuki; Oroguchi, Tomotaka; Nakasako, Masayoshi

2014-11-17

Coherent X-ray diffraction imaging (CXDI) is a lensless imaging technique that is suitable for visualizing the structures of non-crystalline particles with micrometer to sub-micrometer dimensions from material science and biology. One of the difficulties inherent to CXDI structural analyses is the reconstruction of electron density maps of specimen particles from diffraction patterns because saturated detector pixels and a beam stopper result in missing data in small-angle regions. To overcome this difficulty, the dark-field phase-retrieval (DFPR) method has been proposed. The DFPR method reconstructs electron density maps from diffraction data, which are modified by multiplying Gaussian masks with an observed diffraction pattern in the high-angle regions. In this paper, we incorporated Friedel centrosymmetry for diffraction patterns into the DFPR method to provide a constraint for the phase-retrieval calculation. A set of model simulations demonstrated that this constraint dramatically improved the probability of reconstructing correct electron density maps from diffraction patterns that were missing data in the small-angle region. In addition, the DFPR method with the constraint was applied successfully to experimentally obtained diffraction patterns with significant quantities of missing data. We also discuss this method's limitations with respect to the level of Poisson noise in X-ray detection.

Influence of Molecular Oxygen on Ortho-Para Conversion of Water Molecules

NASA Astrophysics Data System (ADS)

Valiev, R. R.; Minaev, B. F.

2017-07-01

The mechanism of influence of molecular oxygen on the probability of ortho-para conversion of water molecules and its relation to water magnetization are considered within the framework of the concept of paramagnetic spin catalysis. Matrix elements of the hyperfine ortho-para interaction via the Fermi contact mechanism are calculated, as well as the Maliken spin densities on water protons in H2O and O2 collisional complexes. The mechanism of penetration of the electron spin density into the water molecule due to partial spin transfer from paramagnetic oxygen is considered. The probability of ortho-para conversion of the water molecules is estimated by the quantum chemistry methods. The results obtained show that effective ortho-para conversion of the water molecules is possible during the existence of water-oxygen dimers. An external magnetic field affects the ortho-para conversion rate given that the wave functions of nuclear spin sublevels of the water protons are mixed in the complex with oxygen.

Non-Gaussianity in a quasiclassical electronic circuit

NASA Astrophysics Data System (ADS)

Suzuki, Takafumi J.; Hayakawa, Hisao

2017-05-01

We study the non-Gaussian dynamics of a quasiclassical electronic circuit coupled to a mesoscopic conductor. Non-Gaussian noise accompanying the nonequilibrium transport through the conductor significantly modifies the stationary probability density function (PDF) of the flux in the dissipative circuit. We incorporate weak quantum fluctuation of the dissipative LC circuit with a stochastic method and evaluate the quantum correction of the stationary PDF. Furthermore, an inverse formula to infer the statistical properties of the non-Gaussian noise from the stationary PDF is derived in the classical-quantum crossover regime. The quantum correction is indispensable to correctly estimate the microscopic transfer events in the QPC with the quasiclassical inverse formula.

Estimate of radiation damage to low-level electronics of the RF system in the LHC cavities arising from beam gas collisions.

PubMed

Butterworth, A; Ferrari, A; Tsoulou, E; Vlachoudis, V; Wijnands, T

2005-01-01

Monte Carlo simulations have been performed to estimate the radiation damage induced by high-energy hadrons in the digital electronics of the RF low-level systems in the LHC cavities. High-energy hadrons are generated when the proton beams interact with the residual gas. The contributions from various elements-vacuum chambers, cryogenic cavities, wideband pickups and cryomodule beam tubes-have been considered individually, with each contribution depending on the gas composition and density. The probability of displacement damage and single event effects (mainly single event upsets) is derived for the LHC start-up conditions.

Femtosecond laser-induced periodic structure adjustments based on electron dynamics control: from subwavelength ripples to double-grating structures.

PubMed

Shi, Xuesong; Jiang, Lan; Li, Xin; Wang, Sumei; Yuan, Yanping; Lu, Yongfeng

2013-10-01

This study proposes a method for adjusting subwavelength ripple periods and the corresponding double-grating structures formed on fused silica by designing femtosecond laser pulse trains based on localized transient electron density control. Four near-constant period ranges of 190-490 nm of ripples perpendicular to the polarization are obtained by designing pulse trains to excite and modulate the surface plasmon waves. In the period range of 350-490 nm, the double-grating structure is fabricated in one step, which is probably attributable to the grating-assisted enhanced energy deposition and subsequent thermal effects.

The Electronic Structure and Optical Properties of Anatase TiO2 with Rare Earth Metal Dopants from First-Principles Calculations

PubMed Central

Xie, Kefeng; Jia, Qiangqiang; Wang, Yizhe; Zhang, Wenxue; Xu, Jingcheng

2018-01-01

The electronic and optical properties of the rare earth metal atom-doped anatase TiO2 have been investigated systematically via density functional theory calculations. The results show that TiO2 doped by Ce or Pr is the optimal choice because of its small band gap and strong optical absorption. Rare earth metal atom doping induces several impurity states that tune the location of valence and conduction bands and an obvious lattice distortion that should reduce the probability of electron–hole recombination. This effect of band change originates from the 4f electrons of the rare earth metal atoms, which leads to an improved visible light absorption. This finding indicates that the electronic structure of anatase TiO2 is tuned by the introduction of impurity atoms. PMID:29364161

Optoelectronics of inverted type-I CdS/CdSe core/crown quantum ring

NASA Astrophysics Data System (ADS)

Bose, Sumanta; Fan, Weijun; Zhang, Dao Hua

2017-10-01

Inverted type-I heterostructure core/crown quantum rings (QRs) are quantum-efficient luminophores, whose spectral characteristics are highly tunable. Here, we study the optoelectronic properties of type-I core/crown CdS/CdSe QRs in the zincblende phase—over contrasting lateral size and crown width. For this, we inspect their strain profiles, transition energies, transition matrix elements, spatial charge densities, electronic bandstructures, band-mixing probabilities, optical gain spectra, maximum optical gains, and differential optical gains. Our framework uses an effective-mass envelope function theory based on the 8-band k ṡ p method employing the valence force field model for calculating the atomic strain distributions. The gain calculations are based on the density-matrix equation and take into consideration the excitonic effects with intraband scattering. Variations in the QR lateral size and relative widths of core and crown (ergo the composition) affect their energy levels, band-mixing probabilities, optical transition matrix elements, emission wavelengths/intensities, etc. The optical gain of QRs is also strongly dimension and composition dependent with further dependency on the injection carrier density causing the band-filling effect. They also affect the maximum and differential gain at varying dimensions and compositions.

Theoretical studies of positron states and annihilation characteristics at the oxidized Cu(100) surface

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Weiss, A. H.

2013-04-01

In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. An ab-initio study of the electronic properties of the Cu(100) missing row reconstructed surface at various on surface and sub-surface oxygen coverages has been performed on the basis of the density functional theory (DFT) using the Dmol3 code and the generalized gradient approximation (GGA). Surface structures in calculations have been constructed by adding oxygen atoms to various surface hollow and sub-surface octahedral sites of the 0.5 monolayer (ML) missing row reconstructed phase of the Cu(100) surface with oxygen coverages ranging from 0.5 to 1.5 ML. The charge redistribution at the surface and variations in atomic structure and chemical composition of the topmost layers associated with oxidation and surface reconstruction have been found to affect the spatial extent and localization of the positron surface state wave function and annihilation probabilities of surface trapped positrons with relevant core electrons. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES). It has been shown that positron annihilation probabilities with Cu 3s and 3p core electrons decrease when total (on-surface and sub-surface) oxygen coverage of the Cu(100) surface increases up to 1 ML. The calculations show that for high oxygen coverage when total oxygen coverage is 1. 5 ML the positron is not bound to the surface.

Theoretical studies of positron states and annihilation characteristics at the oxidized Cu(100) surface

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

Fazleev, N. G.; Weiss, A. H.

2013-04-19

In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. An ab-initio study of the electronic properties of the Cu(100) missing row reconstructed surface at various on surface and sub-surface oxygen coverages has been performed on the basis of the density functional theory (DFT) using the Dmol3 code and the generalized gradient approximation (GGA). Surface structures in calculations have been constructed by adding oxygen atoms to various surface hollow and sub-surface octahedral sitesmore » of the 0.5 monolayer (ML) missing row reconstructed phase of the Cu(100) surface with oxygen coverages ranging from 0.5 to 1.5 ML. The charge redistribution at the surface and variations in atomic structure and chemical composition of the topmost layers associated with oxidation and surface reconstruction have been found to affect the spatial extent and localization of the positron surface state wave function and annihilation probabilities of surface trapped positrons with relevant core electrons. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES). It has been shown that positron annihilation probabilities with Cu 3s and 3p core electrons decrease when total (on-surface and sub-surface) oxygen coverage of the Cu(100) surface increases up to 1 ML. The calculations show that for high oxygen coverage when total oxygen coverage is 1. 5 ML the positron is not bound to the surface.« less

Study of discharge cleaning process in JIPP T-2 Torus by residual gas analyzer

NASA Astrophysics Data System (ADS)

Noda, N.; Hirokura, S.; Taniguchi, Y.; Tanahashi, S.

1982-12-01

During discharge cleaning, decay time of water vapor pressure changes when the pressure reaches a certain level. A long decay time observed in the later phase can be interpreted as a result of a slow deoxidization rate of chromium oxide, which may dominate the cleaning process in this phase. Optimization of plasma density for the cleaning is discussed comparing the experimental results on density dependence of water vapor pressure with a result based on a zero dimensional calculation for particle balance. One of the essential points for effective cleaning is the raising of the electron density of the plasma high enough that the dissociation loss rate of H2O is as large as the sticking loss rate. A density as high as 10 to the 11th power/cu cm is required for a clean surface condition where sticking probability is presumed to be around 0.5.

A plasmapause-like density boundary at high latitudes in Saturn's magnetosphere

NASA Astrophysics Data System (ADS)

Gurnett, D. A.; Persoon, A. M.; Kopf, A. J.; Kurth, W. S.; Morooka, M. W.; Wahlund, J.-E.; Khurana, K. K.; Dougherty, M. K.; Mitchell, D. G.; Krimigis, S. M.; Krupp, N.

2010-08-01

Here we report the discovery of a well-defined plasma density boundary at high latitudes in Saturn's magnetosphere. The boundary separates a region of relatively high density at L less than about 8 to 15 from a region with densities nearly three orders of magnitude lower at higher L values. Magnetic field measurements show that strong field-aligned currents, probably associated with the aurora, are located just inside the boundary. Analyses of the anisotropy of energetic electrons show that the magnetic field lines are usually closed inside the boundary and open outside the boundary, although exceptions sometimes occur. The location of the boundary is also modulated at the ˜10.6 to 10.8 hr rotational period of the planet. Many of these characteristics are similar to those predicted by Brice and Ioannidis for the plasmapause at a strongly magnetized, rapidly rotating planet such as Saturn.

Probing interfacial characteristics of rubrene/pentacene and pentacene/rubrene bilayers with soft X-ray spectroscopy.

PubMed

Seo, J H; Pedersen, T M; Chang, G S; Moewes, A; Yoo, K-H; Cho, S J; Whang, C N

2007-08-16

The electronic structure of rubrene/pentacene and pentacene/rubrene bilayers has been investigated using soft X-ray absorption spectroscopy, resonant X-ray emission spectroscopy, and density-functional theory calculations. X-ray absorption and emission measurements reveal that it has been possible to alter the lowest unoccupied and the highest occupied molecular orbital states of rubrene in rubrene/pentacene bilayer. In the reverse case, one gets p* molecular orbital states originating from the pentacene layer. Resonant X-ray emission spectra suggest a reduction in the hole-transition probabilities for the pentacene/rubrene bilayer in comparison to reference pentacene layer. For the rubrenepentacene structure, the hole-transition probability shows an increase in comparison to the rubrene reference. We also determined the energy level alignment of the pentacene-rubrene interface by using X-ray and ultraviolet photoelectron spectroscopy. From these comparisons, it is found that the electronic structure of the pentacene-rubrene interface has a strong dependence on interface characteristics which depends on the order of the layers used.

A Method to Estimate the Probability that any Individual Cloud-to-Ground Lightning Stroke was Within any Radius of any Point

NASA Technical Reports Server (NTRS)

Huddleston, Lisa L.; Roeder, William P.; Merceret, Francis J.

2011-01-01

A new technique has been developed to estimate the probability that a nearby cloud to ground lightning stroke was within a specified radius of any point of interest. This process uses the bivariate Gaussian distribution of probability density provided by the current lightning location error ellipse for the most likely location of a lightning stroke and integrates it to determine the probability that the stroke is inside any specified radius of any location, even if that location is not centered on or even with the location error ellipse. This technique is adapted from a method of calculating the probability of debris collision with spacecraft. Such a technique is important in spaceport processing activities because it allows engineers to quantify the risk of induced current damage to critical electronics due to nearby lightning strokes. This technique was tested extensively and is now in use by space launch organizations at Kennedy Space Center and Cape Canaveral Air Force Station. Future applications could include forensic meteorology.

A Method to Estimate the Probability that Any Individual Cloud-to-Ground Lightning Stroke was Within Any Radius of Any Point

NASA Technical Reports Server (NTRS)

Huddleston, Lisa; Roeder, WIlliam P.; Merceret, Francis J.

2011-01-01

A new technique has been developed to estimate the probability that a nearby cloud-to-ground lightning stroke was within a specified radius of any point of interest. This process uses the bivariate Gaussian distribution of probability density provided by the current lightning location error ellipse for the most likely location of a lightning stroke and integrates it to determine the probability that the stroke is inside any specified radius of any location, even if that location is not centered on or even within the location error ellipse. This technique is adapted from a method of calculating the probability of debris collision with spacecraft. Such a technique is important in spaceport processing activities because it allows engineers to quantify the risk of induced current damage to critical electronics due to nearby lightning strokes. This technique was tested extensively and is now in use by space launch organizations at Kennedy Space Center and Cape Canaveral Air Force station. Future applications could include forensic meteorology.

Positron Annihilation Induced Auger Electron Spectroscopic Studies Of Reconstructed Semiconductor Surfaces

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Reed, J. A.; Starnes, S. G.; Weiss, A. H.

2011-06-01

The positron annihilation induced Auger spectrum from GaAs(100) displays six As and three Ga Auger peaks below 110 eV corresponding to M4,5VV, M2M4V, M2,3M4,5M4,5 Auger transitions for As and M2,3M4,5M4,5 Auger transitions for Ga. The integrated Auger peak intensities have been used to obtain experimental annihilation probabilities of surface trapped positrons with As 3p and 3d and Ga 3p core level electrons. PAES data is analyzed by performing calculations of positron surface and bulk states and annihilation characteristics of surface trapped positrons with relevant Ga and As core level electrons for both Ga- and As-rich (100) surfaces of GaAs, ideally terminated, non-reconstructed and with (2×8), (2×4), and (4×4) reconstructions. The orientation-dependent variations of the atomic and electron densities associated with reconstructions are found to affect localization of the positron wave function at the surface. Computed positron binding energy, work function, and annihilation characteristics demonstrate their sensitivity both to chemical composition and atomic structure of the topmost layers of the surface. Theoretical annihilation probabilities of surface trapped positrons with As 3d, 3p, and Ga 3p core level electrons are compared with the ones estimated from the measured Auger peak intensities.

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

A Probabilistic, Facility-Centric Approach to Lightning Strike Location

NASA Technical Reports Server (NTRS)

Huddleston, Lisa L.; Roeder, William p.; Merceret, Francis J.

2012-01-01

A new probabilistic facility-centric approach to lightning strike location has been developed. This process uses the bivariate Gaussian distribution of probability density provided by the current lightning location error ellipse for the most likely location of a lightning stroke and integrates it to determine the probability that the stroke is inside any specified radius of any location, even if that location is not centered on or even with the location error ellipse. This technique is adapted from a method of calculating the probability of debris collisionith spacecraft. Such a technique is important in spaceport processing activities because it allows engineers to quantify the risk of induced current damage to critical electronics due to nearby lightning strokes. This technique was tested extensively and is now in use by space launch organizations at Kennedy Space Center and Cape Canaveral Air Force Station. Future applications could include forensic meteorology.

Imaging the He2 quantum halo state using a free electron laser

NASA Astrophysics Data System (ADS)

Zeller, Stefan; Kunitski, Maksim; Voigtsberger, Jörg; Kalinin, Anton; Schottelius, Alexander; Schober, Carl; Waitz, Markus; Sann, Hendrik; Hartung, Alexander; Bauer, Tobias; Pitzer, Martin; Trinter, Florian; Goihl, Christoph; Janke, Christian; Richter, Martin; Kastirke, Gregor; Weller, Miriam; Czasch, Achim; Kitzler, Markus; Braune, Markus; Grisenti, Robert E.; Schöllkopf, Wieland; Schmidt, Lothar Ph. H.; Schöffler, Markus S.; Williams, Joshua B.; Jahnke, Till; Dörner, Reinhard

2016-12-01

Quantum tunneling is a ubiquitous phenomenon in nature and crucial for many technological applications. It allows quantum particles to reach regions in space which are energetically not accessible according to classical mechanics. In this “tunneling region,” the particle density is known to decay exponentially. This behavior is universal across all energy scales from nuclear physics to chemistry and solid state systems. Although typically only a small fraction of a particle wavefunction extends into the tunneling region, we present here an extreme quantum system: a gigantic molecule consisting of two helium atoms, with an 80% probability that its two nuclei will be found in this classical forbidden region. This circumstance allows us to directly image the exponentially decaying density of a tunneling particle, which we achieved for over two orders of magnitude. Imaging a tunneling particle shows one of the few features of our world that is truly universal: the probability to find one of the constituents of bound matter far away is never zero but decreases exponentially. The results were obtained by Coulomb explosion imaging using a free electron laser and furthermore yielded He2’s binding energy of 151.9±13.3151.9±13.3 neV, which is in agreement with most recent calculations.

On electron heating in a low pressure capacitively coupled oxygen discharge

NASA Astrophysics Data System (ADS)

Gudmundsson, J. T.; Snorrason, D. I.

2017-11-01

We use the one-dimensional object-oriented particle-in-cell Monte Carlo collision code oopd1 to explore the charged particle densities, the electronegativity, the electron energy probability function, and the electron heating mechanism in a single frequency capacitively coupled oxygen discharge, when the applied voltage amplitude is varied. We explore discharges operated at 10 mTorr, where electron heating within the plasma bulk (the electronegative core) dominates, and at 50 mTorr, where sheath heating dominates. At 10 mTorr, the discharge is operated in a combined drift-ambipolar and α-mode, and at 50 mTorr, it is operated in the pure α-mode. At 10 mTorr, the effective electron temperature is high and increases with increased driving voltage amplitude, while at 50 mTorr, the effective electron temperature is much lower, in particular, within the electronegative core, where it is roughly 0.2-0.3 eV, and varies only a little with the voltage amplitude.

Multiphoton ionization of many-electron atoms and highly-charged ions in intense laser fields: a relativistic time-dependent density functional theory approach

NASA Astrophysics Data System (ADS)

Tumakov, Dmitry A.; Telnov, Dmitry A.; Maltsev, Ilia A.; Plunien, Günter; Shabaev, Vladimir M.

2017-10-01

We develop an efficient numerical implementation of the relativistic time-dependent density functional theory (RTDDFT) to study multielectron highly-charged ions subject to intense linearly-polarized laser fields. The interaction with the electromagnetic field is described within the electric dipole approximation. The resulting time-dependent relativistic Kohn-Sham (RKS) equations possess an axial symmetry and are solved accurately and efficiently with the help of the time-dependent generalized pseudospectral method. As a case study, we calculate multiphoton ionization probabilities of the neutral argon atom and argon-like xenon ion. Relativistic effects are assessed by comparison of our present results with existing non-relativistic data.

Theory after experiment on sensing mechanism of a newly developed sensor molecule: Converging or diverging?

NASA Astrophysics Data System (ADS)

Paul, Suvendu; Karar, Monaj; Das, Biswajit; Mallick, Arabinda; Majumdar, Tapas

2017-12-01

Fluoride ion sensing mechanism of 3,3‧-bis(indolyl)-4-chlorophenylmethane has been analyzed with density functional and time-dependent density functional theories. Extensive theoretical calculations on molecular geometry & energy, charge distribution, orbital energies & electronic distribution, minima on potential energy surface confirmed strong hydrogen bonded sensor-anion complex with incomplete proton transfer in S0. In S1, strong hydrogen bonding extended towards complete ESDPT. The distinct and single minima on the PES of the sensor-anion complex for both ground and first singlet excited states confirmed the concerted proton transfer mechanism. Present study well reproduced the experimental spectroscopic data and provided ESDPT as probable fluoride sensing mechanism.

Statistical tests for whether a given set of independent, identically distributed draws comes from a specified probability density.

PubMed

Tygert, Mark

2010-09-21

We discuss several tests for determining whether a given set of independent and identically distributed (i.i.d.) draws does not come from a specified probability density function. The most commonly used are Kolmogorov-Smirnov tests, particularly Kuiper's variant, which focus on discrepancies between the cumulative distribution function for the specified probability density and the empirical cumulative distribution function for the given set of i.i.d. draws. Unfortunately, variations in the probability density function often get smoothed over in the cumulative distribution function, making it difficult to detect discrepancies in regions where the probability density is small in comparison with its values in surrounding regions. We discuss tests without this deficiency, complementing the classical methods. The tests of the present paper are based on the plain fact that it is unlikely to draw a random number whose probability is small, provided that the draw is taken from the same distribution used in calculating the probability (thus, if we draw a random number whose probability is small, then we can be confident that we did not draw the number from the same distribution used in calculating the probability).

Maximum likelihood estimation for predicting the probability of obtaining variable shortleaf pine regeneration densities

Treesearch

Thomas B. Lynch; Jean Nkouka; Michael M. Huebschmann; James M. Guldin

2003-01-01

A logistic equation is the basis for a model that predicts the probability of obtaining regeneration at specified densities. The density of regeneration (trees/ha) for which an estimate of probability is desired can be specified by means of independent variables in the model. When estimating parameters, the dependent variable is set to 1 if the regeneration density (...

Electrostatic-probe measurements of plasma parameters for two reentry flight experiments at 25000 feet per second

NASA Technical Reports Server (NTRS)

Jones, W. L., Jr.; Cross, A. E.

1972-01-01

Unique plasma diagnostic measurements at high altitudes from two geometrically similar blunt body reentry spacecraft using electrostatic probe rakes are presented. The probes measured the positive ion density profiles (shape and magnitude) during the two flights. The probe measurements were made at eight discrete points (1 cm to 7 cm) from the vehicle surface in the aft flow field of the spacecraft over the altitude range of 85.3 to 53.3 km (280,000 to 175,000 ft) with measured densities of 10 to the 8th power to 10 to the 12th power electrons/cu cm, respectively. Maximum reentry velocity for each spacecraft was approximately 7620 meters/second (25,000 ft/sec). In the first flight experiment, water was periodically injected into a flow field which was contaminated by ablation products from the spacecraft nose region. The nonablative nose of the second spacecraft thereby minimized flow field contamination. Comparisons of the probe measured density profiles with theoretical calculations are presented with discussion as to the probable cause of significant disagreement. Also discussed are the correlation of probe measurements with vehicle angle of attack motions and the good high altitude agreement between electron densities inferred from the probe measurements, VHF antenna measurements, and microwave reflectometer diagnostic measurements.

Covariant Formulation of Fluid Dynamics and Estakhr's Material Geodesic Equation, far down the Rabbit hole

NASA Astrophysics Data System (ADS)

Estakhr, Ahmad Reza

2012-07-01

``When i meet God, I am going to ask him two questions, why relativity and why turbulence. A. Einstein'' You probably will not need to ask these questions of God, I've already answered both of them. U^{μ}=γ (c,u({r}, t)) denotes four-velocity field. J^ {μ}=ρ U^{μ} denotes four-current mass density. Estakhr's Material-Geodesic equation is developed analogy of Navier Stokes equation and Einstein Geodesic equation. {DJ^ {μ}}/{Dτ}={dJ^{μ}}/{D τ}+Γ^{μ}_{α β}J^{α}U^{β}=J_ {ν}Ω^{μν}+npartial_ {ν}T^{μν}+Γ^{μ} _{αβ}J^{α}U^{β} Covariant formulation of fluid dynamics, describe the motion of fluid substances. The local existence and uniqueness theorem for geodesics states that geodesics on a smooth manifold with an affine connection exist, and are unique. EMG equation is also applicable in different branches of physics, it all depend on what you mean by 4-current density, if you mean 4-current electron number density then it is plasma physics, if you mean 4-current electron charge density then it is {DJ^ {μ}}/{Dτ}=J_{ν}F^{μν} +partial_{ν}T^{μν}+ Γ^{μ}_{αβ}J^ {α}U^{β} electromagnetism.

Magnetospheric electron density measurements from upper hybrid resonance noise observed by IMP-6

NASA Technical Reports Server (NTRS)

Shaw, R. R.; Gurnett, D. A.

1972-01-01

A band of natural radio noise between the local electron plasma frequency and the upper hybrid resonance frequency is observed by the IMP-6 satellite. The band exists over a large range of geocentric radial distances extending from inside the plasmapause boundary to greater than 10 earth radii in the outer magnetosphere. The center frequency of the noise band decreases with increasing radial distance, and changes abruptly at the plasmapause boundary. The broadband electric field strength of this noise is very small, seldom exceeding 10 microvolts/meter, and probably could not be detected without using long electric antennas of IMP-6. It is believed that this noise is produced by incoherent Cerenkov emission from super-thermal electrons. In some cases a second very narrow noise band was observed at a frequency slightly above the second harmonic of the electron gyrofrequency.

Isotope analysis in the transmission electron microscope.

PubMed

Susi, Toma; Hofer, Christoph; Argentero, Giacomo; Leuthner, Gregor T; Pennycook, Timothy J; Mangler, Clemens; Meyer, Jannik C; Kotakoski, Jani

2016-10-10

The Ångström-sized probe of the scanning transmission electron microscope can visualize and collect spectra from single atoms. This can unambiguously resolve the chemical structure of materials, but not their isotopic composition. Here we differentiate between two isotopes of the same element by quantifying how likely the energetic imaging electrons are to eject atoms. First, we measure the displacement probability in graphene grown from either 12 C or 13 C and describe the process using a quantum mechanical model of lattice vibrations coupled with density functional theory simulations. We then test our spatial resolution in a mixed sample by ejecting individual atoms from nanoscale areas spanning an interface region that is far from atomically sharp, mapping the isotope concentration with a precision better than 20%. Although we use a scanning instrument, our method may be applicable to any atomic resolution transmission electron microscope and to other low-dimensional materials.

The Effect of Phonons in RbCl Quantum Pseudodot Qubits

NASA Astrophysics Data System (ADS)

Sun, Yong; Ding, Zhao-Hua; Xiao, Jing-Lin

2016-07-01

By employing the Pekar variational method, the eigenenergies and eigenfunctions of the ground and first-excited states are obtained in a strong electron-longitudinal optical (LO) phonon coupling RbCl quantum pseudodot (QPD). A single qubit can be realized in this two-level quantum system. The electron probability density (EPD) oscillates in the RbCl QPD with a certain period. The investigated results show that the EPD rises with raising the chemical potential of the two-dimensional electron gas and the zero point of the pseudoharmonic potential, whereas it decays with increasing the polaron radius. However, the oscillating period (OP) possesses precisely the opposite characteristics. Through the results and analysis above, we find three ways to adjust the EPD and the OP via changing the chemical potential of the two-dimensional electron gas, the zero point of the pseudoharmonic potential, and the polaron radius.

Anisotropic electrical conduction and reduction in dangling-bond density for polycrystalline Si films prepared by catalytic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Niikura, Chisato; Masuda, Atsushi; Matsumura, Hideki

1999-07-01

Polycrystalline Si (poly-Si) films with high crystalline fraction and low dangling-bond density were prepared by catalytic chemical vapor deposition (Cat-CVD), often called hot-wire CVD. Directional anisotropy in electrical conduction, probably due to structural anisotropy, was observed for Cat-CVD poly-Si films. A novel method to separately characterize both crystalline and amorphous phases in poly-Si films using anisotropic electrical conduction was proposed. On the basis of results obtained by the proposed method and electron spin resonance measurements, reduction in dangling-bond density for Cat-CVD poly-Si films was achieved using the condition to make the quality of the included amorphous phase high. The properties of Cat-CVD poly-Si films are found to be promising in solar-cell applications.

Series approximation to probability densities

NASA Astrophysics Data System (ADS)

Cohen, L.

2018-04-01

One of the historical and fundamental uses of the Edgeworth and Gram-Charlier series is to "correct" a Gaussian density when it is determined that the probability density under consideration has moments that do not correspond to the Gaussian [5, 6]. There is a fundamental difficulty with these methods in that if the series are truncated, then the resulting approximate density is not manifestly positive. The aim of this paper is to attempt to expand a probability density so that if it is truncated it will still be manifestly positive.

Electron-phonon relaxation and excited electron distribution in gallium nitride

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

Zhukov, V. P.; Donostia International Physics Center; Tyuterev, V. G., E-mail: valtyut00@mail.ru

2016-08-28

We develop a theory of energy relaxation in semiconductors and insulators highly excited by the long-acting external irradiation. We derive the equation for the non-equilibrium distribution function of excited electrons. The solution for this function breaks up into the sum of two contributions. The low-energy contribution is concentrated in a narrow range near the bottom of the conduction band. It has the typical form of a Fermi distribution with an effective temperature and chemical potential. The effective temperature and chemical potential in this low-energy term are determined by the intensity of carriers' generation, the speed of electron-phonon relaxation, rates ofmore » inter-band recombination, and electron capture on the defects. In addition, there is a substantial high-energy correction. This high-energy “tail” largely covers the conduction band. The shape of the high-energy “tail” strongly depends on the rate of electron-phonon relaxation but does not depend on the rates of recombination and trapping. We apply the theory to the calculation of a non-equilibrium distribution of electrons in an irradiated GaN. Probabilities of optical excitations from the valence to conduction band and electron-phonon coupling probabilities in GaN were calculated by the density functional perturbation theory. Our calculation of both parts of distribution function in gallium nitride shows that when the speed of the electron-phonon scattering is comparable with the rate of recombination and trapping then the contribution of the non-Fermi “tail” is comparable with that of the low-energy Fermi-like component. So the high-energy contribution can essentially affect the charge transport in the irradiated and highly doped semiconductors.« less

Two-body Schrödinger wave functions in a plane-wave basis via separation of dimensions

NASA Astrophysics Data System (ADS)

Jerke, Jonathan; Poirier, Bill

2018-03-01

Using a combination of ideas, the ground and several excited electronic states of the helium atom and the hydrogen molecule are computed to chemical accuracy—i.e., to within 1-2 mhartree or better. The basic strategy is very different from the standard electronic structure approach in that the full two-electron six-dimensional (6D) problem is tackled directly, rather than starting from a single-electron Hartree-Fock approximation. Electron correlation is thus treated exactly, even though computational requirements remain modest. The method also allows for exact wave functions to be computed, as well as energy levels. From the full-dimensional 6D wave functions computed here, radial distribution functions and radial correlation functions are extracted—as well as a 2D probability density function exhibiting antisymmetry for a single Cartesian component. These calculations support a more recent interpretation of Hund's rule, which states that the lower energy of the higher spin-multiplicity states is actually due to reduced screening, rather than reduced electron-electron repulsion. Prospects for larger systems and/or electron dynamics applications appear promising.

Two-body Schrödinger wave functions in a plane-wave basis via separation of dimensions.

PubMed

Jerke, Jonathan; Poirier, Bill

2018-03-14

Using a combination of ideas, the ground and several excited electronic states of the helium atom and the hydrogen molecule are computed to chemical accuracy-i.e., to within 1-2 mhartree or better. The basic strategy is very different from the standard electronic structure approach in that the full two-electron six-dimensional (6D) problem is tackled directly, rather than starting from a single-electron Hartree-Fock approximation. Electron correlation is thus treated exactly, even though computational requirements remain modest. The method also allows for exact wave functions to be computed, as well as energy levels. From the full-dimensional 6D wave functions computed here, radial distribution functions and radial correlation functions are extracted-as well as a 2D probability density function exhibiting antisymmetry for a single Cartesian component. These calculations support a more recent interpretation of Hund's rule, which states that the lower energy of the higher spin-multiplicity states is actually due to reduced screening, rather than reduced electron-electron repulsion. Prospects for larger systems and/or electron dynamics applications appear promising.

Hydrogen collisions with transition metal surfaces: Universal electronically nonadiabatic adsorption

NASA Astrophysics Data System (ADS)

Dorenkamp, Yvonne; Jiang, Hongyan; Köckert, Hansjochen; Hertl, Nils; Kammler, Marvin; Janke, Svenja M.; Kandratsenka, Alexander; Wodtke, Alec M.; Bünermann, Oliver

2018-01-01

Inelastic scattering of H and D atoms from the (111) surfaces of six fcc transition metals (Au, Pt, Ag, Pd, Cu, and Ni) was investigated, and in each case, excitation of electron-hole pairs dominates the inelasticity. The results are very similar for all six metals. Differences in the average kinetic energy losses between metals can mainly be attributed to different efficiencies in the coupling to phonons due to the different masses of the metal atoms. The experimental observations can be reproduced by molecular dynamics simulations based on full-dimensional potential energy surfaces and including electronic excitations by using electronic friction in the local density friction approximation. The determining factors for the energy loss are the electron density at the surface, which is similar for all six metals, and the mass ratio between the impinging atoms and the surface atoms. Details of the electronic structure of the metal do not play a significant role. The experimentally validated simulations are used to explore sticking over a wide range of incidence conditions. We find that the sticking probability increases for H and D collisions near normal incidence—consistent with a previously reported penetration-resurfacing mechanism. The sticking probability for H or D on any of these metals may be represented as a simple function of the incidence energy, Ein, metal atom mass, M, and incidence angle, 𝜗i n. S =(S0+a ṡEi n+b ṡM ) *(1 -h (𝜗i n-c ) (1 -cos(𝜗 i n-c ) d ṡh (Ei n-e ) (Ei n-e ) ) ) , where h is the Heaviside step function and for H, S0 = 1.081, a = -0.125 eV-1, b =-8.40 ṡ1 0-4 u-1, c = 28.88°, d = 1.166 eV-1, and e = 0.442 eV; whereas for D, S0 = 1.120, a = -0.124 eV-1, b =-1.20 ṡ1 0-3 u-1, c = 28.62°, d = 1.196 eV-1, and e = 0.474 eV.

Near Real Time Tools for ISS Plasma Science and Engineering Applications

NASA Astrophysics Data System (ADS)

Minow, J. I.; Willis, E. M.; Parker, L. N.; Shim, J.; Kuznetsova, M. M.; Pulkkinen, A. A.

2013-12-01

The International Space Station (ISS) program utilizes a plasma environment forecast for estimating electrical charging hazards for crews during extravehicular activity (EVA). The process uses ionospheric electron density and temperature measurements from the ISS Floating Potential Measurement Unit (FPMU) instrument suite with the assumption that the plasma conditions will remain constant for one to fourteen days with a low probability for a space weather event which would significantly change the environment before an EVA. FPMU data is typically not available during EVA's, therefore, the most recent FPMU data available for characterizing the state of the ionosphere during EVA is typically a day or two before the start of an EVA or after the EVA has been completed. In addition to EVA support, information on ionospheric plasma densities is often needed for support of ISS science payloads and anomaly investigations during periods when the FPMU is not operating. This presentation describes the application of space weather tools developed by MSFC using data from near real time satellite radio occultation and ground based ionosonde measurements of ionospheric electron density and a first principle ionosphere model providing electron density and temperature run in a real time mode by GSFC. These applications are used to characterize the space environment during EVA periods when FPMU data is not available, monitor for large charges in ionosphere density that could render the ionosphere forecast and plasma hazard assessment invalid, and validate the assumption of 'persistence of conditions' used in deriving the hazard forecast. In addition, the tools are used to provide space environment input to science payloads on ISS and anomaly investigations during periods the FPMU is not operating.

High-energy Electron Scattering and the Charge Distributions of Selected Nuclei

DOE R&D Accomplishments Database

Hahn, B.; Ravenhall, D. G.; Hofstadter, R.

1955-10-01

Experimental results are presented of electron scattering by Ca, V, Co, In, Sb, Hf, Ta, W, Au, Bi, Th, and U, at 183 Mev and (for some of the elements) at 153 Mev. For those nuclei for which asphericity and inelastic scattering are absent or unimportant, i.e., Ca, V, Co, In, Sb, Au, and Bi, a partial wave analysis of the Dirac equation has been performed in which the nuclei are represented by static, spherically symmetric charge distributions. Smoothed uniform charge distributions have been assumed; these are characterized by a constant charge density in the central region of the nucleus, with a smoothed-our surface. Essentially two parameters can be determined, related to the radium and to the surface thickness. An examination of the Au experiments show that the functional forms of the surface are not important, and that the charge density in the central regions is probably fairly flat, although it cannot be determined very accurately.

Bite-outs and other depletions of mesospheric electrons

PubMed Central

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

2011-01-01

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

Electronic and Spatial Structures of Water-Soluble Dinitrosyl Iron Complexes with Thiol-Containing Ligands Underlying Their Ability to Act as Nitric Oxide and Nitrosonium Ion Donors

PubMed Central

Vanin, Anatoly F.; Burbaev, Dosymzhan Sh.

2011-01-01

The ability of mononuclear dinitrosyl iron commplexes (M-DNICs) with thiolate ligands to act as NO donors and to trigger S-nitrosation of thiols can be explain only in the paradigm of the model of the [Fe+(NO+)2] core ({Fe(NO)2}7 according to the Enemark-Feltham classification). Similarly, the {(RS−)2Fe+(NO+)2}+ structure describing the distribution of unpaired electron density in M-DNIC corresponds to the low-spin (S = 1/2) state with a d7 electron configuration of the iron atom and predominant localization of the unpaired electron on MO(dz2) and the square planar structure of M-DNIC. On the other side, the formation of molecular orbitals of M-DNIC including orbitals of the iron atom, thiolate and nitrosyl ligands results in a transfer of electron density from sulfur atoms to the iron atom and nitrosyl ligands. Under these conditions, the positive charge on the nitrosyl ligands diminishes appreciably, the interaction of the ligands with hydroxyl ions or with thiols slows down and the hydrolysis of nitrosyl ligands and the S-nitrosating effect of the latter are not manifested. Most probably, the S-nitrosating effect of nitrosyl ligands is a result of weak binding of thiolate ligands to the iron atom under conditions favoring destabilization of M-DNIC. PMID:22505886

Electronic and spatial structures of water-soluble dinitrosyl iron complexes with thiol-containing ligands underlying their ability to act as nitric oxide and nitrosonium ion donors.

PubMed

Vanin, Anatoly F; Burbaev, Dosymzhan Sh

2011-01-01

The ability of mononuclear dinitrosyl iron commplexes (M-DNICs) with thiolate ligands to act as NO donors and to trigger S-nitrosation of thiols can be explain only in the paradigm of the model of the [Fe(+)(NO(+))(2)] core ({Fe(NO)(2)}(7) according to the Enemark-Feltham classification). Similarly, the {(RS(-))(2)Fe(+)(NO(+))(2)}(+) structure describing the distribution of unpaired electron density in M-DNIC corresponds to the low-spin (S = 1/2) state with a d(7) electron configuration of the iron atom and predominant localization of the unpaired electron on MO(d(z2)) and the square planar structure of M-DNIC. On the other side, the formation of molecular orbitals of M-DNIC including orbitals of the iron atom, thiolate and nitrosyl ligands results in a transfer of electron density from sulfur atoms to the iron atom and nitrosyl ligands. Under these conditions, the positive charge on the nitrosyl ligands diminishes appreciably, the interaction of the ligands with hydroxyl ions or with thiols slows down and the hydrolysis of nitrosyl ligands and the S-nitrosating effect of the latter are not manifested. Most probably, the S-nitrosating effect of nitrosyl ligands is a result of weak binding of thiolate ligands to the iron atom under conditions favoring destabilization of M-DNIC.

Expectation-Based Control of Noise and Chaos

NASA Technical Reports Server (NTRS)

Zak, Michael

2006-01-01

A proposed approach to control of noise and chaos in dynamic systems would supplement conventional methods. The approach is based on fictitious forces composed of expectations governed by Fokker-Planck or Liouville equations that describe the evolution of the probability densities of the controlled parameters. These forces would be utilized as feedback control forces that would suppress the undesired diffusion of the controlled parameters. Examples of dynamic systems in which the approach is expected to prove beneficial include spacecraft, electronic systems, and coupled lasers.

Predicting critical transitions in dynamical systems from time series using nonstationary probability density modeling.

PubMed

Kwasniok, Frank

2013-11-01

A time series analysis method for predicting the probability density of a dynamical system is proposed. A nonstationary parametric model of the probability density is estimated from data within a maximum likelihood framework and then extrapolated to forecast the future probability density and explore the system for critical transitions or tipping points. A full systematic account of parameter uncertainty is taken. The technique is generic, independent of the underlying dynamics of the system. The method is verified on simulated data and then applied to prediction of Arctic sea-ice extent.

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

NASA Astrophysics Data System (ADS)

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

2011-12-01

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

A Concise Introduction to Quantum Mechanics

NASA Astrophysics Data System (ADS)

Swanson, Mark S.

2018-02-01

Assuming a background in basic classical physics, multivariable calculus, and differential equations, A Concise Introduction to Quantum Mechanics provides a self-contained presentation of the mathematics and physics of quantum mechanics. The relevant aspects of classical mechanics and electrodynamics are reviewed, and the basic concepts of wave-particle duality are developed as a logical outgrowth of experiments involving blackbody radiation, the photoelectric effect, and electron diffraction. The Copenhagen interpretation of the wave function and its relation to the particle probability density is presented in conjunction with Fourier analysis and its generalization to function spaces. These concepts are combined to analyze the system consisting of a particle confined to a box, developing the probabilistic interpretation of observations and their associated expectation values. The Schrödinger equation is then derived by using these results and demanding both Galilean invariance of the probability density and Newtonian energy-momentum relations. The general properties of the Schrödinger equation and its solutions are analyzed, and the theory of observables is developed along with the associated Heisenberg uncertainty principle. Basic applications of wave mechanics are made to free wave packet spreading, barrier penetration, the simple harmonic oscillator, the Hydrogen atom, and an electric charge in a uniform magnetic field. In addition, Dirac notation, elements of Hilbert space theory, operator techniques, and matrix algebra are presented and used to analyze coherent states, the linear potential, two state oscillations, and electron diffraction. Applications are made to photon and electron spin and the addition of angular momentum, and direct product multiparticle states are used to formulate both the Pauli exclusion principle and quantum decoherence. The book concludes with an introduction to the rotation group and the general properties of angular momentum.

Effect of H2 binding on the nonadiabatic transition probability between singlet and triplet states of the [NiFe]-hydrogenase active site.

PubMed

Kaliakin, Danil S; Zaari, Ryan R; Varganov, Sergey A

2015-02-12

We investigate the effect of H2 binding on the spin-forbidden nonadiabatic transition probability between the lowest energy singlet and triplet electronic states of [NiFe]-hydrogenase active site model, using a velocity averaged Landau-Zener theory. Density functional and multireference perturbation theories were used to provide parameters for the Landau-Zener calculations. It was found that variation of the torsion angle between the terminal thiolate ligands around the Ni center induces an intersystem crossing between the lowest energy singlet and triplet electronic states in the bare active site and in the active site with bound H2. Potential energy curves between the singlet and triplet minima along the torsion angle and H2 binding energies to the two spin states were calculated. Upon H2 binding to the active site, there is a decrease in the torsion angle at the minimum energy crossing point between the singlet and triplet states. The probability of nonadiabatic transitions at temperatures between 270 and 370 K ranges from 35% to 32% for the active site with bound H2 and from 42% to 38% for the bare active site, thus indicating the importance of spin-forbidden nonadiabatic pathways for H2 binding on the [NiFe]-hydrogenase active site.

High-Throughput Screening of Sulfide Thermoelectric Materials Using Electron Transport Calculations with OpenMX and BoltzTraP

NASA Astrophysics Data System (ADS)

Miyata, Masanobu; Ozaki, Taisuke; Takeuchi, Tsunehiro; Nishino, Shunsuke; Inukai, Manabu; Koyano, Mikio

2018-06-01

The electron transport properties of 809 sulfides have been investigated using density functional theory (DFT) calculations in the relaxation time approximation, and a material design rule established for high-performance sulfide thermoelectric (TE) materials. Benchmark electron transport calculations were performed for Cu12Sb4S13 and Cu26V2Ge6S32, revealing that the ratio of the scattering probability of electrons and phonons ( κ lat τ el -1 ) was constant at about 2 × 1014 W K-1 m-1 s-1. The calculated thermopower S dependence of the theoretical dimensionless figure of merit ZT DFT of the 809 sulfides showed a maximum at 140 μV K-1 to 170 μV K-1. Under the assumption of constant κ lat τ el -1 of 2 × 1014 W K-1 m-1 s-1 and constant group velocity v of electrons, a slope of the density of states of 8.6 states eV-2 to 10 states eV-2 is suitable for high- ZT sulfide TE materials. The Lorenz number L dependence of ZT DFT for the 809 sulfides showed a maximum at L of approximately 2.45 × 10-8 V2 K-2. This result demonstrates that the potential of high- ZT sulfide materials is highest when the electron thermal conductivity κ el of the symmetric band is equal to that of the asymmetric band.

The precise time course of lexical activation: MEG measurements of the effects of frequency, probability, and density in lexical decision.

PubMed

Stockall, Linnaea; Stringfellow, Andrew; Marantz, Alec

2004-01-01

Visually presented letter strings consistently yield three MEG response components: the M170, associated with letter-string processing (Tarkiainen, Helenius, Hansen, Cornelissen, & Salmelin, 1999); the M250, affected by phonotactic probability, (Pylkkänen, Stringfellow, & Marantz, 2002); and the M350, responsive to lexical frequency (Embick, Hackl, Schaeffer, Kelepir, & Marantz, 2001). Pylkkänen et al. found evidence that the M350 reflects lexical activation prior to competition among phonologically similar words. We investigate the effects of lexical and sublexical frequency and neighborhood density on the M250 and M350 through orthogonal manipulation of phonotactic probability, density, and frequency. The results confirm that probability but not density affects the latency of the M250 and M350; however, an interaction between probability and density on M350 latencies suggests an earlier influence of neighborhoods than previously reported.

Preliminary report of results from the plasma science experiment on Mariner 10

NASA Technical Reports Server (NTRS)

Bridge, H. S.; Lazarus, A. J.; Ogilvie, K. W.; Scudder, J. D.; Hartle, R. E.; Asbridge, J. R.; Bame, S. J.; Feldman, W. C.; Siscoe, G. L.; Yeates, C. M.

1974-01-01

Preliminary measurements of electron number density and temperature near Venus and Mercury and some results on flow speeds are presented. It is concluded that the interaction of the solar wind with Venus probably results in a bow shock characterized by H/r = 0.01 (ratio of the ionospheric scale height to the planetocentric distance of the nose of the ionopause); an extended exosphere appears unlikely. This direct interaction is indicated by the behavior of electrons with energies of 100-500 eV. Some unusual downstream effects suggest a comet-like tail several hundred scale lengths long. Near Mercury, a fully developed bow shock and magnetosheath were observed. Inside the magnetosheath there is a region analogous to the magnetosphere of the earth and populated by electrons of lower density and temperature than those found in the solar wind. The solar wind ram pressure corresponds to a stagnation pressure equivalent to a 170 gamma magnetic field. The strong solar wind interaction with Mercury is definitely magnetic, but not ionospheric or atmospheric. Spectra and particle flux varied widely while the spaceship was within the magnetosphere itself; temporal events like substorms may be responsible.

New Possibilities of Positron-Emission Tomography

NASA Astrophysics Data System (ADS)

Volobuev, A. N.

2018-01-01

The reasons for the emergence of the angular distribution of photons generated as a result of annihilation of an electron and a positron in a positron-emission tomograph are investigated. It is shown that the angular distribution of the radiation intensity (i.e., the probability of photon emission at different angles) is a consequence of the Doppler effect in the center-of-mass reference system of the electron and the positron. In the reference frame attached to the electron, the angular distribution of the number of emitted photons does not exists but is replaced by the Doppler shift of the frequency of photons. The results obtained in this study make it possible to extend the potentialities of the positron-emission tomograph in the diagnostics of diseases and to obtain additional mechanical characteristics of human tissues, such as density and viscosity.

Conductance of three-terminal molecular bridge based on tight-binding theory

NASA Astrophysics Data System (ADS)

Wang, Li-Guang; Li, Yong; Yu, Ding-Wen; Katsunori, Tagami; Masaru, Tsukada

2005-05-01

The quantum transmission characteristic of three-benzene ring nano-molecular bridge is investigated theoretically by using Green's function approach based on tight-binding theory with only a π orbital per carbon atom at the site. The transmission probabilities that electrons transport through the molecular bridge from one terminal to the other two terminals are obtained. The electronic current distributions inside the molecular bridge are calculated and shown in graphical analogy by the current density method based on Fisher-Lee formula at the energy points E = ±0.42, ±1.06 and ±1.5, respectively, where the transmission spectra appear peaks. We find that the transmission spectra are related to the incident electronic energy and the molecular levels strongly and the current distributions agree well with Kirchhoff quantum current momentum conservation law.

Probability Distribution Extraction from TEC Estimates based on Kernel Density Estimation

NASA Astrophysics Data System (ADS)

Demir, Uygar; Toker, Cenk; Çenet, Duygu

2016-07-01

Statistical analysis of the ionosphere, specifically the Total Electron Content (TEC), may reveal important information about its temporal and spatial characteristics. One of the core metrics that express the statistical properties of a stochastic process is its Probability Density Function (pdf). Furthermore, statistical parameters such as mean, variance and kurtosis, which can be derived from the pdf, may provide information about the spatial uniformity or clustering of the electron content. For example, the variance differentiates between a quiet ionosphere and a disturbed one, whereas kurtosis differentiates between a geomagnetic storm and an earthquake. Therefore, valuable information about the state of the ionosphere (and the natural phenomena that cause the disturbance) can be obtained by looking at the statistical parameters. In the literature, there are publications which try to fit the histogram of TEC estimates to some well-known pdf.s such as Gaussian, Exponential, etc. However, constraining a histogram to fit to a function with a fixed shape will increase estimation error, and all the information extracted from such pdf will continue to contain this error. In such techniques, it is highly likely to observe some artificial characteristics in the estimated pdf which is not present in the original data. In the present study, we use the Kernel Density Estimation (KDE) technique to estimate the pdf of the TEC. KDE is a non-parametric approach which does not impose a specific form on the TEC. As a result, better pdf estimates that almost perfectly fit to the observed TEC values can be obtained as compared to the techniques mentioned above. KDE is particularly good at representing the tail probabilities, and outliers. We also calculate the mean, variance and kurtosis of the measured TEC values. The technique is applied to the ionosphere over Turkey where the TEC values are estimated from the GNSS measurement from the TNPGN-Active (Turkish National Permanent GNSS Network) network. This study is supported by by TUBITAK 115E915 and Joint TUBITAK 114E092 and AS CR14/001 projects.

Estimating loblolly pine size-density trajectories across a range of planting densities

Treesearch

Curtis L. VanderSchaaf; Harold E. Burkhart

2013-01-01

Size-density trajectories on the logarithmic (ln) scale are generally thought to consist of two major stages. The first is often referred to as the density-independent mortality stage where the probability of mortality is independent of stand density; in the second, often referred to as the density-dependent mortality or self-thinning stage, the probability of...

Combined UMC- DFT prediction of electron-hole coupling in unit cells of pentacene crystals.

PubMed

Leal, Luciano Almeida; de Souza Júnior, Rafael Timóteo; de Almeida Fonseca, Antonio Luciano; Ribeiro Junior, Luiz Antonio; Blawid, Stefan; da Silva Filho, Demetrio Antonio; da Cunha, Wiliam Ferreira

2017-05-01

Pentacene is an organic semiconductor that draws special attention from the scientific community due to the high mobility of its charge carriers. As electron-hole interactions are important aspects in the regard of such property, a computationally inexpensive method to predict the coupling between these quasi-particles is highly desired. In this work, we propose a hybrid methodology of combining Uncoupled Monte Carlo Simulations (UMC) and Density functional Theory (DFT) methodologies to obtain a good compromise between computational feasibility and accuracy. As a first step in considering a Pentacene crystal, we describe its unit cell: the Pentacene Dimer. Because many conformations can be encountered for the dimer and considering the complexity of the system, we make use of UMC in order to find the most probable structures and relative orientations for the Pentacene-Pentacene complex. Following, we carry out electronic structure calculations in the scope of DFT with the goal of describing the electron-hole coupling on the most probable configurations obtained by UMC. The comparison of our results with previously reported data on the literature suggests that the methodology is well suited for describing transfer integrals of organic semiconductors. The observed accuracy together with the smaller computational cost required by our approach allows us to conclude that such methodology might be an important tool towards the description of systems with higher complexity.

On a new scenario for the saturation of the low-threshold two-plasmon parametric decay instability of an extraordinary wave in the inhomogeneous plasma of magnetic traps

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

Gusakov, E. Z., E-mail: Evgeniy.Gusakov@mail.ioffe.ru; Popov, A. Yu., E-mail: a.popov@mail.ioffe.ru; Irzak, M. A., E-mail: irzak@mail.ioffe.ru

The most probable scenario for the saturation of the low-threshold two-plasmon parametric decay instability of an electron cyclotron extraordinary wave has been analyzed. Within this scenario two upperhybrid plasmons at frequencies close to half the pump wave frequency radially trapped in the vicinity of the local maximum of the plasma density profile are excited due to the excitation of primary instability. The primary instability saturation results from the decays of the daughter upper-hybrid waves into secondary upperhybrid waves that are also radially trapped in the vicinity of the local maximum of the plasma density profile and ion Bernstein waves.

The Effect of Incremental Changes in Phonotactic Probability and Neighborhood Density on Word Learning by Preschool Children

ERIC Educational Resources Information Center

Storkel, Holly L.; Bontempo, Daniel E.; Aschenbrenner, Andrew J.; Maekawa, Junko; Lee, Su-Yeon

2013-01-01

Purpose: Phonotactic probability or neighborhood density has predominately been defined through the use of gross distinctions (i.e., low vs. high). In the current studies, the authors examined the influence of finer changes in probability (Experiment 1) and density (Experiment 2) on word learning. Method: The authors examined the full range of…

Determination of the density of surface states at the semiconductor-insulator interface in a metal-insulator-semiconductor structure

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

Gulyamov, G., E-mail: Gulyamov1949@rambler.ru; Sharibaev, N. U.

2011-02-15

The temporal dependence of thermal generation of electrons from occupied surface states at the semiconductor-insulator interface in a metal-insulator-semiconductor structure is studied. It is established that, at low temperatures, the derivative of the probability of depopulation of occupied surface states with respect to energy is represented by the Dirac {delta} function. It is shown that the density of states of a finite number of discrete energy levels under high-temperature measurements manifests itself as a continuous spectrum, whereas this spectrum appears discrete at low temperatures. A method for processing the continuous spectrum of the density of surface states is suggested thatmore » method makes it possible to determine the discrete energy spectrum. The obtained results may be conducive to an increase in resolution of the method of non-stationary spectroscopy of surface states.« less

Statistical density modification using local pattern matching

DOEpatents

Terwilliger, Thomas C.

2007-01-23

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

Modeling of the hydrogen maser disk in MWC 349

NASA Astrophysics Data System (ADS)

Ponomarev, Victor O.; Smith, Howard A.; Strelnitski, Vladimir S.

1994-04-01

Maser amplification in a Keplerian circumstellar disk seen edge on-the idea put forward by Gordon (1992), Martin-Pintado, & Serabyn (1992), and Thum, Martin-Pintado, & Bachiller (1992) to explain the millimeter hydrogen recombination lines in MWC 349-is further justified and developed here. The double-peaked (vs. possible triple-peaked) form of the observed spectra is explained by the reduced emission from the inner portion of the disk, the portion responsible for the central ('zero velocity') component of a triple-peaked spectrum. Radial gradient of electron density and/or free-free absorption within the disk are identified as the probable causes of this central 'hole' in the disk and of its opacity. We calculate a set of synthetic maser spectra radiated by a homogeneous Keplerian ring seen edge-on and compare them to the H30-alpha observations of Thum et al., averaged over about 1000 days. We used a simple graphical procedure to solve an inverse problem and deduced the probable values of some basic disk and maser parameters. We find that the maser is essentially unsaturated, and that the most probable values of electron temperature. Doppler width of the microturbulence, and electron density, all averaged along the amplification path are, correspondingly, Te less than or equal to 11,000 K, Vmicro less than or equal to 14 km/s, ne approx. = (3 +/- 2) x 107/cu cm. The model shows that radiation at every frequency within the spectrum arises in a monochromatic 'hot spot.' The maximum optical depth within the 'hot spot' producing radiation at the spectral peak maximum is taumax approx. = 6 +/- 1; the effective width of the masing ring is approx. = 0.4-0.7 times its outer diameter; the size of the 'hot spot' responsible for the radiation at the spectral peak frequency is approx. = 0.2-0.3 times the distance between the two 'hot spots' corresponding to two peaks. An important derivation of our model is the dynamical mass of the central star, M* approx. = 26 solar masses (D/1.2 kpc), D being the distance to the star. Prospects for improving the model are discussed.

Robust location and spread measures for nonparametric probability density function estimation.

PubMed

López-Rubio, Ezequiel

2009-10-01

Robustness against outliers is a desirable property of any unsupervised learning scheme. In particular, probability density estimators benefit from incorporating this feature. A possible strategy to achieve this goal is to substitute the sample mean and the sample covariance matrix by more robust location and spread estimators. Here we use the L1-median to develop a nonparametric probability density function (PDF) estimator. We prove its most relevant properties, and we show its performance in density estimation and classification applications.

The Influence of Part-Word Phonotactic Probability/Neighborhood Density on Word Learning by Preschool Children Varying in Expressive Vocabulary

ERIC Educational Resources Information Center

Storkel, Holly L.; Hoover, Jill R.

2011-01-01

The goal of this study was to examine the influence of part-word phonotactic probability/neighborhood density on word learning by preschool children with normal vocabularies that varied in size. Ninety-eight children (age 2 ; 11-6 ; 0) were taught consonant-vowel-consonant (CVC) nonwords orthogonally varying in the probability/density of the CV…

PYFLOW_2.0: a computer program for calculating flow properties and impact parameters of past dilute pyroclastic density currents based on field data

NASA Astrophysics Data System (ADS)

Dioguardi, Fabio; Mele, Daniela

2018-03-01

This paper presents PYFLOW_2.0, a hazard tool for the calculation of the impact parameters of dilute pyroclastic density currents (DPDCs). DPDCs represent the dilute turbulent type of gravity flows that occur during explosive volcanic eruptions; their hazard is the result of their mobility and the capability to laterally impact buildings and infrastructures and to transport variable amounts of volcanic ash along the path. Starting from data coming from the analysis of deposits formed by DPDCs, PYFLOW_2.0 calculates the flow properties (e.g., velocity, bulk density, thickness) and impact parameters (dynamic pressure, deposition time) at the location of the sampled outcrop. Given the inherent uncertainties related to sampling, laboratory analyses, and modeling assumptions, the program provides ranges of variations and probability density functions of the impact parameters rather than single specific values; from these functions, the user can interrogate the program to obtain the value of the computed impact parameter at any specified exceedance probability. In this paper, the sedimentological models implemented in PYFLOW_2.0 are presented, program functionalities are briefly introduced, and two application examples are discussed so as to show the capabilities of the software in quantifying the impact of the analyzed DPDCs in terms of dynamic pressure, volcanic ash concentration, and residence time in the atmosphere. The software and user's manual are made available as a downloadable electronic supplement.

Multipactor threshold calculation of coaxial transmission lines in microwave applications with nonstationary statistical theory

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

Lin, S.; Li, Y.; Liu, C.

2015-08-15

This paper presents a statistical theory for the initial onset of multipactor breakdown in coaxial transmission lines, taking both the nonuniform electric field and random electron emission velocity into account. A general numerical method is first developed to construct the joint probability density function based on the approximate equation of the electron trajectory. The nonstationary dynamics of the multipactor process on both surfaces of coaxial lines are modelled based on the probability of various impacts and their corresponding secondary emission. The resonant assumption of the classical theory on the independent double-sided and single-sided impacts is replaced by the consideration ofmore » their interaction. As a result, the time evolutions of the electron population for exponential growth and absorption on both inner and outer conductor, in response to the applied voltage above and below the multipactor breakdown level, are obtained to investigate the exact mechanism of multipactor discharge in coaxial lines. Furthermore, the multipactor threshold predictions of the presented model are compared with experimental results using measured secondary emission yield of the tested samples which shows reasonable agreement. Finally, the detailed impact scenario reveals that single-surface multipactor is more likely to occur with a higher outer to inner conductor radius ratio.« less

Development of a tactical high-power microwave source using the Plasma Electron Microwave Source (PEMS) concept

NASA Astrophysics Data System (ADS)

Dandl, R. A.; Guest, G. E.; Jory, H. R.

1990-12-01

The AMPHED facility was used to perform feasibility experiments to explore the generation of high-power microwave pulses from energy stored in a magnetic mirror plasma. The facility uses an open-ended magnetic mirror driven by pulsed or cw c- and x-band sources. Microwave horns were constructed to couple in the frequency range of 2.4 to 4 GHz to whistler waves in the plasma. Spontaneous bursts of microwave radiation in the range of 3 to 5 GHz were observed in the experiments. But the power levels were lower than expected for the whistler wave interaction. It is probable that the hot-electron energy densities achieved were not high enough to approach the threshold of the desired interaction.

Atomistic structures of nano-engineered SiC and radiation-induced amorphization resistance

NASA Astrophysics Data System (ADS)

Imada, Kenta; Ishimaru, Manabu; Sato, Kazuhisa; Xue, Haizhou; Zhang, Yanwen; Shannon, Steven; Weber, William J.

2015-10-01

Nano-engineered 3C-SiC thin films, which possess columnar structures with high-density stacking faults and twins, were irradiated with 2 MeV Si ions at cryogenic and room temperatures. From cross-sectional transmission electron microscopy observations in combination with Monte Carlo simulations based on the Stopping and Range of Ions in Matter code, it was found that their amorphization resistance is six times greater than bulk crystalline SiC at room temperature. High-angle bright-field images taken by spherical aberration corrected scanning transmission electron microscopy revealed that the distortion of atomic configurations is localized near the stacking faults. The resultant strain field probably contributes to the enhancement of radiation tolerance of this material.

Electronic transport and Schottky barrier heights of p-type CuAlO2 Schottky diodes

NASA Astrophysics Data System (ADS)

Lin, Yow-Jon; Luo, Jie; Hung, Hao-Che

2013-05-01

A CuAlO2 Schottky diode was fabricated and investigated using current density-voltage (J-V) and capacitance-voltage (C-V) methods. It is shown that the barrier height (qϕB) determined from J-V measurements is lower than that determined from C-V measurements and qϕB determined from C-V measurements is close to the Schottky limit. This is due to a combined effect of the image-force lowering and tunneling. Time domain measurements provide evidence of the domination of electron trapping with long-second lifetime in CuAlO2. Carrier capture and emission from charge traps may lead to the increased probability of tunneling, increasing the ideality factor.

Depletion of mesospheric sodium during extended period of pulsating aurora

NASA Astrophysics Data System (ADS)

Takahashi, T.; Hosokawa, K.; Nozawa, S.; Tsuda, T. T.; Ogawa, Y.; Tsutsumi, M.; Hiraki, Y.; Fujiwara, H.; Kawahara, T. D.; Saito, N.; Wada, S.; Kawabata, T.; Hall, C.

2017-01-01

We quantitatively evaluated the Na density depletion due to charge transfer reactions between Na atoms and molecular ions produced by high-energy electron precipitation during a pulsating aurora (PsA). An extended period of PsA was captured by an all-sky camera at the European Incoherent Scatter (EISCAT) radar Tromsø site (69.6°N, 19.2°E) during a 2 h interval from 00:00 to 02:00 UT on 25 January 2012. During this period, using the EISCAT very high frequency (VHF) radar, we detected three intervals of intense ionization below 100 km that were probably caused by precipitation of high-energy electrons during the PsA. In these intervals, the sodium lidar at Tromsø observed characteristic depletion of Na density at altitudes between 97 and 100 km. These Na density depletions lasted for 8 min and represented 5-8% of the background Na layer. To examine the cause of this depletion, we modeled the depletion rate based on charge transfer reactions with NO+ and O2+ while changing the R value which is defined as the ratio of NO+ to O2+ densities, from 1 to 10. The correlation coefficients between observed and modeled Na density depletion calculated with typical value R = 3 for time intervals T1, T2, and T3 were 0.66, 0.80, and 0.67, respectively. The observed Na density depletion rates fall within the range of modeled depletion rate calculated with R from 1 to 10. This suggests that the charge transfer reactions triggered by the auroral impact ionization at low altitudes are the predominant process responsible for Na density depletion during PsA intervals.

A wave function for stock market returns

NASA Astrophysics Data System (ADS)

Ataullah, Ali; Davidson, Ian; Tippett, Mark

2009-02-01

The instantaneous return on the Financial Times-Stock Exchange (FTSE) All Share Index is viewed as a frictionless particle moving in a one-dimensional square well but where there is a non-trivial probability of the particle tunneling into the well’s retaining walls. Our analysis demonstrates how the complementarity principle from quantum mechanics applies to stock market prices and of how the wave function presented by it leads to a probability density which exhibits strong compatibility with returns earned on the FTSE All Share Index. In particular, our analysis shows that the probability density for stock market returns is highly leptokurtic with slight (though not significant) negative skewness. Moreover, the moments of the probability density determined under the complementarity principle employed here are all convergent - in contrast to many of the probability density functions on which the received theory of finance is based.

MAVEN in situ measurements of photochemical escape of oxygen from Mars

NASA Astrophysics Data System (ADS)

Lillis, Robert; Deighan, Justin; Fox, Jane; Bougher, Stephen; Lee, Yuni; Cravens, Thomas; Rahmati, Ali; Mahaffy, Paul; Benna, Mehdi; Groller, Hannes; Jakosky, Bruce

2016-04-01

One of the primary goals of the MAVEN mission is to characterize rates of atmospheric escape from Mars at the present epoch and relate those escape rates to solar drivers. One of the known escape processes is photochemical escape, where a) an exothermic chemical reaction in the atmosphere results in an upward-traveling neutral particle whose velocity exceeds planetary escape velocity and b) the particle is not prevented from escaping through subsequent collisions. At Mars, photochemical escape of oxygen is expected to be a significant channel for atmospheric escape, particularly in the early solar system when extreme ultraviolet (EUV) fluxes were much higher. Thus characterizing this escape process and its variability with solar drivers is central to understanding the role escape to space has played in Mars' climate evolution. We use near-periapsis (<400 km altitude) data from three MAVEN instruments: the Langmuir Probe and Waves (LPW) instrument measures electron density and temperature, the Suprathermal And Thermal Ion Composition (STATIC) experiment measures ion temperature and the Neutral Gas and Ion Mass Spectrometer (NGIMS) measures neutral and ion densities. For each profile of in situ measurements, we make several calculations, each as a function of altitude. The first uses electron and temperatures and simulates the dissociative recombination of both O2+ and CO2+ to calculate the probability distribution for the initial energies of the resulting hot oxygen atoms. The second is a Monte Carlo hot atom transport model that takes that distribution of initial O energies and the measured neutral density profiles and calculates the probability that a hot atom born at that altitude will escape. The third takes the measured electron and ion densities and electron temperatures and calculates the production rate of hot O atoms. We then multiply together the profiles of hot atom production and escape probability to get profiles of the production rate of escaping atoms. We integrate with respect to altitude to give us the escape flux of hot oxygen atoms for that periapsis pass. We have sufficient coverage in solar zenith angle (SZA) to estimate total escape rates for two intervals with the obvious assumption that escape rates are the same at all points with the same SZA. We estimate total escape rates of 3.5-5.8 x 1025 s-1 for Ls = 289° to 319° and 1.6-2.6 x 1025 s-1 for Ls = 326° to 348°. The latter is the most directly comparable to previous model-based estimates and is roughly in line with several of them. Total photochemical loss over Mars history is not very useful to calculate from such escape fluxes derived over a limited area and under limited conditions. A thicker atmosphere and much higher solar EUV in the past may change the dynamics of escape dramatically. In the future, we intend to use 3-D Monte Carlo models of global atmospheric escape, in concert with our in situ and remote measurements, to fully characterize photochemical escape under current conditions and carefully extrapolate back in time using further simulations with new boundary conditions.

Femtosecond-laser induced dynamics of CO on Ru(0001): Deep insights from a hot-electron friction model including surface motion

NASA Astrophysics Data System (ADS)

Scholz, Robert; Floß, Gereon; Saalfrank, Peter; Füchsel, Gernot; Lončarić, Ivor; Juaristi, J. I.

2016-10-01

A Langevin model accounting for all six molecular degrees of freedom is applied to femtosecond-laser induced, hot-electron driven dynamics of Ru(0001)(2 ×2 ):CO. In our molecular dynamics with electronic friction approach, a recently developed potential energy surface based on gradient-corrected density functional theory accounting for van der Waals interactions is adopted. Electronic friction due to the coupling of molecular degrees of freedom to electron-hole pairs in the metal are included via a local density friction approximation, and surface phonons by a generalized Langevin oscillator model. The action of ultrashort laser pulses enters through a substrate-mediated, hot-electron mechanism via a time-dependent electronic temperature (derived from a two-temperature model), causing random forces acting on the molecule. The model is applied to laser induced lateral diffusion of CO on the surface, "hot adsorbate" formation, and laser induced desorption. Reaction probabilities are strongly enhanced compared to purely thermal processes, both for diffusion and desorption. Reaction yields depend in a characteristic (nonlinear) fashion on the applied laser fluence, as well as branching ratios for various reaction channels. Computed two-pulse correlation traces for desorption and other indicators suggest that aside from electron-hole pairs, phonons play a non-negligible role for laser induced dynamics in this system, acting on a surprisingly short time scale. Our simulations on precomputed potentials allow for good statistics and the treatment of long-time dynamics (300 ps), giving insight into this system which hitherto has not been reached. We find generally good agreement with experimental data where available and make predictions in addition. A recently proposed laser induced population of physisorbed precursor states could not be observed with the present low-coverage model.

The Effects of Phonotactic Probability and Neighborhood Density on Adults' Word Learning in Noisy Conditions

PubMed Central

Storkel, Holly L.; Lee, Jaehoon; Cox, Casey

2016-01-01

Purpose Noisy conditions make auditory processing difficult. This study explores whether noisy conditions influence the effects of phonotactic probability (the likelihood of occurrence of a sound sequence) and neighborhood density (phonological similarity among words) on adults' word learning. Method Fifty-eight adults learned nonwords varying in phonotactic probability and neighborhood density in either an unfavorable (0-dB signal-to-noise ratio [SNR]) or a favorable (+8-dB SNR) listening condition. Word learning was assessed using a picture naming task by scoring the proportion of phonemes named correctly. Results The unfavorable 0-dB SNR condition showed a significant interaction between phonotactic probability and neighborhood density in the absence of main effects. In particular, adults learned more words when phonotactic probability and neighborhood density were both low or both high. The +8-dB SNR condition did not show this interaction. These results are inconsistent with those from a prior adult word learning study conducted under quiet listening conditions that showed main effects of word characteristics. Conclusions As the listening condition worsens, adult word learning benefits from a convergence of phonotactic probability and neighborhood density. Clinical implications are discussed for potential populations who experience difficulty with auditory perception or processing, making them more vulnerable to noise. PMID:27788276

The Effects of Phonotactic Probability and Neighborhood Density on Adults' Word Learning in Noisy Conditions.

PubMed

Han, Min Kyung; Storkel, Holly L; Lee, Jaehoon; Cox, Casey

2016-11-01

Noisy conditions make auditory processing difficult. This study explores whether noisy conditions influence the effects of phonotactic probability (the likelihood of occurrence of a sound sequence) and neighborhood density (phonological similarity among words) on adults' word learning. Fifty-eight adults learned nonwords varying in phonotactic probability and neighborhood density in either an unfavorable (0-dB signal-to-noise ratio [SNR]) or a favorable (+8-dB SNR) listening condition. Word learning was assessed using a picture naming task by scoring the proportion of phonemes named correctly. The unfavorable 0-dB SNR condition showed a significant interaction between phonotactic probability and neighborhood density in the absence of main effects. In particular, adults learned more words when phonotactic probability and neighborhood density were both low or both high. The +8-dB SNR condition did not show this interaction. These results are inconsistent with those from a prior adult word learning study conducted under quiet listening conditions that showed main effects of word characteristics. As the listening condition worsens, adult word learning benefits from a convergence of phonotactic probability and neighborhood density. Clinical implications are discussed for potential populations who experience difficulty with auditory perception or processing, making them more vulnerable to noise.

Study of the Effect of Solar Flares and the Solar Position on the NRK - Algiers VLF Signal Path

NASA Astrophysics Data System (ADS)

Bouderba, Yasmina; Tribeche, Mouloud; Amor Samir, Nait

X-ray and UV radiations emitted from the sun during solar flares, may cause enhancement of the ionization in the lower ionosphere. To study the effect of solar flares and their occurrence in the daytime on the D layer of the ionosphere (60-90 Km), we used Very Low Frequency (VLF) data of the NRK-ALG GCP (NRK: 63.85 N, 22.45 W, 37.5 KHz; Algiers: 36.16 N, 3.13 E; Distance: 3495 Km). Since any ionospheric electron density change, VLF signal perturbations in both of amplitude (ΔA) and phase (Δϕ) are measured. However, from the measured ΔA and Δϕ, the ionospheric parameters: H’ (the reflecting height in Km) and β (the increasing conductivity in Km-1) are then deduced using the Long wave probability code (LWPC). The results show that the signal perturbations parameters (ΔA and Δϕ) increased with the X-ray flux. Thus, as a function of the solar flux, H’ decreases to lower altitudes, but B increases up to a saturation value. From the H’ and β parameters, the electron density enhancement is then deduced. In addition to the experimental results, a numerical simulation of the D region disturbances due to solar flares was developed. Therefore, a comparison between the experimentally measured electron density and numerically determined is done as function of the solar flux and the solar zenith angle.

New method of computing the contributions of graphs without lepton loops to the electron anomalous magnetic moment in QED

NASA Astrophysics Data System (ADS)

Volkov, Sergey

2017-11-01

This paper presents a new method of numerical computation of the mass-independent QED contributions to the electron anomalous magnetic moment which arise from Feynman graphs without closed electron loops. The method is based on a forestlike subtraction formula that removes all ultraviolet and infrared divergences in each Feynman graph before integration in Feynman-parametric space. The integration is performed by an importance sampling Monte-Carlo algorithm with the probability density function that is constructed for each Feynman graph individually. The method is fully automated at any order of the perturbation series. The results of applying the method to 2-loop, 3-loop, 4-loop Feynman graphs, and to some individual 5-loop graphs are presented, as well as the comparison of this method with other ones with respect to Monte Carlo convergence speed.

Independent control of electrical and heat conduction by nanostructure designing for Si-based thermoelectric materials

PubMed Central

Yamasaka, Shuto; Watanabe, Kentaro; Sakane, Shunya; Takeuchi, Shotaro; Sakai, Akira; Sawano, Kentarou; Nakamura, Yoshiaki

2016-01-01

The high electrical and drastically-low thermal conductivities, a vital goal for high performance thermoelectric (TE) materials, are achieved in Si-based nanoarchitecture composed of Si channel layers and epitaxial Ge nanodots (NDs) with ultrahigh areal density (~1012 cm−2). In this nanoarchitecture, the ultrasmall NDs and Si channel layers play roles of phonon scattering sources and electrical conduction channels, respectively. Electron conductivity in n-type nanoacrhitecture shows high values comparable to those of epitaxial Si films despite the existence of epitaxial NDs. This is because Ge NDs mainly scattered not electrons but phonons selectively, which could be attributed to the small conduction band offset at the epitaxially-grown Si/Ge interface and high transmission probability through stacking faults. These results demonstrate an independent control of thermal and electrical conduction for phonon-glass electron-crystal TE materials by nanostructure designing and the energetic and structural interface control. PMID:26973092

Radio emission from AM Herculis - The quiescent component and an outburst

NASA Technical Reports Server (NTRS)

Dulk, G. A.; Bastian, T. S.; Chanmugam, G.

1983-01-01

The VLA has been used to search for radio emission from the AM Her-type binaries VV Pup, EF Eri, PG 1550 + 191, CW 1103 + 354, and AN UMa, at 4.9 GHz. A remarkable 10-min outburst was detected from AM Her at 4.9 GHz, which was about 20 times more intense than the quiescent emission and was essentially 100 percent circularly polarized. It is suggested that the quiescent emission of AM Her can be accounted for by 500-keV electrons trapped in the magnetosphere of the white dwarf, provided that the electron energy spectrum is quite hard and that the spectral hardness or number density of energetic electrons increases with radius, while the outburst is probably due to an electron-cyclotron maser operating near the surface of the red dwarf companion. The implied existence of a 1000-gauss localized magnetic field and a corona on the red dwarf has consequences for mass transfer, field line interactions, and variable activity.

Shannon entropy and avoided crossings in closed and open quantum billiards

NASA Astrophysics Data System (ADS)

Park, Kyu-Won; Moon, Songky; Shin, Younghoon; Kim, Jinuk; Jeong, Kabgyun; An, Kyungwon

2018-06-01

The relation between Shannon entropy and avoided crossings is investigated in dielectric microcavities. The Shannon entropy of the probability density for eigenfunctions in an open elliptic billiard as well as a closed quadrupole billiard increases as the center of the avoided crossing is approached. These results are opposite to those of atomic physics for electrons. It is found that the collective Lamb shift of the open quantum system and the symmetry breaking in the closed chaotic quantum system have equivalent effects on the Shannon entropy.

Hyperons in the nuclear pasta phase

NASA Astrophysics Data System (ADS)

Menezes, Débora P.; Providência, Constança

2017-10-01

We have investigated under which conditions hyperons (particularly Λ s and Σ-s ) can be found in the nuclear pasta phase. As the density and temperature are larger and the electron fraction is smaller, the probability is greater that these particles appear, but always in very small amounts. Λ hyperons only occur in gas and in smaller amounts than would occur if matter were homogeneous, never with abundancies above 10-5. The amount of Σ- in the gas is at least two orders of magnitude smaller and can be disregarded in practical calculations.

High Discharge Energy Density at Low Electric Field Using an Aligned Titanium Dioxide/Lead Zirconate Titanate Nanowire Array.

PubMed

Zhang, Dou; Liu, Weiwei; Guo, Ru; Zhou, Kechao; Luo, Hang

2018-02-01

Polymer-based capacitors with high energy density have attracted significant attention in recent years due to their wide range of potential applications in electronic devices. However, the obtained high energy density is predominantly dependent on high applied electric field, e.g., 400-600 kV mm -1 , which may bring more challenges relating to the failure probability. Here, a simple two-step method for synthesizing titanium dioxide/lead zirconate titanate nanowire arrays is exploited and a demonstration of their ability to achieve high discharge energy density capacitors for low operating voltage applications is provided. A high discharge energy density of 6.9 J cm -3 is achieved at low electric fields, i.e., 143 kV mm -1 , which is attributed to the high relative permittivity of 218.9 at 1 kHz and high polarization of 23.35 µC cm -2 at this electric field. The discharge energy density obtained in this work is the highest known for a ceramic/polymer nanocomposite at such a low electric field. The novel nanowire arrays used in this work are applicable to a wide range of fields, such as energy harvesting, energy storage, and photocatalysis.

Probability function of breaking-limited surface elevation. [wind generated waves of ocean

NASA Technical Reports Server (NTRS)

Tung, C. C.; Huang, N. E.; Yuan, Y.; Long, S. R.

1989-01-01

The effect of wave breaking on the probability function of surface elevation is examined. The surface elevation limited by wave breaking zeta sub b(t) is first related to the original wave elevation zeta(t) and its second derivative. An approximate, second-order, nonlinear, non-Gaussian model for zeta(t) of arbitrary but moderate bandwidth is presented, and an expression for the probability density function zeta sub b(t) is derived. The results show clearly that the effect of wave breaking on the probability density function of surface elevation is to introduce a secondary hump on the positive side of the probability density function, a phenomenon also observed in wind wave tank experiments.

Norbornane: An investigation into its valence electronic structure using electron momentum spectroscopy, and density functional and Green's function theories

NASA Astrophysics Data System (ADS)

Knippenberg, S.; Nixon, K. L.; Brunger, M. J.; Maddern, T.; Campbell, L.; Trout, N.; Wang, F.; Newell, W. R.; Deleuze, M. S.; Francois, J.-P.; Winkler, D. A.

2004-12-01

We report on the results of an exhaustive study of the valence electronic structure of norbornane (C7H12), up to binding energies of 29 eV. Experimental electron momentum spectroscopy and theoretical Green's function and density functional theory approaches were all utilized in this investigation. A stringent comparison between the electron momentum spectroscopy and theoretical orbital momentum distributions found that, among all the tested models, the combination of the Becke-Perdew functional and a polarized valence basis set of triple-ζ quality provides the best representation of the electron momentum distributions for all of the 20 valence orbitals of norbornane. This experimentally validated quantum chemistry model was then used to extract some chemically important properties of norbornane. When these calculated properties are compared to corresponding results from other independent measurements, generally good agreement is found. Green's function calculations with the aid of the third-order algebraic diagrammatic construction scheme indicate that the orbital picture of ionization breaks down at binding energies larger than 22.5 eV. Despite this complication, they enable insights within 0.2 eV accuracy into the available ultraviolet photoemission and newly presented (e,2e) ionization spectra, except for the band associated with the 1a2-1 one-hole state, which is probably subject to rather significant vibronic coupling effects, and a band at ˜25 eV characterized by a momentum distribution of "s-type" symmetry, which Green's function calculations fail to reproduce. We note the vicinity of the vertical double ionization threshold at ˜26 eV.

High throughput nonparametric probability density estimation.

PubMed

Farmer, Jenny; Jacobs, Donald

2018-01-01

In high throughput applications, such as those found in bioinformatics and finance, it is important to determine accurate probability distribution functions despite only minimal information about data characteristics, and without using human subjectivity. Such an automated process for univariate data is implemented to achieve this goal by merging the maximum entropy method with single order statistics and maximum likelihood. The only required properties of the random variables are that they are continuous and that they are, or can be approximated as, independent and identically distributed. A quasi-log-likelihood function based on single order statistics for sampled uniform random data is used to empirically construct a sample size invariant universal scoring function. Then a probability density estimate is determined by iteratively improving trial cumulative distribution functions, where better estimates are quantified by the scoring function that identifies atypical fluctuations. This criterion resists under and over fitting data as an alternative to employing the Bayesian or Akaike information criterion. Multiple estimates for the probability density reflect uncertainties due to statistical fluctuations in random samples. Scaled quantile residual plots are also introduced as an effective diagnostic to visualize the quality of the estimated probability densities. Benchmark tests show that estimates for the probability density function (PDF) converge to the true PDF as sample size increases on particularly difficult test probability densities that include cases with discontinuities, multi-resolution scales, heavy tails, and singularities. These results indicate the method has general applicability for high throughput statistical inference.

High throughput nonparametric probability density estimation

PubMed Central

Farmer, Jenny

2018-01-01

In high throughput applications, such as those found in bioinformatics and finance, it is important to determine accurate probability distribution functions despite only minimal information about data characteristics, and without using human subjectivity. Such an automated process for univariate data is implemented to achieve this goal by merging the maximum entropy method with single order statistics and maximum likelihood. The only required properties of the random variables are that they are continuous and that they are, or can be approximated as, independent and identically distributed. A quasi-log-likelihood function based on single order statistics for sampled uniform random data is used to empirically construct a sample size invariant universal scoring function. Then a probability density estimate is determined by iteratively improving trial cumulative distribution functions, where better estimates are quantified by the scoring function that identifies atypical fluctuations. This criterion resists under and over fitting data as an alternative to employing the Bayesian or Akaike information criterion. Multiple estimates for the probability density reflect uncertainties due to statistical fluctuations in random samples. Scaled quantile residual plots are also introduced as an effective diagnostic to visualize the quality of the estimated probability densities. Benchmark tests show that estimates for the probability density function (PDF) converge to the true PDF as sample size increases on particularly difficult test probability densities that include cases with discontinuities, multi-resolution scales, heavy tails, and singularities. These results indicate the method has general applicability for high throughput statistical inference. PMID:29750803

Moments of the Particle Phase-Space Density at Freeze-out and Coincidence Probabilities

NASA Astrophysics Data System (ADS)

Bialas, A.; Czyż, W.; Zalewski, K.

2005-10-01

It is pointed out that the moments of phase-space particle density at freeze-out can be determined from the coincidence probabilities of the events observed in multiparticle production. A method to measure the coincidence probabilities is described and its validity examined.

Use of uninformative priors to initialize state estimation for dynamical systems

NASA Astrophysics Data System (ADS)

Worthy, Johnny L.; Holzinger, Marcus J.

2017-10-01

The admissible region must be expressed probabilistically in order to be used in Bayesian estimation schemes. When treated as a probability density function (PDF), a uniform admissible region can be shown to have non-uniform probability density after a transformation. An alternative approach can be used to express the admissible region probabilistically according to the Principle of Transformation Groups. This paper uses a fundamental multivariate probability transformation theorem to show that regardless of which state space an admissible region is expressed in, the probability density must remain the same under the Principle of Transformation Groups. The admissible region can be shown to be analogous to an uninformative prior with a probability density that remains constant under reparameterization. This paper introduces requirements on how these uninformative priors may be transformed and used for state estimation and the difference in results when initializing an estimation scheme via a traditional transformation versus the alternative approach.

Homogenization limit for a multiband effective mass model in heterostructures

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

Morandi, O., E-mail: morandi@ipcms.unistra.fr

We study the homogenization limit of a multiband model that describes the quantum mechanical motion of an electron in a quasi-periodic crystal. In this approach, the distance among the atoms that constitute the material (lattice parameter) is considered a small quantity. Our model include the description of materials with variable chemical composition, intergrowth compounds, and heterostructures. We derive the effective multiband evolution system in the framework of the kp approach. We study the well posedness of the mathematical problem. We compare the effective mass model with the standard kp models for uniform and non-uniforms crystals. We show that in themore » limit of vanishing lattice parameter, the particle density obtained by the effective mass model, converges to the exact probability density of the particle.« less

Magnetoreresistance of carbon nanotube-polypyrrole composite yarns

NASA Astrophysics Data System (ADS)

Ghanbari, R.; Ghorbani, S. R.; Arabi, H.; Foroughi, J.

2018-05-01

Three types of samples, carbon nanotube yarn and carbon nanotube-polypyrrole composite yarns had been investigated by measurement of the electrical conductivity as a function of temperature and magnetic field. The conductivity was well explained by 3D Mott variable range hopping (VRH) law at T < 100 K. Both positive and negative magnetoresistance (MR) were observed by increasing magnetic field. The MR data were analyzed based a theoretical model. A quadratic positive and negative MR was observed for three samples. It was found that the localization length decreases with applied magnetic field while the density of states increases. The increasing of the density of states induces increasing the number of available energy states for hopping. Thus the electron hopping probability increases in between sites with the shorter distance that results to small the average hopping length.

The influence of synaptic size on AMPA receptor activation: a Monte Carlo model.

PubMed

Montes, Jesus; Peña, Jose M; DeFelipe, Javier; Herreras, Oscar; Merchan-Perez, Angel

2015-01-01

Physiological and electron microscope studies have shown that synapses are functionally and morphologically heterogeneous and that variations in size of synaptic junctions are related to characteristics such as release probability and density of postsynaptic AMPA receptors. The present article focuses on how these morphological variations impact synaptic transmission. We based our study on Monte Carlo computational simulations of simplified model synapses whose morphological features have been extracted from hundreds of actual synaptic junctions reconstructed by three-dimensional electron microscopy. We have examined the effects that parameters such as synaptic size or density of AMPA receptors have on the number of receptors that open after release of a single synaptic vesicle. Our results indicate that the maximum number of receptors that will open after the release of a single synaptic vesicle may show a ten-fold variation in the whole population of synapses. When individual synapses are considered, there is also a stochastical variability that is maximal in small synapses with low numbers of receptors. The number of postsynaptic receptors and the size of the synaptic junction are the most influential parameters, while the packing density of receptors or the concentration of extrasynaptic transporters have little or no influence on the opening of AMPA receptors.

The Influence of Synaptic Size on AMPA Receptor Activation: A Monte Carlo Model

PubMed Central

Montes, Jesus; Peña, Jose M.; DeFelipe, Javier; Herreras, Oscar; Merchan-Perez, Angel

2015-01-01

Physiological and electron microscope studies have shown that synapses are functionally and morphologically heterogeneous and that variations in size of synaptic junctions are related to characteristics such as release probability and density of postsynaptic AMPA receptors. The present article focuses on how these morphological variations impact synaptic transmission. We based our study on Monte Carlo computational simulations of simplified model synapses whose morphological features have been extracted from hundreds of actual synaptic junctions reconstructed by three-dimensional electron microscopy. We have examined the effects that parameters such as synaptic size or density of AMPA receptors have on the number of receptors that open after release of a single synaptic vesicle. Our results indicate that the maximum number of receptors that will open after the release of a single synaptic vesicle may show a ten-fold variation in the whole population of synapses. When individual synapses are considered, there is also a stochastical variability that is maximal in small synapses with low numbers of receptors. The number of postsynaptic receptors and the size of the synaptic junction are the most influential parameters, while the packing density of receptors or the concentration of extrasynaptic transporters have little or no influence on the opening of AMPA receptors. PMID:26107874

The structural, electronic and spectroscopic properties of 4FPBAPE molecule: Experimental and theoretical study

NASA Astrophysics Data System (ADS)

Tanış, Emine; Babur Sas, Emine; Kurban, Mustafa; Kurt, Mustafa

2018-02-01

The experimental and theoretical study of 4-Formyl Phenyl Boronic Acid Pinacol Ester (4FPBAPE) molecule were performed in this work. 1H, 13C NMR and UV-Vis spectra were tested in dimethyl sulfoxide (DMSO). The structural, spectroscopic properties and energies of 4FPBAPE were obtained for two potential conformers from density functional theory (DFT) with B3LYP/6-311G (d, p) and CAM-B3LYP/6-311G (d, p) basis sets. The optimal geometry of those structures was obtained according to the position of oxygen atom upon determining the scan coordinates for each conformation. The most stable conformer was found as the A2 form. The fundamental vibrations were determined based on optimized structure in terms of total energy distribution. Electronic properties such as oscillator strength, wavelength, excitation energy, HOMO, LUMO and molecular electrostatic potential and structural properties such as radial distribution functions (RDF) and probability density depending on coordination number are presented. Theoretical results of 4-FPBAPE spectra were found to be compatible with observed spectra.

Identification of the spatial location of deep trap states in AlGaN/GaN heterostructures by surface photovoltage spectroscopy

NASA Astrophysics Data System (ADS)

Jana, Dipankar; Porwal, S.; Sharma, T. K.

2017-12-01

Spatial and spectral origin of deep level defects in molecular beam epitaxy grown AlGaN/GaN heterostructures are investigated by using surface photovoltage spectroscopy (SPS) and pump-probe SPS techniques. A deep trap center ∼1 eV above the valence band is observed in SPS measurements which is correlated with the yellow luminescence feature in GaN. Capture of electrons and holes is resolved by performing temperature dependent SPS and pump-probe SPS measurements. It is found that the deep trap states are distributed throughout the sample while their dominance in SPS spectra depends on the density, occupation probability of deep trap states and the background electron density of GaN channel layer. Dynamics of deep trap states associated with GaN channel layer is investigated by performing frequency dependent photoluminescence (PL) and SPS measurements. A time constant of few millisecond is estimated for the deep defects which might limit the dynamic performance of AlGaN/GaN based devices.

Effects of E × B drift on electron transport across the magnetic field in a miniature microwave discharge neutralizer

NASA Astrophysics Data System (ADS)

Hiramoto, Kenta; Nakagawa, Yuichi; Koizumi, Hiroyuki; Takao, Yoshinori

2017-06-01

Using a three-dimensional particle-in-cell model, electron transport across a magnetic field has been investigated by obtaining the time-varying electric field and plasma parameters in a miniature microwave discharge neutralizer. The size of the neutralizer is 20 × 20 × 4 mm3. Ring-shaped antenna producing 4.2 GHz microwaves and permanent magnets for xenon plasma discharges are present inside. There are four orifices for electron extraction. The simulation area consists of both the discharge chamber and the vacuum region for the extraction. The numerical results show that radial striped patterns occur where the peak electron density is obtained, and the patterns seem to rotate in the azimuthal direction. This characteristic structure is very similar to recent results obtained in Hall thrusters and is probably due to the electron drift instability. Owing to the plasma structure, the azimuthal electric field is generated, which results in the E × B drift velocity in the axial direction with the radial magnetic field of the permanent magnets. This E × B drift velocity is a key factor in the electron transport across the magnetic field, leading to the electron extraction from the discharge chamber.

Photochemical escape of oxygen from Mars: constraints from MAVEN in situ measurements

NASA Astrophysics Data System (ADS)

Lillis, R. J.; Deighan, J.; Fox, J. L.; Bougher, S. W.; Lee, Y.; Cravens, T.; Rahmati, A.; Mahaffy, P. R.; Andersson, L.; Combi, M. R.; Benna, M.; Jakosky, B. M.; Gröller, H.

2016-12-01

One of the primary goals of the MAVEN mission is to characterize rates of atmospheric escape from Mars at the present epoch and relate those escape rates to solar drivers. Photochemical escape of oxygen is expected to be a significant channel for atmospheric loss, particularly in the early solar system when extreme ultraviolet (EUV) fluxes were much higher. We use near-periapsis (<400 km altitude) data from three instruments. The Langmuir Probe and Waves (LPW) instrument measures electron density and temperature, the Suprathermal And Thermal Ion Composition (STATIC) experiment measures ion temperature and the Neutral Gas and Ion Mass Spectrometer (NGIMS) measures neutral and ion densities. For each profile of in situ measurements, we make a series of calculations, each as a function of altitude. The first uses electron and ion temperatures to calculate the probability distribution for initial energies of hot O atoms. The second calculates the probability that a hot atom born at that altitude will escape. The third takes calculates the production rate of the hot O atoms. We then multiply together the profiles of hot atom production and escape probability to get profiles of the production rate of escaping atoms. We integrate with respect to altitude to give us the escape flux of hot oxygen atoms for that periapsis pass. We will present escape fluxes and derived escape rates from the first Mars year of data collected. Total photochemical loss over time is not very useful to calculate from such escape fluxes derived from current conditions because a thicker atmosphere and much higher solar EUV in the past may change the dynamics of escape dramatically. In the future, we intend to use 3-D Monte Carlo models of global atmospheric escape, in concert with our in situ and remote measurements, to fully characterize photochemical escape under current conditions and carefully extrapolate back in time using further simulations with new boundary conditions.

Bayesian ionospheric multi-instrument 3D tomography

NASA Astrophysics Data System (ADS)

Norberg, Johannes; Vierinen, Juha; Roininen, Lassi

2017-04-01

The tomographic reconstruction of ionospheric electron densities is an inverse problem that cannot be solved without relatively strong regularising additional information. % Especially the vertical electron density profile is determined predominantly by the regularisation. % %Often utilised regularisations in ionospheric tomography include smoothness constraints and iterative methods with initial ionospheric models. % Despite its crucial role, the regularisation is often hidden in the algorithm as a numerical procedure without physical understanding. % % The Bayesian methodology provides an interpretative approach for the problem, as the regularisation can be given in a physically meaningful and quantifiable prior probability distribution. % The prior distribution can be based on ionospheric physics, other available ionospheric measurements and their statistics. % Updating the prior with measurements results as the posterior distribution that carries all the available information combined. % From the posterior distribution, the most probable state of the ionosphere can then be solved with the corresponding probability intervals. % Altogether, the Bayesian methodology provides understanding on how strong the given regularisation is, what is the information gained with the measurements and how reliable the final result is. % In addition, the combination of different measurements and temporal development can be taken into account in a very intuitive way. However, a direct implementation of the Bayesian approach requires inversion of large covariance matrices resulting in computational infeasibility. % In the presented method, Gaussian Markov random fields are used to form a sparse matrix approximations for the covariances. % The approach makes the problem computationally feasible while retaining the probabilistic and physical interpretation. Here, the Bayesian method with Gaussian Markov random fields is applied for ionospheric 3D tomography over Northern Europe. % Multi-instrument measurements are utilised from TomoScand receiver network for Low Earth orbit beacon satellite signals, GNSS receiver networks, as well as from EISCAT ionosondes and incoherent scatter radars. % %The performance is demonstrated in three-dimensional spatial domain with temporal development also taken into account.

Exploration of momentum evolution and three-dimensional localization in recombined electron wave packets

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

Zeibel, J. G.; Jones, R. R.

2003-08-01

Picosecond ''half-cycle'' pulses (HCPs) have been used to produce electronic wave packets by recombining photoelectrons with their parent ions. The time-dependent momentum distributions of the bound wave packets are probed using a second HCP and the impulsive momentum retrieval (IMR) method. For a given delay between the initial photoionization event and the HCP recombination, classical trajectory simulations predict pronounced periodic wave packet motion for a restricted range of recombining HCP amplitudes. This motion is characterized by the repeated formation and collapse of a highly localized spike in the three-dimensional electron probability density at a large distance from the nucleus. Ourmore » experiments confirm that oscillatory wave packet motion occurs only for certain recombination ''kick'' strengths. Moreover, the measured time-dependent momentum distributions are consistent with the predicted formation of a highly localized electron packet. We demonstrate a variation of the IMR in which amplitude modulation of the HCP probe field is employed to suppress noise and allow for a more direct recovery of electron momentum from experimental ionization data.« less

Relativistic atomic structure calculations and electron impact excitations of Fe23+

NASA Astrophysics Data System (ADS)

El-Maaref, A. A.

2016-02-01

Relativistic calculations using the multiconfiguration Dirac-Fock method for energy levels, oscillator strengths, and electronic dipole transition probabilities of Li-like iron (Fe23+) are presented. A configuration state list with the quantum numbers nl, where n = 2 - 7 and l = s , p , d , f , g , h , i has been considered. Excitations up to three electrons and correlation contributions from higher orbitals up to 7 l have been included. Contributions from core levels have been taken into account, EOL (extended optimal level) type calculations have been applied, and doubly excited levels are considered. The calculations have been executed by using the fully relativistic atomic structure package GRASP2K. The present calculations have been compared with the available experimental and theoretical sources, the comparisons show a good agreement between the present results of energy levels and oscillator strengths with the literature. In the second part of the present study, the atomic data (energy levels, and radiative parameters) have been used to calculate the excitation and deexcitation rates of allowed transitions by electron impact, as well as the population densities of some excited levels at different electron temperatures.

Effect of segmented electrode length on the performances of Hall thruster

NASA Astrophysics Data System (ADS)

Duan, Ping; Chen, Long; Liu, Guangrui; Bian, Xingyu; Yin, Yan

2016-09-01

The influences of the low-emissive graphite segmented electrode placed near the channel exit on the discharge characteristics of Hall thruster are studied using the particle-in-cell method. A two-dimensional physical model is established according to the Hall thruster discharge channel configuration. The effects of electrode length on potential, ion density, electron temperature, ionization rate and discharge current are investigated. It is found that, with the increasing of segmented electrode length, the equipotential lines bend towards the channel exit, and approximately parallel to the wall at the channel surface, radial velocity and radial flow of ions are increased, and the electron temperature is also enhanced. Due to the conductive characteristic of electrodes, the radial electric field and the axial electron conductivity near the wall are enhanced, and the probability of the electron-atom ionization is reduced, which leads to the degradation of ionization rate in discharge channel. However, the interaction between electrons and the wall enhances the near wall conductivity, therefore the discharge current grows along with the segmented electrode length, and the performance of the thruster is also affected.

Pressure-induced electronic topological transitions in the charge-density-wave material In 4 Se 3

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

Zhang, Yuhang; Song, Liyan; Shao, Xuecheng

2017-08-01

High-pressure in situ angle dispersive X-ray diffraction (ADXRD) measurements were performed on the charge-density-wave (CDW) material In4Se3 up to 48.8 GPa. Pressure-induced structural changes were observed at 7.0 and 34.2 GPa, respectively. Using the CALYPSO methodology, the first high-pressure phase was solved as an exotic Pca21 structure. The compressional behaviors of the initial Pnnm and the Pca21 phases were all determined. Combined with first-principle calculations, we find that, unexpectedly, the Pnnm phase probably experiences twice electronic topological transitions (ETTs), from the initial possible CDW state to a semimetallic state at about 2.3 GPa and then back to a possible CDWmore » state at around 3.5 GPa, which was uncovered for the first time in CDW systems. In the both possible CDW states, pressure provokes a decrease of band-gap. The observation of a bulk metallic state was ascribed to structural transition to the Pca21 phase. Besides, based on electronic band structure calculations, the thermoelectric property of the Pnnm phase under compression was discussed. Our results show that pressure play a dramatic role in tuning In4Se3's structure and transport properties.« less

Investigation of estimators of probability density functions

NASA Technical Reports Server (NTRS)

Speed, F. M.

1972-01-01

Four research projects are summarized which include: (1) the generation of random numbers on the IBM 360/44, (2) statistical tests used to check out random number generators, (3) Specht density estimators, and (4) use of estimators of probability density functions in analyzing large amounts of data.

Fusion of Hard and Soft Information in Nonparametric Density Estimation

DTIC Science & Technology

2015-06-10

and stochastic optimization models, in analysis of simulation output, and when instantiating probability models. We adopt a constrained maximum...particular, density estimation is needed for generation of input densities to simulation and stochastic optimization models, in analysis of simulation output...an essential step in simulation analysis and stochastic optimization is the generation of probability densities for input random variables; see for

On the probability distribution function of the mass surface density of molecular clouds. II.

NASA Astrophysics Data System (ADS)

Fischera, Jörg

2014-11-01

The probability distribution function (PDF) of the mass surface density of molecular clouds provides essential information about the structure of molecular cloud gas and condensed structures out of which stars may form. In general, the PDF shows two basic components: a broad distribution around the maximum with resemblance to a log-normal function, and a tail at high mass surface densities attributed to turbulence and self-gravity. In a previous paper, the PDF of condensed structures has been analyzed and an analytical formula presented based on a truncated radial density profile, ρ(r) = ρc/ (1 + (r/r0)2)n/ 2 with central density ρc and inner radius r0, widely used in astrophysics as a generalization of physical density profiles. In this paper, the results are applied to analyze the PDF of self-gravitating, isothermal, pressurized, spherical (Bonnor-Ebert spheres) and cylindrical condensed structures with emphasis on the dependence of the PDF on the external pressure pext and on the overpressure q-1 = pc/pext, where pc is the central pressure. Apart from individual clouds, we also consider ensembles of spheres or cylinders, where effects caused by a variation of pressure ratio, a distribution of condensed cores within a turbulent gas, and (in case of cylinders) a distribution of inclination angles on the mean PDF are analyzed. The probability distribution of pressure ratios q-1 is assumed to be given by P(q-1) ∝ q-k1/ (1 + (q0/q)γ)(k1 + k2) /γ, where k1, γ, k2, and q0 are fixed parameters. The PDF of individual spheres with overpressures below ~100 is well represented by the PDF of a sphere with an analytical density profile with n = 3. At higher pressure ratios, the PDF at mass surface densities Σ ≪ Σ(0), where Σ(0) is the central mass surface density, asymptotically approaches the PDF of a sphere with n = 2. Consequently, the power-law asymptote at mass surface densities above the peak steepens from Psph(Σ) ∝ Σ-2 to Psph(Σ) ∝ Σ-3. The corresponding asymptote of the PDF of cylinders for the large q-1 is approximately given by Pcyl(Σ) ∝ Σ-4/3(1 - (Σ/Σ(0))2/3)-1/2. The distribution of overpressures q-1 produces a power-law asymptote at high mass surface densities given by ∝ Σ-2k2 - 1 (spheres) or ∝ Σ-2k2 (cylinders). Appendices are available in electronic form at http://www.aanda.org

Many-body calculations of low energy eigenstates in magnetic and periodic systems with self healing diffusion Monte Carlo: steps beyond the fixed-phase

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

Reboredo, Fernando A.

The self-healing diffusion Monte Carlo algorithm (SHDMC) [Reboredo, Hood and Kent, Phys. Rev. B {\\bf 79}, 195117 (2009), Reboredo, {\\it ibid.} {\\bf 80}, 125110 (2009)] is extended to study the ground and excited states of magnetic and periodic systems. A recursive optimization algorithm is derived from the time evolution of the mixed probability density. The mixed probability density is given by an ensemble of electronic configurations (walkers) with complex weight. This complex weigh allows the amplitude of the fix-node wave function to move away from the trial wave function phase. This novel approach is both a generalization of SHDMC andmore » the fixed-phase approximation [Ortiz, Ceperley and Martin Phys Rev. Lett. {\\bf 71}, 2777 (1993)]. When used recursively it improves simultaneously the node and phase. The algorithm is demonstrated to converge to the nearly exact solutions of model systems with periodic boundary conditions or applied magnetic fields. The method is also applied to obtain low energy excitations with magnetic field or periodic boundary conditions. The potential applications of this new method to study periodic, magnetic, and complex Hamiltonians are discussed.« less

Evaluating detection probabilities for American marten in the Black Hills, South Dakota

USGS Publications Warehouse

Smith, Joshua B.; Jenks, Jonathan A.; Klaver, Robert W.

2007-01-01

Assessing the effectiveness of monitoring techniques designed to determine presence of forest carnivores, such as American marten (Martes americana), is crucial for validation of survey results. Although comparisons between techniques have been made, little attention has been paid to the issue of detection probabilities (p). Thus, the underlying assumption has been that detection probabilities equal 1.0. We used presence-absence data obtained from a track-plate survey in conjunction with results from a saturation-trapping study to derive detection probabilities when marten occurred at high (>2 marten/10.2 km2) and low (???1 marten/10.2 km2) densities within 8 10.2-km2 quadrats. Estimated probability of detecting marten in high-density quadrats was p = 0.952 (SE = 0.047), whereas the detection probability for low-density quadrats was considerably lower (p = 0.333, SE = 0.136). Our results indicated that failure to account for imperfect detection could lead to an underestimation of marten presence in 15-52% of low-density quadrats in the Black Hills, South Dakota, USA. We recommend that repeated site-survey data be analyzed to assess detection probabilities when documenting carnivore survey results.

Atomistic structures of nano-engineered SiC and radiation-induced amorphization resistance

DOE PAGES

Imada, Kenta; Ishimaru, Manabu; Sato, Kazuhisa; ...

2015-06-18

In this paper, nano-engineered 3C–SiC thin films, which possess columnar structures with high-density stacking faults and twins, were irradiated with 2 MeV Si ions at cryogenic and room temperatures. From cross-sectional transmission electron microscopy observations in combination with Monte Carlo simulations based on the Stopping and Range of Ions in Matter code, it was found that their amorphization resistance is six times greater than bulk crystalline SiC at room temperature. High-angle bright-field images taken by spherical aberration corrected scanning transmission electron microscopy revealed that the distortion of atomic configurations is localized near the stacking faults. Finally, the resultant strain fieldmore » probably contributes to the enhancement of radiation tolerance of this material.« less

NGC 3503 and its molecular environment

NASA Astrophysics Data System (ADS)

Duronea, N. U.; Vasquez, J.; Cappa, C. E.; Corti, M.; Arnal, E. M.

2012-01-01

Aims: We present a study of the molecular gas and interstellar dust distribution in the environs of the Hii region NGC 3503 associated with the open cluster Pis 17 with the aim of investigating the spatial distribution of the molecular gas linked to the nebula and achieving a better understanding of the interaction of the nebula and Pis 17 with their molecular environment. Methods: We based our study on 12CO(1-0) observations of a region of ~0.6° in size obtained with the 4-m NANTEN telescope, unpublished radio continuum data at 4800 and 8640 MHz obtained with the ATCA telescope, radio continuum data at 843 MHz obtained from SUMSS, and available IRAS, MSX, IRAC-GLIMPSE, and MIPSGAL images. Results: We found a molecular cloud (Component 1) having a mean velocity of -24.7 km s-1 ,compatible with the velocity of the ionized gas, which is associated with the nebula and its surroundings. Adopting a distance of 2.9 ± 0.4 kpc, the total molecular mass yields (7.6 ± 2.1) × 103M⊙ and density yields 400 ± 240 cm-3. The radio continuum data confirm the existence of an electron density gradient in NGC 3503. The IR emission shows a PDR bordering the higher density regions of the nebula. The spatial distribution of the CO emission shows that the nebula coincides with a molecular clump, and the strongest CO emission peak is located close to the higher electron density region. The more negative velocities of the molecular gas (about -27 km s-1), are coincident with NGC 3503. Candidate young stellar objects (YSOs) were detected toward the Hii region, suggesting that embedded star formation may be occurring in the neighborhood of the nebula. The clear electron density gradient, along with the spatial distribution of the molecular gas and PAHs in the region indicates that NGC 3503 is a blister-type Hii region that has probably undergone a champagne phase.

On the quantification and efficient propagation of imprecise probabilities resulting from small datasets

NASA Astrophysics Data System (ADS)

Zhang, Jiaxin; Shields, Michael D.

2018-01-01

This paper addresses the problem of uncertainty quantification and propagation when data for characterizing probability distributions are scarce. We propose a methodology wherein the full uncertainty associated with probability model form and parameter estimation are retained and efficiently propagated. This is achieved by applying the information-theoretic multimodel inference method to identify plausible candidate probability densities and associated probabilities that each method is the best model in the Kullback-Leibler sense. The joint parameter densities for each plausible model are then estimated using Bayes' rule. We then propagate this full set of probability models by estimating an optimal importance sampling density that is representative of all plausible models, propagating this density, and reweighting the samples according to each of the candidate probability models. This is in contrast with conventional methods that try to identify a single probability model that encapsulates the full uncertainty caused by lack of data and consequently underestimate uncertainty. The result is a complete probabilistic description of both aleatory and epistemic uncertainty achieved with several orders of magnitude reduction in computational cost. It is shown how the model can be updated to adaptively accommodate added data and added candidate probability models. The method is applied for uncertainty analysis of plate buckling strength where it is demonstrated how dataset size affects the confidence (or lack thereof) we can place in statistical estimates of response when data are lacking.

Origin and fate of nanoparticles in marine water - Preliminary results.

PubMed

Graca, Bożena; Zgrundo, Aleksandra; Zakrzewska, Danuta; Rzodkiewicz, Monika; Karczewski, Jakub

2018-05-05

The number, morphology and elemental composition of nanoparticles (<100 nm) in marine water was investigated using Variable Pressure Scanning Electron Microscopy (VP-SEM) and Energy-dispersive X-ray spectroscopy (EDS). Preliminary research conducted in the Baltic Sea showed that the number of nanoparticles in seawater varied from undetectable to 380 (x10 2 ) cm -3 . Wind mixing and density barriers (thermocline) had a significant impact on the abundance and distribution of nanoparticles in water. Many more nanoparticles (mainly nanofibers) were detected in periods of intensive primary production and thermal stratification of water than at the end of the growing season and during periods of strong wind mixing. Temporal and spatial variability of nanoparticles as well as air mass trajectories indicated that the analysed nanofibers were both autochthonous and allochthonous (atmospheric), while the nanospheres were mainly autochthonous. Chemical composition of most of analysed nanoparticles indicates their autochthonous, natural (biogenic/geogenic) origin. Silica nanofibers (probably the remains of flagellates), nanofibers composed of manganese and iron oxides (probably of microbial origin), and pyrite nanospheres (probable formed in anoxic sediments), were all identified in the samples. Only asbestos nanofibers, which were also detected, are probably allochthonous and anthropogenic. Copyright © 2018 Elsevier Ltd. All rights reserved.

Nonstationary envelope process and first excursion probability.

NASA Technical Reports Server (NTRS)

Yang, J.-N.

1972-01-01

The definition of stationary random envelope proposed by Cramer and Leadbetter, is extended to the envelope of nonstationary random process possessing evolutionary power spectral densities. The density function, the joint density function, the moment function, and the crossing rate of a level of the nonstationary envelope process are derived. Based on the envelope statistics, approximate solutions to the first excursion probability of nonstationary random processes are obtained. In particular, applications of the first excursion probability to the earthquake engineering problems are demonstrated in detail.

The force distribution probability function for simple fluids by density functional theory.

PubMed

Rickayzen, G; Heyes, D M

2013-02-28

Classical density functional theory (DFT) is used to derive a formula for the probability density distribution function, P(F), and probability distribution function, W(F), for simple fluids, where F is the net force on a particle. The final formula for P(F) ∝ exp(-AF(2)), where A depends on the fluid density, the temperature, and the Fourier transform of the pair potential. The form of the DFT theory used is only applicable to bounded potential fluids. When combined with the hypernetted chain closure of the Ornstein-Zernike equation, the DFT theory for W(F) agrees with molecular dynamics computer simulations for the Gaussian and bounded soft sphere at high density. The Gaussian form for P(F) is still accurate at lower densities (but not too low density) for the two potentials, but with a smaller value for the constant, A, than that predicted by the DFT theory.

Postfragmentation density function for bacterial aggregates in laminar flow

PubMed Central

Byrne, Erin; Dzul, Steve; Solomon, Michael; Younger, John

2014-01-01

The postfragmentation probability density of daughter flocs is one of the least well-understood aspects of modeling flocculation. We use three-dimensional positional data of Klebsiella pneumoniae bacterial flocs in suspension and the knowledge of hydrodynamic properties of a laminar flow field to construct a probability density function of floc volumes after a fragmentation event. We provide computational results which predict that the primary fragmentation mechanism for large flocs is erosion. The postfragmentation probability density function has a strong dependence on the size of the original floc and indicates that most fragmentation events result in clumps of one to three bacteria eroding from the original floc. We also provide numerical evidence that exhaustive fragmentation yields a limiting density inconsistent with the log-normal density predicted in the literature, most likely due to the heterogeneous nature of K. pneumoniae flocs. To support our conclusions, artificial flocs were generated and display similar postfragmentation density and exhaustive fragmentation. PMID:21599205

Multicomponent density functional theory embedding formulation.

PubMed

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

2016-07-28

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

Multicomponent density functional theory embedding formulation

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

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

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

Normal and abnormal evolution of argon metastable density in high-density plasmas

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

Seo, B. H.; Kim, J. H., E-mail: jhkim86@kriss.re.kr; You, S. J., E-mail: sjyou@cnu.ac.kr

2015-05-15

A controversial problem on the evolution of Ar metastable density as a function of electron density (increasing trend versus decreasing trend) was resolved by discovering the anomalous evolution of the argon metastable density with increasing electron density (discharge power), including both trends of the metastable density [Daltrini et al., Appl. Phys. Lett. 92, 061504 (2008)]. Later, by virtue of an adequate physical explanation based on a simple global model, both evolutions of the metastable density were comprehensively understood as part of the abnormal evolution occurring at low- and high-density regimes, respectively, and thus the physics behind the metastable evolution hasmore » seemed to be clearly disclosed. In this study, however, a remarkable result for the metastable density behavior with increasing electron density was observed: even in the same electron density regime, there are both normal and abnormal evolutions of metastable-state density with electron density depending on the measurement position: The metastable density increases with increasing electron density at a position far from the inductively coupled plasma antenna but decreases at a position close to the antenna. The effect of electron temperature, which is spatially nonuniform in the plasma, on the electron population and depopulation processes of Argon metastable atoms with increasing electron density is a clue to understanding the results. The calculated results of the global model, including multistep ionization for the argon metastable state and measured electron temperature, are in a good agreement with the experimental results.« less

Ionospheric variations during sudden stratospheric warming in the high- and mid-latitude regions

NASA Astrophysics Data System (ADS)

Yasyukevich, Anna; Voeykov, Sergey; Mylnikova, Anna

2017-04-01

The ionospheric dynamic in the high- and middle-latitude regions during the periods of sudden stratospheric warmings (SSW) was studied by using the international network of phase dual-frequency GPS/GLONASS receivers and the vertical sounding data. Twelve SSW events that occurred in the Northern Hemisphere 2006 through 2013 were considered. In order to identify the possible response of the ionosphere to SSW events, we carried out the analysis of the total electron (TEC) and the F2-layer maximum electron density (NmF2) deviations from the background level. We have also studied changes of the level of total electron content (TEC) wave-like variations characterized by a special index WTEC. The index reflects the intensity of medium- and large-scale traveling ionospheric disturbances. The dynamics of the high- and middle-latitude ionosphere at the points near the SSW areas was found to differ from the regular. For a large number of events, it is shown that, despite quiet geomagnetic conditions, a noticeable decrease in the NmF2 and TEC values (by 5-10% relative to the background level) is observed during the SSW evolution and maximum stages. On the contrary, for 10-20 days after the SSW maxima, NmF2 and TEC significantly exceed the monthly averaged values. Moreover, these electron density changes are observed for both strong and weak stratospheric warmings, and are recorded mainly during daytime. The observed SSW effects in the polar and mid-latitude ionosphere are assumed to be probably associated with the changes in the neutral composition at the thermospheric heights that affect the F2-layer electron density. The study is supported by the Russian Foundation for Basic Research under Grant No. 16-35-60018, as well as by the RF President Grant of Public Support for RF Leading Scientific Schools (NSh-6894.2016.5).

Density-Functional Theory with Optimized Effective Potential and Self-Interaction Correction for the Double Ionization of He and Be Atoms

NASA Astrophysics Data System (ADS)

Heslar, John; Telnov, Dmitry; Chu, Shih-I.

2012-06-01

We present a self-interaction-free (SIC) time-dependent density-functional theory (TDDFT) for the treatment of double ionization processes of many-electron systems. The method is based on the Krieger-Li-Iafrate (KLI) treatment of the optimized effective potential (OEP) theory and the incorporation of an explicit self-interaction correction (SIC) term. In the framework of the time-dependent density functional theory, we have performed 3D calculations of double ionization of He and Be atoms by strong near-infrared laser fields. We make use of the exchange-correlation potential with the integer discontinuity which improves the description of the double ionization process. We found that proper description of the double ionization requires the TDDFT exchange-correlation potential with the discontinuity with respect to the variation of the spin particle numbers (SPN) only. The results for the intensity-dependent probabilities of single and double ionization are presented and reproduce the famous ``knee'' structure.

Characterization and extraction of the synaptic apposition surface for synaptic geometry analysis

PubMed Central

Morales, Juan; Rodríguez, Angel; Rodríguez, José-Rodrigo; DeFelipe, Javier; Merchán-Pérez, Angel

2013-01-01

Geometrical features of chemical synapses are relevant to their function. Two critical components of the synaptic junction are the active zone (AZ) and the postsynaptic density (PSD), as they are related to the probability of synaptic release and the number of postsynaptic receptors, respectively. Morphological studies of these structures are greatly facilitated by the use of recent electron microscopy techniques, such as combined focused ion beam milling and scanning electron microscopy (FIB/SEM), and software tools that permit reconstruction of large numbers of synapses in three dimensions. Since the AZ and the PSD are in close apposition and have a similar surface area, they can be represented by a single surface—the synaptic apposition surface (SAS). We have developed an efficient computational technique to automatically extract this surface from synaptic junctions that have previously been three-dimensionally reconstructed from actual tissue samples imaged by automated FIB/SEM. Given its relationship with the release probability and the number of postsynaptic receptors, the surface area of the SAS is a functionally relevant measure of the size of a synapse that can complement other geometrical features like the volume of the reconstructed synaptic junction, the equivalent ellipsoid size and the Feret's diameter. PMID:23847474

The frequency dependence of the discharge properties in a capacitively coupled oxygen discharge

NASA Astrophysics Data System (ADS)

Gudmundsson, J. T.; Snorrason, D. I.; Hannesdottir, H.

2018-02-01

We use the one-dimensional object-oriented particle-in-cell Monte Carlo collision code oopd1 to explore the evolution of the charged particle density profiles, electron heating mechanism, the electron energy probability function (EEPF), and the ion energy distribution in a single frequency capacitively coupled oxygen discharge, with driving frequency in the range 12-100 MHz. At a low driving frequency and low pressure (5 and 10 mTorr), a combination of stochastic (α-mode) and drift ambipolar (DA) heating in the bulk plasma (the electronegative core) is observed and the DA-mode dominates the time averaged electron heating. As the driving frequency or pressure are increased, the heating mode transitions into a pure α-mode, where electron heating in the sheath region dominates. At low pressure (5 and 10 mTorr), this transition coincides with a sharp decrease in electronegativity. At low pressure and low driving frequency, the EEPF is concave. As the driving frequency is increased, the number of low energy electrons increases and the relative number of higher energy electrons (>10 eV) increases. At high driving frequency, the EEPF develops a convex shape or becomes bi-Maxwellian.

Speech processing using conditional observable maximum likelihood continuity mapping

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

Hogden, John; Nix, David

A computer implemented method enables the recognition of speech and speech characteristics. Parameters are initialized of first probability density functions that map between the symbols in the vocabulary of one or more sequences of speech codes that represent speech sounds and a continuity map. Parameters are also initialized of second probability density functions that map between the elements in the vocabulary of one or more desired sequences of speech transcription symbols and the continuity map. The parameters of the probability density functions are then trained to maximize the probabilities of the desired sequences of speech-transcription symbols. A new sequence ofmore » speech codes is then input to the continuity map having the trained first and second probability function parameters. A smooth path is identified on the continuity map that has the maximum probability for the new sequence of speech codes. The probability of each speech transcription symbol for each input speech code can then be output.« less

ELECTRON MICROSCOPE STUDY OF MYCOBACTERIUM LEPRAE AND ITS ENVIRONMENT IN A VESICULAR LEPROUS LESION

PubMed Central

Imaeda, Tamotsu; Convit, Jacinto

1962-01-01

Imaeda, Tamotsu (Instituto Venezolano de Investigaciones Cientificas, Caracas, Venezuela) and Jacinto Convit. Electron microscope study of Mycobacterium leprae and its environment in a vesicular leprous lesion. J. Bacteriol. 83:43–52. 1962.—Biopsied specimens of a borderline leprosy lesion were observed with the electron microscope. In this lesion, the majority of Mycobacterium leprae were laden with cytoplasmic components. The bacilli were separated from the cytoplasm of host cells by an enclosing membrane, thus differing from the environment of well-developed lepra cells in lepromatous lesions. The cell wall is composed of a moderately dense layer. A diffuse layer is discernible outside the cell wall, separated from it by a low density space. It is suggested that the cell wall is further coated by a low density layer, although the nature of the outermost diffuse layer has not yet been determined. The plasma membrane consists of a double layer, i.e., dense inner and outer layers separated by a low density space. The outer layer is closely adjacent to the cell wall. In the region where the outer layer of the plasma membrane enters the cytoplasm and is transformed into a complex membranous structure, the inner layer encloses this membranous configuration. Together they form the intracytoplasmic membrane system. In the bacterial cytoplasm, moderately dense, presumably polyphosphate bodies are apparent. As neither these bodies nor the intracytoplasmic membrane system are visible in the degenerating bacilli, it seems probable that these two components represent indicators of the state of bacillary activity. Images PMID:16561926

Experimental and theoretical study of rotationally inelastic diffraction of H2(D2) from methyl-terminated Si(111)

NASA Astrophysics Data System (ADS)

Nihill, Kevin J.; Hund, Zachary M.; Muzas, Alberto; Díaz, Cristina; del Cueto, Marcos; Frankcombe, Terry; Plymale, Noah T.; Lewis, Nathan S.; Martín, Fernando; Sibener, S. J.

2016-08-01

Fundamental details concerning the interaction between H2 and CH3-Si(111) have been elucidated by the combination of diffractive scattering experiments and electronic structure and scattering calculations. Rotationally inelastic diffraction (RID) of H2 and D2 from this model hydrocarbon-decorated semiconductor interface has been confirmed for the first time via both time-of-flight and diffraction measurements, with modest j = 0 → 2 RID intensities for H2 compared to the strong RID features observed for D2 over a large range of kinematic scattering conditions along two high-symmetry azimuthal directions. The Debye-Waller model was applied to the thermal attenuation of diffraction peaks, allowing for precise determination of the RID probabilities by accounting for incoherent motion of the CH3-Si(111) surface atoms. The probabilities of rotationally inelastic diffraction of H2 and D2 have been quantitatively evaluated as a function of beam energy and scattering angle, and have been compared with complementary electronic structure and scattering calculations to provide insight into the interaction potential between H2 (D2) and hence the surface charge density distribution. Specifically, a six-dimensional potential energy surface (PES), describing the electronic structure of the H2(D2)/CH3-Si(111) system, has been computed based on interpolation of density functional theory energies. Quantum and classical dynamics simulations have allowed for an assessment of the accuracy of the PES, and subsequently for identification of the features of the PES that serve as classical turning points. A close scrutiny of the PES reveals the highly anisotropic character of the interaction potential at these turning points. This combination of experiment and theory provides new and important details about the interaction of H2 with a hybrid organic-semiconductor interface, which can be used to further investigate energy flow in technologically relevant systems.

Unusual Nonemissive Behavior of Rubrene J-Aggregates: A Rare Violation.

PubMed

Aggarwal, Nikhil; Patnaik, Archita

2017-04-13

Structure-property correlations in rubrene (RB) colloidal J-aggregates were unravelled by steady state and time-resolved spectroscopy in conjunction with excited state density functional calculations. The RB J-aggregate with a slippage angle θ = 30.4°, estimated from the monomeric transition dipole moment directions, exhibited a broad fwhm of 1073 cm -1 and a 5 nm red-shifted absorption band carrying a transition dipole moment (M⃗ λ agg = 1.80 D) almost equivalent to the monomeric dye (M⃗ λ mon = 1.89 D). A significantly low magnitude of exciton coupling energy, ΔE exc = -358 cm -1 for the rhombic-RB colloidal J-aggregates resulted owing to the weaker electronic communication between the largely separated RB subunits (r = 7.2 Å) and a restricted exciton delocalization over the RB J-dimer (N = 2). The RB J-dimer exhibited a perfect balance between the computed singlet (2.53 eV) and the triplet (1.29 eV) exciton energies for singlet fission (SF). Supporting this, the PL decay profile of the J-aggregates revealed a delayed fluorescence, substantiating triplet pair formation via SF. The experimental evidence for the long-lived triplet formation was furthermore confirmed by its transient absorption (T 1 → T N ) at 530 nm. Consequently, a high probability for SF and a low probability for triplet-triplet recombination, leading to a dramatic lowering in photoluminescence quantum yield from 0.172 down to 0.035 was noted. The electronic structure calculations for the RB J-dimer followed TD-DFT-M062X/6-31G+(d,p) level of theory following integral equation formalism polarizable continuum model (IEFPCM) in water. S 1 excited state for RB J-dimer was carefully analyzed using integral overlap of electron and hole density distribution (ϕ) and the defined t-indexes along all three spatial directions, and was found to be of locally excited in character.

Analysis of Ion Composition Estimation Accuracy for Incoherent Scatter Radars

NASA Astrophysics Data System (ADS)

Martínez Ledesma, M.; Diaz, M. A.

2017-12-01

The Incoherent Scatter Radar (ISR) is one of the most powerful sounding methods developed to estimate the Ionosphere. This radar system determines the plasma parameters by sending powerful electromagnetic pulses to the Ionosphere and analyzing the received backscatter. This analysis provides information about parameters such as electron and ion temperatures, electron densities, ion composition, and ion drift velocities. Nevertheless in some cases the ISR analysis has ambiguities in the determination of the plasma characteristics. It is of particular relevance the ion composition and temperature ambiguity obtained between the F1 and the lower F2 layers. In this case very similar signals are obtained with different mixtures of molecular ions (NO2+ and O2+) and atomic oxygen ions (O+), and consequently it is not possible to completely discriminate between them. The most common solution to solve this problem is the use of empirical or theoretical models of the ionosphere in the fitting of ambiguous data. More recent works take use of parameters estimated from the Plasma Line band of the radar to reduce the number of parameters to determine. In this work we propose to determine the error estimation of the ion composition ambiguity when using Plasma Line electron density measurements. The sensibility of the ion composition estimation has been also calculated depending on the accuracy of the ionospheric model, showing that the correct estimation is highly dependent on the capacity of the model to approximate the real values. Monte Carlo simulations of data fitting at different signal to noise (SNR) ratios have been done to obtain valid and invalid estimation probability curves. This analysis provides a method to determine the probability of erroneous estimation for different signal fluctuations. Also it can be used as an empirical method to compare the efficiency of the different algorithms and methods on when solving the ion composition ambiguity.

Generalized skew-symmetric interfacial probability distribution in reflectivity and small-angle scattering analysis

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

Jiang, Zhang; Chen, Wei

Generalized skew-symmetric probability density functions are proposed to model asymmetric interfacial density distributions for the parameterization of any arbitrary density profiles in the `effective-density model'. The penetration of the densities into adjacent layers can be selectively controlled and parameterized. A continuous density profile is generated and discretized into many independent slices of very thin thickness with constant density values and sharp interfaces. The discretized profile can be used to calculate reflectivities via Parratt's recursive formula, or small-angle scattering via the concentric onion model that is also developed in this work.

Generalized skew-symmetric interfacial probability distribution in reflectivity and small-angle scattering analysis

DOE PAGES

Jiang, Zhang; Chen, Wei

2017-11-03

Generalized skew-symmetric probability density functions are proposed to model asymmetric interfacial density distributions for the parameterization of any arbitrary density profiles in the `effective-density model'. The penetration of the densities into adjacent layers can be selectively controlled and parameterized. A continuous density profile is generated and discretized into many independent slices of very thin thickness with constant density values and sharp interfaces. The discretized profile can be used to calculate reflectivities via Parratt's recursive formula, or small-angle scattering via the concentric onion model that is also developed in this work.

On the sizes and observable effects of dust particles in polar mesospheric winter echoes

NASA Astrophysics Data System (ADS)

Havnes, O.; Kassa, M.

2009-05-01

In the present paper, recent radar and heating experiments on the polar mesospheric winter echoes (PMWE) are analyzed with the radar overshoot model. The PMWE dust particles that influence the radar backscatter most likely have sizes around 3 nm. For dust to influence the electrons in the PMWE layers, it must be charged; therefore, we have discussed the charging of nanometer-sized particles and found that the photodetachment effect, where photons of energy less than the work function of the dust material can remove excess electrons, probably is dominant at sunlit conditions. For moderate and low electron densities, very few of the dust smaller than ˜3 nm will be charged. We suggest that the normal requirement that disturbed magnetospheric conditions with ionizing precipitation must be present to create observable PMWE is needed mainly to create sufficiently high electron densities to overcome the photodetachment effect and charge the PMWE dust particles. We have also suggested other possible effects of the photodetachment on the occurrence rate of the PMWE. We attribute the lack of PMWE-like radar scattering layers in the lower mesosphere during the summer not only to a lower level of turbulence than in winter but also to that dust particles are removed from these layers due to the upward wind draught in the summer mesospheric circulation system. It is likely that this last effect will completely shut off the PMWE-like radar layers in the lower parts of the mesosphere.

Thermodynamic Study on Plasma Expansion along a Divergent Magnetic Field.

PubMed

Zhang, Yunchao; Charles, Christine; Boswell, Rod

2016-01-15

Thermodynamic properties are revisited for electrons that are governed by nonlocal electron energy probability functions in a plasma of low collisionality. Measurements in a laboratory helicon double layer experiment have shown that the effective electron temperature and density show a polytropic correlation with an index of γ_{e}=1.17±0.02 along the divergent magnetic field, implying a nearly isothermal plasma (γ_{e}=1) with heat being brought into the system. However, the evolution of electrons along the divergent magnetic field is essentially an adiabatic process, which should have a γ_{e}=5/3. The reason for this apparent contradiction is that the nearly collisionless plasma is very far from local thermodynamic equilibrium and the electrons behave nonlocally. The corresponding effective electron enthalpy has a conservation relation with the potential energy, which verifies that there is no heat transferred into the system during the electron evolution. The electrons are shown in nonlocal momentum equilibrium under the electric field and the gradient of the effective electron pressure. The convective momentum of ions, which can be assumed as a cold species, is determined by the effective electron pressure and the effective electron enthalpy is shown to be the source for ion acceleration. For these nearly collisionless plasmas, the use of traditional thermodynamic concepts can lead to very erroneous conclusions regarding the thermal conductivity.

Probability and Quantum Paradigms: the Interplay

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

Kracklauer, A. F.

Since the introduction of Born's interpretation of quantum wave functions as yielding the probability density of presence, Quantum Theory and Probability have lived in a troubled symbiosis. Problems arise with this interpretation because quantum probabilities exhibit features alien to usual probabilities, namely non Boolean structure and non positive-definite phase space probability densities. This has inspired research into both elaborate formulations of Probability Theory and alternate interpretations for wave functions. Herein the latter tactic is taken and a suggested variant interpretation of wave functions based on photo detection physics proposed, and some empirical consequences are considered. Although incomplete in a fewmore » details, this variant is appealing in its reliance on well tested concepts and technology.« less

Probability and Quantum Paradigms: the Interplay

NASA Astrophysics Data System (ADS)

Kracklauer, A. F.

2007-12-01

Since the introduction of Born's interpretation of quantum wave functions as yielding the probability density of presence, Quantum Theory and Probability have lived in a troubled symbiosis. Problems arise with this interpretation because quantum probabilities exhibit features alien to usual probabilities, namely non Boolean structure and non positive-definite phase space probability densities. This has inspired research into both elaborate formulations of Probability Theory and alternate interpretations for wave functions. Herein the latter tactic is taken and a suggested variant interpretation of wave functions based on photo detection physics proposed, and some empirical consequences are considered. Although incomplete in a few details, this variant is appealing in its reliance on well tested concepts and technology.

Noise-induced transitions in a double-well oscillator with nonlinear dissipation.

PubMed

Semenov, Vladimir V; Neiman, Alexander B; Vadivasova, Tatyana E; Anishchenko, Vadim S

2016-05-01

We develop a model of bistable oscillator with nonlinear dissipation. Using a numerical simulation and an electronic circuit realization of this system we study its response to additive noise excitations. We show that depending on noise intensity the system undergoes multiple qualitative changes in the structure of its steady-state probability density function (PDF). In particular, the PDF exhibits two pitchfork bifurcations versus noise intensity, which we describe using an effective potential and corresponding normal form of the bifurcation. These stochastic effects are explained by the partition of the phase space by the nullclines of the deterministic oscillator.

Uncertainty Representation and Interpretation in Model-Based Prognostics Algorithms Based on Kalman Filter Estimation

NASA Technical Reports Server (NTRS)

Galvan, Jose Ramon; Saxena, Abhinav; Goebel, Kai Frank

2012-01-01

This article discusses several aspects of uncertainty representation and management for model-based prognostics methodologies based on our experience with Kalman Filters when applied to prognostics for electronics components. In particular, it explores the implications of modeling remaining useful life prediction as a stochastic process, and how it relates to uncertainty representation, management and the role of prognostics in decision-making. A distinction between the interpretations of estimated remaining useful life probability density function is explained and a cautionary argument is provided against mixing interpretations for two while considering prognostics in making critical decisions.

Real-time first-principles simulations of thermionic emission from N-doped diamond surfaces

NASA Astrophysics Data System (ADS)

Shinozaki, Tomoki; Hagiwara, Satoshi; Morioka, Naoya; Kimura, Yuji; Watanabe, Kazuyuki

2018-06-01

We investigate thermionic emission from N-doped C(100) surfaces terminated with H or Li atoms using finite-temperature real-time density functional theory simulations. The current–temperature characteristics are found to follow the Richardson–Dushman (RD) equation, which was derived from a semiclassical theory. However, the Richardson constants are two orders of magnitude smaller than the ideal values from the RD theory. This considerable reduction is attributed primarily to the extremely low transmission probability of electrons from the surfaces toward the vacuum. The present method enables straightforward evaluation of the ideal efficiency of a thermionic energy converter.

LFSPMC: Linear feature selection program using the probability of misclassification

NASA Technical Reports Server (NTRS)

Guseman, L. F., Jr.; Marion, B. P.

1975-01-01

The computational procedure and associated computer program for a linear feature selection technique are presented. The technique assumes that: a finite number, m, of classes exists; each class is described by an n-dimensional multivariate normal density function of its measurement vectors; the mean vector and covariance matrix for each density function are known (or can be estimated); and the a priori probability for each class is known. The technique produces a single linear combination of the original measurements which minimizes the one-dimensional probability of misclassification defined by the transformed densities.

Non-Maxwellian electron energy probability functions in the plume of a SPT-100 Hall thruster

NASA Astrophysics Data System (ADS)

Giono, G.; Gudmundsson, J. T.; Ivchenko, N.; Mazouffre, S.; Dannenmayer, K.; Loubère, D.; Popelier, L.; Merino, M.; Olentšenko, G.

2018-01-01

We present measurements of the electron density, the effective electron temperature, the plasma potential, and the electron energy probability function (EEPF) in the plume of a 1.5 kW-class SPT-100 Hall thruster, derived from cylindrical Langmuir probe measurements. The measurements were taken on the plume axis at distances between 550 and 1550 mm from the thruster exit plane, and at different angles from the plume axis at 550 mm for three operating points of the thruster, characterized by different discharge voltages and mass flow rates. The bulk of the electron population can be approximated as a Maxwellian distribution, but the measured distributions were seen to decline faster at higher energy. The measured EEPFs were best modelled with a general EEPF with an exponent α between 1.2 and 1.5, and their axial and angular characteristics were studied for the different operating points of the thruster. As a result, the exponent α from the fitted distribution was seen to be almost constant as a function of the axial distance along the plume, as well as across the angles. However, the exponent α was seen to be affected by the mass flow rate, suggesting a possible relationship with the collision rate, especially close to the thruster exit. The ratio of the specific heats, the γ factor, between the measured plasma parameters was found to be lower than the adiabatic value of 5/3 for each of the thruster settings, indicating the existence of non-trivial kinetic heat fluxes in the near collisionless plume. These results are intended to be used as input and/or testing properties for plume expansion models in further work.

High Discharge Energy Density at Low Electric Field Using an Aligned Titanium Dioxide/Lead Zirconate Titanate Nanowire Array

PubMed Central

Zhang, Dou; Liu, Weiwei; Guo, Ru; Zhou, Kechao

2017-01-01

Abstract Polymer‐based capacitors with high energy density have attracted significant attention in recent years due to their wide range of potential applications in electronic devices. However, the obtained high energy density is predominantly dependent on high applied electric field, e.g., 400–600 kV mm−1, which may bring more challenges relating to the failure probability. Here, a simple two‐step method for synthesizing titanium dioxide/lead zirconate titanate nanowire arrays is exploited and a demonstration of their ability to achieve high discharge energy density capacitors for low operating voltage applications is provided. A high discharge energy density of 6.9 J cm−3 is achieved at low electric fields, i.e., 143 kV mm−1, which is attributed to the high relative permittivity of 218.9 at 1 kHz and high polarization of 23.35 µC cm−2 at this electric field. The discharge energy density obtained in this work is the highest known for a ceramic/polymer nanocomposite at such a low electric field. The novel nanowire arrays used in this work are applicable to a wide range of fields, such as energy harvesting, energy storage, and photocatalysis. PMID:29610724

Momentum Probabilities for a Single Quantum Particle in Three-Dimensional Regular "Infinite" Wells: One Way of Promoting Understanding of Probability Densities

ERIC Educational Resources Information Center

Riggs, Peter J.

2013-01-01

Students often wrestle unsuccessfully with the task of correctly calculating momentum probability densities and have difficulty in understanding their interpretation. In the case of a particle in an "infinite" potential well, its momentum can take values that are not just those corresponding to the particle's quantised energies but…

Generalized Maximum Entropy

NASA Technical Reports Server (NTRS)

Cheeseman, Peter; Stutz, John

2005-01-01

A long standing mystery in using Maximum Entropy (MaxEnt) is how to deal with constraints whose values are uncertain. This situation arises when constraint values are estimated from data, because of finite sample sizes. One approach to this problem, advocated by E.T. Jaynes [1], is to ignore this uncertainty, and treat the empirically observed values as exact. We refer to this as the classic MaxEnt approach. Classic MaxEnt gives point probabilities (subject to the given constraints), rather than probability densities. We develop an alternative approach that assumes that the uncertain constraint values are represented by a probability density {e.g: a Gaussian), and this uncertainty yields a MaxEnt posterior probability density. That is, the classic MaxEnt point probabilities are regarded as a multidimensional function of the given constraint values, and uncertainty on these values is transmitted through the MaxEnt function to give uncertainty over the MaXEnt probabilities. We illustrate this approach by explicitly calculating the generalized MaxEnt density for a simple but common case, then show how this can be extended numerically to the general case. This paper expands the generalized MaxEnt concept introduced in a previous paper [3].

Electron temperatures within magnetic clouds between 2 and 4 AU: Voyager 2 observations

NASA Astrophysics Data System (ADS)

Sittler, E. C.; Burlaga, L. F.

1998-08-01

We have performed an analysis of Voyager 2 plasma electron observations within magnetic clouds between 2 and 4 AU identified by Burlaga and Behannon [1982]. The analysis has been confined to three of the magnetic clouds identified by Burlaga and Behannon that had high-quality data. The general properties of the plasma electrons within a magnetic cloud are that (1) the moment electron temperature anticorrelates with the electron density within the cloud, (2) the ratio Te/Tp tends to be >1, and (3) on average, Te/Tp~7.0. All three results are consistent with previous electron observations within magnetic clouds. Detailed analyses of the core and halo populations within the magnetic clouds show no evidence of either an anticorrelation between the core temperature TC and the electron density Ne or an anticorrelation between the halo temperature TH and the electron density. Within the magnetic clouds the halo component can contribute more than 50% of the electron pressure. The anticorrelation of Te relative to Ne can be traced to the density of the halo component relative to the density of the core component. The core electrons dominate the electron density. When the density goes up, the halo electrons contribute less to the electron pressure, so we get a lower Te. When the electron density goes down, the halo electrons contribute more to the electron pressure, and Te goes up. We find a relation between the electron pressure and density of the form Pe=αNeγ with γ~0.5.

Switching probability of all-perpendicular spin valve nanopillars

NASA Astrophysics Data System (ADS)

Tzoufras, M.

2018-05-01

In all-perpendicular spin valve nanopillars the probability density of the free-layer magnetization is independent of the azimuthal angle and its evolution equation simplifies considerably compared to the general, nonaxisymmetric geometry. Expansion of the time-dependent probability density to Legendre polynomials enables analytical integration of the evolution equation and yields a compact expression for the practically relevant switching probability. This approach is valid when the free layer behaves as a single-domain magnetic particle and it can be readily applied to fitting experimental data.

Synthesis and characterization of Ti-Si-C-N films

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

Shtansky, D.V.; Levashov, E.A.; Sheveiko, A.N.

1999-09-01

This study represents one of the first attempts to deposit multicomponent (more than three components) thin films by magnetron sputtering of multiphase composite targets (three phases or even more). Films of Ti-Si-C-N were synthesized through dc magnetron sputtering of xTiC + yTi{sub 3}SiC{sub 2} + zA composite targets (A was TiSi{sub 2}, SiC, or a mixture of these phases) in an argon atmosphere or in a gaseous mixture of argon and nitrogen. The as-deposited films were characterized using Auger electron spectroscopy, X-ray diffraction, transmission electron microscopy using selected area electron diffraction and high-resolution techniques, and microhardness. It was shown thatmore » the substrate temperature and the nitrogen concentration in the reactive gas had a strong influence on the structure and the composition of the as-deposited films. Polycrystalline grains contained a high density of dislocations and exhibited a curved appearance of the lattice fringes that is probably due to the presence of the long-range stress fields. The measurements of the lattice parameters using the selected area electron diffraction pattern (SA EDP) method indicated, with a high probability, that the polycrystalline grains consist of clusters of atoms with varying compositions. The grain boundaries in the nanocrystalline Ti-Si-C-N films had both ordered and disordered regions, although some regions close to the interface exhibited neither a fully crystalline nor a homogeneously amorphous structure. The contribution of compressive stress as determined by an increase in the fcc lattice parameter is also discussed.« less

Effect of Ligand Exchange on the Photoluminescence Properties of Cu-Doped Zn-In-Se Quantum Dots

NASA Astrophysics Data System (ADS)

Dong, Xiaofei; Xu, Jianping; Yang, Hui; Zhang, Xiaosong; Mo, Zhaojun; Shi, Shaobo; Li, Lan; Yin, Shougen

2018-04-01

The surface-bound ligands of a semiconductor nanocrystal can affect its electron transition behavior. We investigate the photoluminescence (PL) properties of Cu-doped Zn-In-Se quantum dots (QDs) through the exchange of oleylamine with 6-mercaptohexanol (MCH). Fourier transform infrared and 1H nuclear magnetic resonance spectroscopies, and mass spectrometry reveal that the short-chain MCH molecules are bound to the QD surface. The emission peaks remain unchanged after ligand exchange, and the PL quantum yield is reduced from 49% to 38%. The effects of particle size and defect type on the change in PL behavior upon ligand substitution are excluded through high-resolution transmission electron microscopy, UV-Vis absorption, and PL spectroscopies. The origin of the decreased PL intensity is associated with increased ligand density and the stronger ligand electron-donating abilities of MCH-capped QDs that induce an increase in the nonradiative transition probability. A lower PL quenching transition temperature is observed for MCH-capped QDs and is associated with increasing electron-acoustic phonon coupling due to the lower melting temperature of MCH.

Natural nanostructure and superlattice nanodomains in AgSbTe{sub 2}

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

Carlton, Christopher E.; De Armas, Ricardo; Shao-Horn, Yang, E-mail: delaireoa@ornl.gov, E-mail: shaohorn@mit.edu

2014-04-14

AgSbTe{sub 2} has long been of interest for thermoelectric applications because of its favorable electronic properties and its low lattice thermal conductivity of ∼0.7 W/mK. In this work, we report new findings from a high-resolution transmission electron microscopy study revealing two nanostructures in single crystal Ag{sub 1−x}Sb{sub 1+x}Sb{sub 2+x} (with x = 0, 0.1, 0.2); (i) a rippled natural nanostructure with a period of ∼2.5–5 nm and (ii) superlattice ordered nanodomains consistent with cation ordering predicted in previous density functional theory studies. These nanostructures, combined with point-defects, probably serve as sources of scattering for phonons, thereby yielding a low lattice thermal conductivity over amore » wide temperature range.« less

X-ray flares from runaway pair production in active galactic nuclei

NASA Technical Reports Server (NTRS)

Kirk, J. G.; Mastichiadis, A.

1992-01-01

The hard X-ray spectrum of AGNs is nonthermal, probably arising from an electron-positron pair cascade, with some emission reflected off relatively cold matter. There has been interest in models on which protons are accelerated and create relativistic electrons on interaction with a local radiation field. It is shown here that a sufficient column density of protons can lead to runaway pair production: photons generated by the relativistic pairs are the targets for the protons to produce more pairs. This can produce X-ray fluxes with the characteristics observed in AGN. The model predicts the maximum ratio of luminosity to source size as well as their spectrum in the early phases. The same mechanism may also be able to create the knots of synchrotron-radiating pair plasma seen in sources such as 3C273.

Determination of structure parameters in strong-field tunneling ionization theory of molecules

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

Zhao Songfeng; Jin Cheng; College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou, Gansu 730070

2010-03-15

In the strong field molecular tunneling ionization theory of Tong et al. [Phys. Rev. A 66, 033402 (2002)], the ionization rate depends on the asymptotic wave function of the molecular orbital from which the electron is removed. The orbital wave functions obtained from standard quantum chemistry packages in general are not good enough in the asymptotic region. Here we construct a one-electron model potential for several linear molecules using density functional theory. We show that the asymptotic wave function can be improved with an iteration method and after one iteration accurate asymptotic wave functions and structure parameters are determined. Withmore » the new parameters we examine the alignment-dependent tunneling ionization probabilities for several molecules and compare with other calculations and with recent measurements, including ionization from inner molecular orbitals.« less

Faraday rotation in the M87 radio/X-ray halo

NASA Technical Reports Server (NTRS)

Dennison, B.

1980-01-01

Comparison of polarization maps at various wavelengths demonstrates the existence of a large Faraday rotation uniform over the radio core of M87. Much of this rotation must be external to the core, lest it appear completely depolarized when the rotation is about 90 degrees. The Faraday rotation is shown to occur primarily in the surrounding radio/X-ray halo. Using the electron density inferred from X-ray observations, the magnetic field in the halo is found to be 2.5 microgauss. The deduced magnetic field strength permits an evaluation of the importance of Compton scattering of 3 K background photons by relativistic electrons in the radio halo. The emergent Compton-scattered spectrum is calculated, and its contribution to the observed X-ray flux is small, probably about a percent or so, while the rest is due to thermal bremsstrahlung.

Turbulent fluctuations during pellet injection into a dipole confined plasma torus

NASA Astrophysics Data System (ADS)

Garnier, D. T.; Mauel, M. E.; Roberts, T. M.; Kesner, J.; Woskov, P. P.

2017-01-01

We report measurements of the turbulent evolution of the plasma density profile following the fast injection of lithium pellets into the Levitated Dipole Experiment (LDX) [Boxer et al., Nat. Phys. 6, 207 (2010)]. As the pellet passes through the plasma, it provides a significant internal particle source and allows investigation of density profile evolution, turbulent relaxation, and turbulent fluctuations. The total electron number within the dipole plasma torus increases by more than a factor of three, and the central density increases by more than a factor of five. During these large changes in density, the shape of the density profile is nearly "stationary" such that the gradient of the particle number within tubes of equal magnetic flux vanishes. In comparison to the usual case, when the particle source is neutral gas at the plasma edge, the internal source from the pellet causes the toroidal phase velocity of the fluctuations to reverse and changes the average particle flux at the plasma edge. An edge particle source creates an inward turbulent pinch, but an internal particle source increases the outward turbulent particle flux. Statistical properties of the turbulence are measured by multiple microwave interferometers and by an array of probes at the edge. The spatial structures of the largest amplitude modes have long radial and toroidal wavelengths. Estimates of the local and toroidally averaged turbulent particle flux show intermittency and a non-Gaussian probability distribution function. The measured fluctuations, both before and during pellet injection, have frequency and wavenumber dispersion consistent with theoretical expectations for interchange and entropy modes excited within a dipole plasma torus having warm electrons and cool ions.

Postfragmentation density function for bacterial aggregates in laminar flow.

PubMed

Byrne, Erin; Dzul, Steve; Solomon, Michael; Younger, John; Bortz, David M

2011-04-01

The postfragmentation probability density of daughter flocs is one of the least well-understood aspects of modeling flocculation. We use three-dimensional positional data of Klebsiella pneumoniae bacterial flocs in suspension and the knowledge of hydrodynamic properties of a laminar flow field to construct a probability density function of floc volumes after a fragmentation event. We provide computational results which predict that the primary fragmentation mechanism for large flocs is erosion. The postfragmentation probability density function has a strong dependence on the size of the original floc and indicates that most fragmentation events result in clumps of one to three bacteria eroding from the original floc. We also provide numerical evidence that exhaustive fragmentation yields a limiting density inconsistent with the log-normal density predicted in the literature, most likely due to the heterogeneous nature of K. pneumoniae flocs. To support our conclusions, artificial flocs were generated and display similar postfragmentation density and exhaustive fragmentation. ©2011 American Physical Society

Neutrino Photoproduction on the Electron of a Hydrogen-Like Atom

NASA Astrophysics Data System (ADS)

Skobelev, V. V.

2017-10-01

The process of interaction of a photon with the bound electron of a hydrogen-like atom with creation of a neutrino pair γ +{(Ze)}^{\\ast \\ast}\\to \\overline{νν}+{(Ze)}^{\\ast } is considered here for the first time. This process can take place with and without a change in the energy of the pair relative to the energy of the "initial" photon due to atomic transitions. It is shown that in the case when the system of atoms is located in an equilibrium radiation field with temperature T << m e this process can be neglected in comparison with spontaneous emission of the hydrogen-like atom {(Ze)}^{\\ast}\\to (Ze)+ν\\overline{ν} , despite the smaller power of the expansion parameter ( Zα) < < 1, α = e 2/ ℏc ≈ 1/137 in the expressions for the cross sections and probabilities. Calculations have been performed for the first time using the density matrix, introduced in the previous paper, of the electron in the field of the nucleus in the leading approximation in (Zα).

Electronic resonant tunneling on graphene superlattice heterostructures with a tunable graphene layer

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

Zhang, Shan; Cui, Liyong; Liu, Fen

We have theoretically investigated the electronic resonant tunneling effect in graphene superlattice heterostructures, where a tunable graphene layer is inserted between two different superlattices. It is found that a complete tunneling state appears inside the enlarged forbidden gap of the heterostructure by changing the thickness of the inserted graphene layer and the transmittance of the tunneling state depends on the thickness of the inserted layer. Furthermore, the frequency of the tunneling state changes with the thickness of the inserted graphene layer but it always located in the little overlapped forbidden gap of two graphene superlattices. Therefore, both a perfect tunnelingmore » state and an ultrawide forbidden gap are realized in such heterostrutures. Since maximum probability densities of the perfect tunneling state are highly localized near the interface between the inserted graphene layer and one graphene superlattice, it can be named as an interface-like state. Such structures are important to fabricate high-Q narrowband electron wave filters.« less

The effects of staggered bandgap in the InP/CdSe and CdSe/InP core/shell quantum dots.

PubMed

Kim, Sunghoon; Park, Jaehyun; Kim, Sungwoo; Jung, Won; Sung, Jaeyoung; Kim, Sang-Wook

2010-06-15

New type-II structures of CdSe/InP and InP/CdSe core-shell nanocrystals which have staggered bandgap alignment were fabricated. Using a simple model for the wave function for electrons and holes in InP/CdSe and CdSe/InP core/shell nanocrystals showed the wave function of the electron and hole spread into the shell, respectively. The probability density of the InP/CdSe and CdSe/InP core/shell QDs also showed a similar tendency. As a result, the structure exhibits increased delocalization of electrons and holes, leading to a red-shift in absorption and emission. Quantum yield increased in the InP/CdSe, however decreased in the CdSe/InP. The reason may be due to the surface trap and high activation barrier for de-trapping in the InP shell. 2010 Elsevier Inc. All rights reserved.

Fingerprint-Based Structure Retrieval Using Electron Density

PubMed Central

Yin, Shuangye; Dokholyan, Nikolay V.

2010-01-01

We present a computational approach that can quickly search a large protein structural database to identify structures that fit a given electron density, such as determined by cryo-electron microscopy. We use geometric invariants (fingerprints) constructed using 3D Zernike moments to describe the electron density, and reduce the problem of fitting of the structure to the electron density to simple fingerprint comparison. Using this approach, we are able to screen the entire Protein Data Bank and identify structures that fit two experimental electron densities determined by cryo-electron microscopy. PMID:21287628

Fingerprint-based structure retrieval using electron density.

PubMed

Yin, Shuangye; Dokholyan, Nikolay V

2011-03-01

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

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

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

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

2015-12-15

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

The Influence of Phonotactic Probability and Neighborhood Density on Children's Production of Newly Learned Words

ERIC Educational Resources Information Center

Heisler, Lori; Goffman, Lisa

2016-01-01

A word learning paradigm was used to teach children novel words that varied in phonotactic probability and neighborhood density. The effects of frequency and density on speech production were examined when phonetic forms were nonreferential (i.e., when no referent was attached) and when phonetic forms were referential (i.e., when a referent was…

Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer

NASA Astrophysics Data System (ADS)

Peters, William K.; Tiwari, Vivek; Jonas, David M.

2017-11-01

The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between adiabatic states. For all initial conditions investigated, the initial nonadiabatic electronic motion is driven towards the lower adiabatic state, and criteria for this directed motion are discussed.

Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer.

PubMed

Peters, William K; Tiwari, Vivek; Jonas, David M

2017-11-21

The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between adiabatic states. For all initial conditions investigated, the initial nonadiabatic electronic motion is driven towards the lower adiabatic state, and criteria for this directed motion are discussed.

Surveillance system and method having an adaptive sequential probability fault detection test

NASA Technical Reports Server (NTRS)

Herzog, James P. (Inventor); Bickford, Randall L. (Inventor)

2005-01-01

System and method providing surveillance of an asset such as a process and/or apparatus by providing training and surveillance procedures that numerically fit a probability density function to an observed residual error signal distribution that is correlative to normal asset operation and then utilizes the fitted probability density function in a dynamic statistical hypothesis test for providing improved asset surveillance.

Surveillance system and method having an adaptive sequential probability fault detection test

NASA Technical Reports Server (NTRS)

Bickford, Randall L. (Inventor); Herzog, James P. (Inventor)

2006-01-01

System and method providing surveillance of an asset such as a process and/or apparatus by providing training and surveillance procedures that numerically fit a probability density function to an observed residual error signal distribution that is correlative to normal asset operation and then utilizes the fitted probability density function in a dynamic statistical hypothesis test for providing improved asset surveillance.

Surveillance System and Method having an Adaptive Sequential Probability Fault Detection Test

NASA Technical Reports Server (NTRS)

Bickford, Randall L. (Inventor); Herzog, James P. (Inventor)

2008-01-01

System and method providing surveillance of an asset such as a process and/or apparatus by providing training and surveillance procedures that numerically fit a probability density function to an observed residual error signal distribution that is correlative to normal asset operation and then utilizes the fitted probability density function in a dynamic statistical hypothesis test for providing improved asset surveillance.

Simple gain probability functions for large reflector antennas of JPL/NASA

NASA Technical Reports Server (NTRS)

Jamnejad, V.

2003-01-01

Simple models for the patterns as well as their cumulative gain probability and probability density functions of the Deep Space Network antennas are developed. These are needed for the study and evaluation of interference from unwanted sources such as the emerging terrestrial system, High Density Fixed Service, with the Ka-band receiving antenna systems in Goldstone Station of the Deep Space Network.

A Mapping of the Electron Localization Function for Earth Materials

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

Gibbs, Gerald V.; Cox, David F.; Ross, Nancy

2005-06-01

The electron localization function, ELF, generated for a number of geometry-optimized earth materials, provides a graphical representation of the spatial localization of the probability electron density distribution as embodied in domains ascribed to localized bond and lone pair electrons. The lone pair domains, displayed by the silica polymorphs quartz, coesite and cristobalite, are typically banana-shaped and oriented perpendicular to the plane of the SiOSi angle at ~0.60 Å from the O atom on the reflex side of the angle. With decreasing angle, the domains increase in magnitude, indicating an increase in the nucleophilic character of the O atom, rendering itmore » more susceptible to potential electrophilic attack. The Laplacian isosurface maps of the experimental and theoretical electron density distribution for coesite substantiates the increase in the size of the domain with decreasing angle. Bond pair domains are displayed along each of the SiO bond vectors as discrete concave hemispherically-shaped domains at ~0.70 Å from the O atom. For more closed-shell ionic bonded interactions, the bond and lone pair domains are often coalesced, resulting in concave hemispherical toroidal-shaped domains with local maxima centered along the bond vectors. As the shared covalent character of the bonded interactions increases, the bond and lone pair domains are better developed as discrete domains. ELF isosurface maps generated for the earth materials tremolite, diopside, talc and dickite display banana-shaped lone pair domains associated with the bridging O atoms of SiOSi angles and concave hemispherical toroidal bond pair domains associated with the nonbridging ones. The lone pair domains in dickite and talc provide a basis for understanding the bonded interactions between the adjacent neutral layers. Maps were also generated for beryl, cordierite, quartz, low albite, forsterite, wadeite, åkermanite, pectolite, periclase, hurlbutite, thortveitite and vanthoffite. Strategies are reviewed for finding potential H docking sites in the silica polymorphs and related materials. As observed in an earlier study, the ELF is capable of generating bond and lone pair domains that are similar in number and arrangement to those provided by Laplacian and deformation electron density distributions. The formation of the bond and lone pair domains in the silica polymorphs and the progressive decrease in the SiO length as the value of the electron density at the bond critical point increases indicates that the SiO bonded interaction has a substantial component of covalent character.« less

Excitation rate coefficients and line ratios for the optical and ultraviolet transitions in S II

NASA Technical Reports Server (NTRS)

Cai, Wei; Pradhan, Anil K.

1993-01-01

New calculations are reported for electron excitation collision strengths, rate coefficients, transition probabilities, and line ratios for the astrophysically important optical and UV lines in S II. The collision strengths are calculated in the close coupling approximation using the R-matrix method. The present calculations are more extensive than previous ones, including all transitions among the 12 lowest LS terms and the corresponding 28 fine-structure levels in the collisional-radiative model for S II. While the present rate coefficients for electron impact excitation are within 10-30 percent of the previous values for the low-lying optical transitions employed as density diagnostics of H II regions and nebulae, the excitation rates for the UV transitions 4S super 0 sub 3/2 - 4Psub 1/2,3/2,5/2 differ significantly from earlier calculations, by up to factor of 2. We describe temperature and density sensitive flux ratios for a number of UV lines. The present UV results are likely to be of interest in a more accurate interpretation of S II emission from the Io plasma torus in the magnetosphere of Jupiter, as well as other UV sources observed from the IUE, ASTRO 1, and the HST.

Investigation of the Fe{sup 3+} centers in perovskite KMgF{sub 3} through a combination of ab initio (density functional theory) and semi-empirical (superposition model) calculations

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

Emül, Y.; Department of Software Engineering, Cumhuriyet University, 58140 Sivas; Erbahar, D.

2015-08-14

Analyses of the local crystal and electronic structure in the vicinity of Fe{sup 3+} centers in perovskite KMgF{sub 3} crystal have been carried out in a comprehensive manner. A combination of density functional theory (DFT) and a semi-empirical superposition model (SPM) is used for a complete analysis of all Fe{sup 3+} centers in this study for the first time. Some quantitative information has been derived from the DFT calculations on both the electronic structure and the local geometry around Fe{sup 3+} centers. All of the trigonal (K-vacancy case, K-Li substitution case, and normal trigonal Fe{sup 3+} center case), FeF{sub 5}Omore » cluster, and tetragonal (Mg-vacancy and Mg-Li substitution cases) centers have been taken into account based on the previously suggested experimental and theoretical inferences. The collaboration between the experimental data and the results of both DFT and SPM calculations provides us to understand most probable structural model for Fe{sup 3+} centers in KMgF{sub 3}.« less

The formation mechanisms of positive and negative ionospheric storm effects in the F region at high-, mid-and low-latitudes

NASA Astrophysics Data System (ADS)

Klimenko, Maxim; Klimenko, Vladimir

Ionospheric storm is associated with the chain of events and phenomena in space environment, beginning at the Sun transmitted through the magnetosphere into the thermosphere-ionosphere system. On the electron density disturbances in the F region the ionospheric storms are classified into positive and negative. In particular a sign of ionospheric disturbances depends on considered latitudes. So in the high-latitude ionosphere the negative effects in electron density are formed most frequently and at mid- and low-latitudes the probability of a positive ionospheric storm increases. Previously performed the theoretical and experimental investigations of positive and negative ionospheric storms allowed to explain many aspects of ionospheric disturbances at different latitudes and their formation mechanisms. However, there are still some important differences and outstanding questions in the formation of these disturbances, which answers can be obtained, for example, using the Global Self-consistent Model of the Thermosphere, Ionosphere and Protonosphere (GSM TIP). The GSM TIP model calculation results revealed the role of various mechanisms of ionospheric disturbances at low-, mid- and high-latitudes during geomagnetic storms on September 26-29, 2011. These investigations were supported by RFBR Grant No. 14-05-00578 and RAS Program 22.

Estimating the population size and colony boundary of subterranean termites by using the density functions of directionally averaged capture probability.

PubMed

Su, Nan-Yao; Lee, Sang-Hee

2008-04-01

Marked termites were released in a linear-connected foraging arena, and the spatial heterogeneity of their capture probabilities was averaged for both directions at distance r from release point to obtain a symmetrical distribution, from which the density function of directionally averaged capture probability P(x) was derived. We hypothesized that as marked termites move into the population and given sufficient time, the directionally averaged capture probability may reach an equilibrium P(e) over the distance r and thus satisfy the equal mixing assumption of the mark-recapture protocol. The equilibrium capture probability P(e) was used to estimate the population size N. The hypothesis was tested in a 50-m extended foraging arena to simulate the distance factor of field colonies of subterranean termites. Over the 42-d test period, the density functions of directionally averaged capture probability P(x) exhibited four phases: exponential decline phase, linear decline phase, equilibrium phase, and postequilibrium phase. The equilibrium capture probability P(e), derived as the intercept of the linear regression during the equilibrium phase, correctly projected N estimates that were not significantly different from the known number of workers in the arena. Because the area beneath the probability density function is a constant (50% in this study), preequilibrium regression parameters and P(e) were used to estimate the population boundary distance 1, which is the distance between the release point and the boundary beyond which the population is absent.

Electronic energy density in chemical reaction systems

NASA Astrophysics Data System (ADS)

Tachibana, Akitomo

2001-08-01

The energy of chemical reaction is visualized in real space using the electronic energy density nE(r⃗) associated with the electron density n(r⃗). The electronic energy density nE(r⃗) is decomposed into the kinetic energy density nT(r⃗), the external potential energy density nV(r⃗), and the interelectron potential energy density nW(r⃗). Using the electronic energy density nE(r⃗) we can pick up any point in a chemical reaction system and find how the electronic energy E is assigned to the selected point. We can then integrate the electronic energy density nE(r⃗) in any region R surrounding the point and find out the regional electronic energy ER to the global E. The kinetic energy density nT(r⃗) is used to identify the intrinsic shape of the reactants, the electronic transition state, and the reaction products along the course of the chemical reaction coordinate. The intrinsic shape is identified with the electronic interface S that discriminates the region RD of the electronic drop from the region RA of the electronic atmosphere in the density distribution of the electron gas. If the R spans the whole space, then the integral gives the total E. The regional electronic energy ER in thermodynamic ensemble is realized in electrochemistry as the intrinsic Volta electric potential φR and the intrinsic Herring-Nichols work function ΦR. We have picked up first a hydrogen-like atom for which we have analytical exact expressions of the relativistic kinetic energy density nTM(r⃗) and its nonrelativistic version nT(r⃗). These expressions are valid for any excited bound states as well as the ground state. Second, we have selected the following five reaction systems and show the figures of the nT(r⃗) as well as the other energy densities along the intrinsic reaction coordinates: a protonation reaction to He, addition reactions of HF to C2H4 and C2H2, hydrogen abstraction reactions of NH3+ from HF and NH3. Valence electrons possess their unique delocalized drop region remote from those heavily localized drop regions adhered to core electrons. The kinetic energy density nT(r⃗) and the tension density τ⃗S(r⃗) can vividly demonstrate the formation of the chemical bond. Various basic chemical concepts in these chemical reaction systems have been clearly visualized in real three-dimensional space.

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

Garnier, D. T.; Mauel, M. E.; Roberts, T. M.

Here, we report measurements of the turbulent evolution of the plasma density profile following the fast injection of lithium pellets into the Levitated Dipole Experiment (LDX) [Boxer et al., Nat. Phys. 6, 207 (2010)]. As the pellet passes through the plasma, it provides a significant internal particle source and allows investigation of density profile evolution, turbulent relaxation, and turbulent fluctuations. The total electron number within the dipole plasma torus increases by more than a factor of three, and the central density increases by more than a factor of five. During these large changes in density, the shape of the densitymore » profile is nearly “stationary” such that the gradient of the particle number within tubes of equal magnetic flux vanishes. In comparison to the usual case, when the particle source is neutral gas at the plasma edge, the internal source from the pellet causes the toroidal phase velocity of the fluctuations to reverse and changes the average particle flux at the plasma edge. An edge particle source creates an inward turbulent pinch, but an internal particle source increases the outward turbulent particle flux. Statistical properties of the turbulence are measured by multiple microwave interferometers and by an array of probes at the edge. The spatial structures of the largest amplitude modes have long radial and toroidal wavelengths. Estimates of the local and toroidally averaged turbulent particle flux show intermittency and a non-Gaussian probability distribution function. The measured fluctuations, both before and during pellet injection, have frequency and wave number dispersion consistent with theoretical expectations for interchange and entropy modes excited within a dipole plasma torus having warm electrons and cool ions.« less

Electronic specific heat and low-energy quasiparticle excitations in the superconducting state of La2-xSrxCuO4 single crystals

NASA Astrophysics Data System (ADS)

Wen, Hai-Hu; Liu, Zhi-Yong; Zhou, Fang; Xiong, Jiwu; Ti, Wenxing; Xiang, Tao; Komiya, Seiki; Sun, Xuefeng; Ando, Yoichi

2004-12-01

Low-temperature specific heat has been measured and extensively analyzed on a series of La2-xSrxCuO4 single crystals from underdoped to overdoped regime. From these data the quasiparticle density of state in the mixed state is derived and compared to the predicted scaling law Cvol/TH=f(T/H) of d -wave superconductivity. It is found that the scaling law can be nicely followed by the optimally doped sample (x=0.15) in quite a wide region of (T/H⩽8K/T) . However, the region for this scaling becomes smaller and smaller toward more underdoped region: a clear trend can be seen for samples from x=0.15to0.069 . Therefore, generally speaking, the scaling quality becomes worse on the underdoped samples in terms of scalable region of T/H . This feature in the underdoped region is explained as due to the low-energy excitations from a second order (for example, antiferromagnetic correlation, d -density wave, spin-density wave, or charge-density wave order) that may coexist or compete with superconductivity. Surprisingly, deviations from the d -wave scaling law have also been found for the overdoped sample (x=0.22) , while the scaling law is reconciled for the overdoped sample, when the core size effect is taken into account. An important discovery of present work is that the zero-temperature data follow the Volovik’s relation Δγ(T=0)=AH quite well for all samples investigated here; although the applicability of the d -wave scaling law to the data at finite temperatures varies with doped-hole concentration. We also present the doping dependence of some parameters, such as the residual linear term γ0 , the α value, etc. It is suggested that the residual linear term (γ0T) of the electronic specific heat observed in all cuprate superconductors is probably due to the inhomogeneity, either chemical or electronic in origin. The field-induced reduction of the specific heat in the mixed state is also reported. Finally, implications on the electronic phase diagram are suggested.

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

DTIC Science & Technology

2016-11-01

a few nanoseconds. The challenge remains to diagnose plasmas via the free electron density in this short window of time and often in a small volume ...Free Electron Density in Laser-Produced Plasmas by Anthony R Valenzuela Approved for public release; distribution is...US Army Research Laboratory Shack-Hartmann Electron Densitometer (SHED): An Optical System for Diagnosing Free Electron Density in Laser

Comparison of methods for estimating density of forest songbirds from point counts

Treesearch

Jennifer L. Reidy; Frank R. Thompson; J. Wesley. Bailey

2011-01-01

New analytical methods have been promoted for estimating the probability of detection and density of birds from count data but few studies have compared these methods using real data. We compared estimates of detection probability and density from distance and time-removal models and survey protocols based on 5- or 10-min counts and outer radii of 50 or 100 m. We...

Modification of Lightweight Aggregates' Microstructure by Used Motor Oil Addition.

PubMed

Franus, Małgorzata; Jozefaciuk, Grzegorz; Bandura, Lidia; Lamorski, Krzysztof; Hajnos, Mieczysław; Franus, Wojciech

2016-10-18

An admixture of lightweight aggregate substrates (beidellitic clay containing 10 wt % of natural clinoptilolite or Na-P1 zeolite) with used motor oil (1 wt %-8 wt %) caused marked changes in the aggregates' microstructure, measured by a combination of mercury porosimetry (MIP), microtomography (MT), and scanning electron microscopy. Maximum porosity was produced at low (1%-2%) oil concentrations and it dropped at higher concentrations, opposite to the aggregates' bulk density. Average pore radii, measured by MIP, decreased with an increasing oil concentration, whereas larger (MT) pore sizes tended to increase. Fractal dimension, derived from MIP data, changed similarly to the MIP pore radius, while that derived from MT remained unaltered. Solid phase density, measured by helium pycnometry, initially dropped slightly and then increased with the amount of oil added, which was most probably connected to changes in the formation of extremely small closed pores that were not available for He atoms.

Modification of Lightweight Aggregates’ Microstructure by Used Motor Oil Addition

PubMed Central

Franus, Małgorzata; Jozefaciuk, Grzegorz; Bandura, Lidia; Lamorski, Krzysztof; Hajnos, Mieczysław; Franus, Wojciech

2016-01-01

An admixture of lightweight aggregate substrates (beidellitic clay containing 10 wt % of natural clinoptilolite or Na-P1 zeolite) with used motor oil (1 wt %–8 wt %) caused marked changes in the aggregates’ microstructure, measured by a combination of mercury porosimetry (MIP), microtomography (MT), and scanning electron microscopy. Maximum porosity was produced at low (1%–2%) oil concentrations and it dropped at higher concentrations, opposite to the aggregates’ bulk density. Average pore radii, measured by MIP, decreased with an increasing oil concentration, whereas larger (MT) pore sizes tended to increase. Fractal dimension, derived from MIP data, changed similarly to the MIP pore radius, while that derived from MT remained unaltered. Solid phase density, measured by helium pycnometry, initially dropped slightly and then increased with the amount of oil added, which was most probably connected to changes in the formation of extremely small closed pores that were not available for He atoms. PMID:28773964

Efforts to identify Te-rich nano-islands in ZnSe

NASA Astrophysics Data System (ADS)

Lau, June W.; Volkov, Vyacheslav V.; Zhu, Yimei; Kuskovsky, Igor L.; Neumark, Gertrude F.; Lin, W.; Maksimov, Oleg; Tamargo, Maria C.

2002-03-01

Much work has been done on the study of nano-island formation (“dopants”) in various systems by use of electron microscopy, often complemented by x-ray microanalysis [1]. This works well for systems involving one or more monolayers of dopants. Our system consists of Te and N dopants incorporated into ZnSe in sub-monolayer quantities [2]. This presents a challenge; our calculations show that this case is probably below the detection limit of x-ray microanalysis. Our samples do show strain contrasts but we were unable to obtain direct confirmation of nano-islands’ existence. As an alternative, dark field images from chemically sensitively reflections were used in volumetric defect density studies. The defect density in the doped samples was higher than that of the undoped samples. 1. Dorin C., U of Mich. Poster presentation at Fall MRS meeting 2001 2. Lin et al., Apple. Phys. Let., 76, 2205 (2000).

Electron dynamics in high energy density plasma bunch generation driven by intense picosecond laser pulse

NASA Astrophysics Data System (ADS)

Li, M.; Yuan, T.; Xu, Y. X.; Luo, S. N.

2018-05-01

When an intense picosecond laser pulse is loaded upon a dense plasma, a high energy density plasma bunch, including electron bunch and ion bunch, can be generated in the target. We simulate this process through one-dimensional particle-in-cell simulation and find that the electron bunch generation is mainly due to a local high energy density electron sphere originated in the plasma skin layer. Once generated the sphere rapidly expands to compress the surrounding electrons and induce high density electron layer, coupled with that, hot electrons are efficiently triggered in the local sphere and traveling in the whole target. Under the compressions of light pressure, forward-running and backward-running hot electrons, a high energy density electron bunch generates. The bunch energy density is as high as TJ/m3 order of magnitude in our conditions, which is significant in laser driven dynamic high pressure generation and may find applications in high energy density physics.

First-principles investigation of the dissociation and coupling of methane on small copper clusters: Interplay of collision dynamics and geometric and electronic effects

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

Varghese, Jithin J.; Mushrif, Samir H., E-mail: shmushrif@ntu.edu.sg

Small metal clusters exhibit unique size and morphology dependent catalytic activity. The search for alternate minimum energy pathways and catalysts to transform methane to more useful chemicals and carbon nanomaterials led us to investigate collision induced dissociation of methane on small Cu clusters. We report here for the first time, the free energy barriers for the collision induced activation, dissociation, and coupling of methane on small Cu clusters (Cu{sub n} where n = 2–12) using ab initio molecular dynamics and metadynamics simulations. The collision induced activation of the stretching and bending vibrations of methane significantly reduces the free energy barriermore » for its dissociation. Increase in the cluster size reduces the barrier for dissociation of methane due to the corresponding increase in delocalisation of electron density within the cluster, as demonstrated using the electron localisation function topology analysis. This enables higher probability of favourable alignment of the C–H stretching vibration of methane towards regions of high electron density within the cluster and makes higher number of sites available for the chemisorption of CH{sub 3} and H upon dissociation. These characteristics contribute in lowering the barrier for dissociation of methane. Distortion and reorganisation of cluster geometry due to high temperature collision dynamics disturb electron delocalisation within them and increase the barrier for dissociation. Coupling reactions of CH{sub x} (x = 1–3) species and recombination of H with CH{sub x} have free energy barriers significantly lower than complete dehydrogenation of methane to carbon. Thus, competition favours the former reactions at high hydrogen saturation on the clusters.« less

Local description of a polyenic radical cation

NASA Astrophysics Data System (ADS)

Karafiloglou, P.; Kapsomenos, G.

1995-06-01

The various local electronic events occurring in a radical cation of a linear polyene with even number of centers are investigated by means of the calculation of the expectation values of second quantized density operators, in the framework of the general poly-electron population analysis. Two series of calculations in two limit geometries (a strong alternant and a polaron-like one) are performed by using as analysers both natural AOs in ab initio correlated wave functions, as well as the model orthogonal AOs in PPP + full CI ones. The probabilities of finding simultaneously the positive charge (+) and the radical center (·) follows, in accord with basic chemical intuition, an oscillating (even-odd) law, even at distant AO positions. The probability of having a transmission of the (+) charge through the π-bonds (when the (·) is located in one extremity of the polyene) is greater than this of the transmission of the (·). Comparing the radical cation with the parent polyene, it is shown that oxidation creates an important trend of single-double bond inversion even in strongly alternant geometry; this effect is more pronounced in bonds of the middle. The examination of various CDW structures shows that some of them can have small or negligible contributions; this counterintuitive and cooperative effect is rationalized by means of Moffitt's theorem. All the above effects are not the consequence of the polaron-like geometry, but are controlled from the topology of n-centers linearly disposed and involving ( n-1) electrons.

Correlations between U.S. county annual cancer incidence and population density.

PubMed

Vares, David Ae; St-Pierre, Linda S; Persinger, Michael A

2015-01-01

Population density implicitly involves specific distances between living individuals who exhibit biophysical forces and energies. Objective was to investigate major data bases of cancer incidence and population data to help understand the emergent properties of diseases that become apparent only when large populations and areas are considered. Correlation analyses of the annual incidence (years 2007 to 2011) of cancer in counties (2,885) of the U.S. and population densities were convergent with these quantitative predictions and suggested an inflection threshold around 50 people per square mile. The potential role of subtle or even "non-local" factors coupled to averaged population density in the viability and mortality of the human species may serve as alternative explanations to the attribution of malignancy to "chance" factors. Calculations indicated average distances between the electric force dipole of the brains or bodies of human beings generate forces known to affect DNA extension and when distributed over the Compton wavelength of the electron could produce energies sufficient to affect the binding of base nucleotides. An inclusive science of human ecology might benefit from considering subtle forces and energies associated with the individual members within the habitat that could determine the probability of cellular anomalies.

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

Popovich, P.; Carter, T. A.; Friedman, B.

Numerical simulation of plasma turbulence in the Large Plasma Device (LAPD) [W. Gekelman, H. Pfister, Z. Lucky et al., Rev. Sci. Instrum. 62, 2875 (1991)] is presented. The model, implemented in the BOUndary Turbulence code [M. Umansky, X. Xu, B. Dudson et al., Contrib. Plasma Phys. 180, 887 (2009)], includes three-dimensional (3D) collisional fluid equations for plasma density, electron parallel momentum, and current continuity, and also includes the effects of ion-neutral collisions. In nonlinear simulations using measured LAPD density profiles but assuming constant temperature profile for simplicity, self-consistent evolution of instabilities and nonlinearly generated zonal flows results in a saturatedmore » turbulent state. Comparisons of these simulations with measurements in LAPD plasmas reveal good qualitative and reasonable quantitative agreement, in particular in frequency spectrum, spatial correlation, and amplitude probability distribution function of density fluctuations. For comparison with LAPD measurements, the plasma density profile in simulations is maintained either by direct azimuthal averaging on each time step, or by adding particle source/sink function. The inferred source/sink values are consistent with the estimated ionization source and parallel losses in LAPD. These simulations lay the groundwork for more a comprehensive effort to test fluid turbulence simulation against LAPD data.« less

Effects of fiber density and plasma modification of nanofibrous membranes on the adhesion and growth of HaCaT keratinocytes.

PubMed

Bacakova, Marketa; Lopot, Frantisek; Hadraba, Daniel; Varga, Marian; Zaloudkova, Margit; Stranska, Denisa; Suchy, Tomas; Bacakova, Lucie

2015-01-01

It may be possible to regulate the cell colonization of biodegradable polymer nanofibrous membranes by plasma treatment and by the density of the fibers. To test this hypothesis, nanofibrous membranes of different fiber densities were treated by oxygen plasma with a range of plasma power and exposure times. Scanning electron microscopy and mechanical tests showed significant modification of nanofibers after plasma treatment. The intensity of the fiber modification increased with plasma power and exposure time. The exposure time seemed to have a stronger effect on modifying the fiber. The mechanical behavior of the membranes was influenced by the plasma treatment, the fiber density, and their dry or wet state. Plasma treatment increased the membrane stiffness; however, the membranes became more brittle. Wet membranes displayed significantly lower stiffness than dry membranes. X-ray photoelectron spectroscopy (XPS) analysis showed a slight increase in oxygen-containing groups on the membrane surface after plasma treatment. Plasma treatment enhanced the adhesion and growth of HaCaT keratinocytes on nanofibrous membranes. The cells adhered and grew preferentially on membranes of lower fiber densities, probably due to the larger area of void spaces between the fibers. © The Author(s) 2014 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.

Electron-hole pair effects in methane dissociative chemisorption on Ni(111)

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

Luo, Xuan; Jiang, Bin, E-mail: bjiangch@ustc.edu.cn; Juaristi, J. Iñaki

The dissociative chemisorption of methane on metal surfaces has attracted much attention in recent years as a prototype of gas-surface reactions in understanding the mode specific and bond selective chemistry. In this work, we systematically investigate the influence of electron-hole pair excitations on the dissociative chemisorption of CH{sub 4}/CH{sub 3}D/CHD{sub 3} on Ni(111). The energy dissipation induced by surface electron-hole pair excitations is modeled as a friction force introduced in the generalized Langevin equation, in which the independent atomic friction coefficients are determined within the local-density friction approximation. Quasi-classical trajectory calculations for CH{sub 4}/CH{sub 3}D/CHD{sub 3} have been carried outmore » on a recently developed twelve-dimensional potential energy surface. Comparing the dissociation probabilities obtained with and without friction, our results clearly indicate that the electron-hole pair effects are generally small, both on absolute reactivity of each vibrational state and on the mode specificity and bond selectivity. Given similar observations in both water and methane dissociation processes, we conclude that electron-hole pair excitations would not play an important role as long as the reaction is direct and the interaction time between the molecule and metal electrons is relatively short.« less

Kinetic and spectral descriptions of autoionization phenomena associated with atomic processes in plasmas

NASA Astrophysics Data System (ADS)

Jacobs, Verne L.

2017-06-01

This investigation has been devoted to the theoretical description and computer modeling of atomic processes giving rise to radiative emission in energetic electron and ion beam interactions and in laboratory plasmas. We are also interested in the effects of directed electron and ion collisions and of anisotropic electric and magnetic fields. In the kinetic-theory description, we treat excitation, de-excitation, ionization, and recombination in electron and ion encounters with partially ionized atomic systems, including the indirect contributions from processes involving autoionizing resonances. These fundamental collisional and electromagnetic interactions also provide particle and photon transport mechanisms. From the spectral perspective, the analysis of atomic radiative emission can reveal detailed information on the physical properties in the plasma environment, such as non-equilibrium electron and charge-state distributions as well as electric and magnetic field distributions. In this investigation, a reduced-density-matrix formulation is developed for the microscopic description of atomic electromagnetic interactions in the presence of environmental (collisional and radiative) relaxation and decoherence processes. Our central objective is a fundamental microscopic description of atomic electromagnetic processes, in which both bound-state and autoionization-resonance phenomena can be treated in a unified and self-consistent manner. The time-domain (equation-of-motion) and frequency-domain (resolvent-operator) formulations of the reduced-density-matrix approach are developed in a unified and self-consistent manner. This is necessary for our ultimate goal of a systematic and self-consistent treatment of non-equilibrium (possibly coherent) atomic-state kinetics and high-resolution (possibly overlapping) spectral-line shapes. We thereby propose the introduction of a generalized collisional-radiative atomic-state kinetics model based on a reduced-density-matrix formulation. It will become apparent that the full atomic data needs for the precise modeling of extreme non-equilibrium plasma environments extend beyond the conventional radiative-transition-probability and collisional-cross-section data sets.

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

PubMed

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

2017-12-15

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

High power heating of magnetic reconnection in merging tokamak experiments

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

Ono, Y.; Tanabe, H.; Gi, K.

2015-05-15

Significant ion/electron heating of magnetic reconnection up to 1.2 keV was documented in two spherical tokamak plasma merging experiment on MAST with the significantly large Reynolds number R∼10{sup 5}. Measured 1D/2D contours of ion and electron temperatures reveal clearly energy-conversion mechanisms of magnetic reconnection: huge outflow heating of ions in the downstream and localized heating of electrons at the X-point. Ions are accelerated up to the order of poloidal Alfven speed in the reconnection outflow region and are thermalized by fast shock-like density pileups formed in the downstreams, in agreement with recent solar satellite observations and PIC simulation results. The magneticmore » reconnection efficiently converts the reconnecting (poloidal) magnetic energy mostly into ion thermal energy through the outflow, causing the reconnection heating energy proportional to square of the reconnecting (poloidal) magnetic field B{sub rec}{sup 2}  ∼  B{sub p}{sup 2}. The guide toroidal field B{sub t} does not affect the bulk heating of ions and electrons, probably because the reconnection/outflow speeds are determined mostly by the external driven inflow by the help of another fast reconnection mechanism: intermittent sheet ejection. The localized electron heating at the X-point increases sharply with the guide toroidal field B{sub t}, probably because the toroidal field increases electron confinement and acceleration length along the X-line. 2D measurements of magnetic field and temperatures in the TS-3 tokamak merging experiment also reveal the detailed reconnection heating mechanisms mentioned above. The high-power heating of tokamak merging is useful not only for laboratory study of reconnection but also for economical startup and heating of tokamak plasmas. The MAST/TS-3 tokamak merging with B{sub p} > 0.4 T will enables us to heat the plasma to the alpha heating regime: T{sub i} > 5 keV without using any additional heating facility.« less

DCMDN: Deep Convolutional Mixture Density Network

NASA Astrophysics Data System (ADS)

D'Isanto, Antonio; Polsterer, Kai Lars

2017-09-01

Deep Convolutional Mixture Density Network (DCMDN) estimates probabilistic photometric redshift directly from multi-band imaging data by combining a version of a deep convolutional network with a mixture density network. The estimates are expressed as Gaussian mixture models representing the probability density functions (PDFs) in the redshift space. In addition to the traditional scores, the continuous ranked probability score (CRPS) and the probability integral transform (PIT) are applied as performance criteria. DCMDN is able to predict redshift PDFs independently from the type of source, e.g. galaxies, quasars or stars and renders pre-classification of objects and feature extraction unnecessary; the method is extremely general and allows the solving of any kind of probabilistic regression problems based on imaging data, such as estimating metallicity or star formation rate in galaxies.

Heating of the solar middle chromosphere by large-scale electric currents

NASA Technical Reports Server (NTRS)

Goodman, M. L.

1995-01-01

A global resistive, two-dimensional, time-dependent magnetohydrodynamic (MHD) model is used to introduce and support the hypothesis that the quiet solar middle chromosphere is heated by resistive dissipation of large-scale electric currents which fill most of its volume. The scale height and maximum magnitude of the current density are 400 km and 31.3 m/sq m, respectively. The associated magnetic field is almost horizontal, has the same scale height as the current density, and has a maximum magnitude of 153 G. The current is carried by electrons flowing across magnetic field lines at 1 m/s. The resistivity is the electron contribution to the Pedersen resitivity for a weakly ionized, strongly magnetized, hydrogen gas. The model does not include a driving mechanism. Most of the physical quantities in the model decrease exponentially with time on a resistive timescale of 41.3 minutes. However, the initial values and spatial; dependence of these quantities are expected to be essentially the same as they would be if the correct driving mechanism were included in a more general model. The heating rate per unit mass is found to be 4.5 x 10(exp 9) ergs/g/s, independent of height and latitude. The electron density scale height is found to be 800 km. The model predicts that 90% of the thermal energy required to heat the middle chromosphere is deposited in the height range 300-760 km above the temperature minimum. It is shown to be consistent to assume that the radiation rate per unit volume is proportional to the magnetic energy density, and then it follows that the heating rate per unit volume is also proportional to the energy from the photosphere into the overlying chromosphere are briefly discussed as possible driving mechanisms for establishing and maintaining the current system. The case in which part of or all of the current is carried by protons and metal ions, and the contribution of electron-proton scattering to the current are also considered, with the conclusion that these effects do not change the qualitative prediction of the model, but probably change the quantitative predictions slightly, mainly by increasing the maximum magntiude of the current density and magnetic field to at most approximately 100 mA/m and approximately 484 G, respectively. The heating rate per unit mass, current density scale height, magnetic field scale height, temperatures, and pressures are unchanged or are only slightly changed by including these additional effects due to protons and ions.

Coulomb Impurity Problem of Graphene in Strong Coupling Regime in Magnetic Fields.

PubMed

Kim, S C; Yang, S-R Eric

2015-10-01

We investigate the Coulomb impurity problem of graphene in strong coupling limit in the presence of magnetic fields. When the strength of the Coulomb potential is sufficiently strong the electron of the lowest energy boundstate of the n = 0 Landau level may fall to the center of the potential. To prevent this spurious effect the Coulomb potential must be regularized. The scaling function for the inverse probability density of this state at the center of the impurity potential is computed in the strong coupling regime. The dependence of the computed scaling function on the regularization parameter changes significantly as the strong coupling regime is approached.

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.

On the Effect of Geomagnetic Storms on Relativistic Electrons in the Outer Radiation Belt: Van Allen Probes Observations

NASA Astrophysics Data System (ADS)

Moya, Pablo S.; Pinto, Víctor A.; Sibeck, David G.; Kanekal, Shrikanth G.; Baker, Daniel N.

2017-11-01

Using Van Allen Probes Energetic Particle, Composition, and Thermal Plasma-Relativistic Electron-Proton Telescope (ECT-REPT) observations, we performed a statistical study on the effect of geomagnetic storms on relativistic electrons fluxes in the outer radiation belt for 78 storms between September 2012 and June 2016. We found that the probability of enhancement, depletion, and no change in flux values depends strongly on L and energy. Enhancement events are more common for ˜2 MeV electrons at L ˜ 5, and the number of enhancement events decreases with increasing energy at any given L shell. However, considering the percentage of occurrence of each kind of event, enhancements are more probable at higher energies, and the probability of enhancement tends to increases with increasing L shell. Depletion are more probable for 4-5 MeV electrons at the heart of the outer radiation belt, and no-change events are more frequent at L < 3.5 for E ˜ 3 MeV particles. Moreover, for L > 4.5 the probability of enhancement, depletion, or no-change response presents little variation for all energies. Because these probabilities remain relatively constant as a function of radial distance in the outer radiation belt, measurements obtained at geosynchronous orbit may be used as a proxy to monitor E≥1.8 MeV electrons in the outer belt.

Magnetospheric electron density long-term (>1 day) refilling rates inferred from passive radio emissions measured by IMAGE RPI during geomagnetically quiet times

NASA Astrophysics Data System (ADS)

Denton, R. E.; Wang, Y.; Webb, P. A.; Tengdin, P. M.; Goldstein, J.; Redfern, J. A.; Reinisch, B. W.

2012-03-01

Using measurements of the electron density ne found from passive radio wave observations by the IMAGE spacecraft RPI instrument on consecutive passes through the magnetosphere, we calculate the long-term (>1 day) refilling rate of equatorial electron density dne,eq/dt from L = 2 to 9. Our events did not exhibit saturation, probably because our data set did not include a deep solar minimum and because saturation is an unusual occurrence, especially outside of solar minimum. The median rate in cm-3/day can be modeled with log10(dne,eq/dt) = 2.22 - 0.006L - 0.0347L2, while the third quartile rate can be modeled with log10(dne,eq/dt) = 3.39 - 0.353L, and the mean rate can be modeled as log10(dne,eq/dt) = 2.74 - 0.269L. These statistical values are found from the ensemble of all observed rates at each L value, including negative rates (decreases in density due to azimuthal structure or radial motion or for other reasons), in order to characterize the typical behavior. The first quartile rates are usually negative for L < 4.7 and close to zero for larger L values. Our rates are roughly consistent with previous observations of ion refilling at geostationary orbit. Most previous studies of refilling found larger refilling rates, but many of these examined a single event which may have exhibited unusually rapid refilling. Comparing refilling rates at solar maximum to those at solar minimum, we found that the refilling rate is larger at solar maximum for small L < 4, about the same at solar maximum and solar minimum for L = 4.2 to 5.8, and is larger at solar minimum for large L > 5.8 such as at geostationary orbit (L ˜ 6.8) (at least to L of about 8). These results agree with previous results for ion refilling at geostationary orbit, may agree with previous results at lower L, and are consistent with some trends for ionospheric density.

Semiannual and solar activity variations of daytime plasma observed by DEMETER in the ionosphere-plasmasphere transition region

NASA Astrophysics Data System (ADS)

Li, L. Y.; Cao, J. B.; Yang, J. Y.; Berthelier, J. J.; Lebreton, J.-P.

2015-12-01

Using the plasma data of Detection of Electro-Magnetic Emissions Transmitted from Earthquake Regions (DEMETER) satellite and the NRLMSISE-00 atmospheric model, we examined the semiannual and solar activity variations of the daytime plasma and neutral composition densities in the ionosphere-plasmasphere transition region (~670-710 km). The results demonstrate that the semiannually latitudinal variation of the daytime oxygen ions (O+) is basically controlled by that of neutral atomic oxygen (O), whereas the latitude distributions of the helium and hydrogen ions (He+ and H+) do not fully depend on the neutral atomic helium (He) and hydrogen (H). The summer enhancement of the heavy oxygen ions is consistent with the neutral O enhancement in the summer hemisphere, and the oxygen ion density has significantly the summer-dense and winter-tenuous hemispheric asymmetry with respect to the dip equator. Although the winter enhancements of the lighter He+ and H+ ions are also associated with the neutral He and H enhancements in the winter hemisphere, the high-density light ions (He+ and H+) and electrons (e-) mainly appear at the low and middle magnetic latitudes (|λ| < 50°). The equatorial accumulations of the light plasma species indicate that the light charged particles (He+, H+, and e-) are easily transported by some equatorward forces (e.g., the magnetic mirror force and centrifugal force). The frequent Coulomb collisions between the charged particles probably lead to the particle trappings at different latitudes. Moreover, the neutral composition densities also influence their ion concentrations during different solar activities. From the low-F10.7 year (2007-2008) to the high-F10.7 year (2004-2005), the daytime oxygen ions and electrons increase with the increasing neutral atomic oxygen, whereas the daytime hydrogen ions tend to decrease with the decreasing neutral atomic hydrogen. The helium ion density has no obvious solar activity variation, suggesting that the generation (via the neutral He photoionization) and loss (via the charge exchange with neutral nitrogen N2 and/or the recombination with electrons) of the daytime He+ ions are comparable during different solar activities.

Dynamic Graphics in Excel for Teaching Statistics: Understanding the Probability Density Function

ERIC Educational Resources Information Center

Coll-Serrano, Vicente; Blasco-Blasco, Olga; Alvarez-Jareno, Jose A.

2011-01-01

In this article, we show a dynamic graphic in Excel that is used to introduce an important concept in our subject, Statistics I: the probability density function. This interactive graphic seeks to facilitate conceptual understanding of the main aspects analysed by the learners.

Coincidence probability as a measure of the average phase-space density at freeze-out

NASA Astrophysics Data System (ADS)

Bialas, A.; Czyz, W.; Zalewski, K.

2006-02-01

It is pointed out that the average semi-inclusive particle phase-space density at freeze-out can be determined from the coincidence probability of the events observed in multiparticle production. The method of measurement is described and its accuracy examined.

Handling Density Conversion in TPS.

PubMed

Isobe, Tomonori; Mori, Yutaro; Takei, Hideyuki; Sato, Eisuke; Tadano, Kiichi; Kobayashi, Daisuke; Tomita, Tetsuya; Sakae, Takeji

2016-01-01

Conversion from CT value to density is essential to a radiation treatment planning system. Generally CT value is converted to the electron density in photon therapy. In the energy range of therapeutic photon, interactions between photons and materials are dominated with Compton scattering which the cross-section depends on the electron density. The dose distribution is obtained by calculating TERMA and kernel using electron density where TERMA is the energy transferred from primary photons and kernel is a volume considering spread electrons. Recently, a new method was introduced which uses the physical density. This method is expected to be faster and more accurate than that using the electron density. As for particle therapy, dose can be calculated with CT-to-stopping power conversion since the stopping power depends on the electron density. CT-to-stopping power conversion table is also called as CT-to-water-equivalent range and is an essential concept for the particle therapy.

Transparency of near-critical density plasmas under extreme laser intensities

NASA Astrophysics Data System (ADS)

Ji, Liangliang; Shen, Baifei; Zhang, Xiaomei

2018-05-01

We investigated transparency of near-critical plasma targets for highly intense incident lasers and discovered that beyond relativistic transparency, there exists an anomalous opacity regime, where the plasma target tend to be opaque at extreme light intensities. The unexpected phenomenon is found to originate from the trapping of ions under exotic conditions. We found out the propagation velocity and the amplitude of the laser-driven charge separation field in a large parameter range and derived the trapping probability of ions. The model successfully interpolates the emergence of anomalous opacity in simulations. The trend is more significant when radiation reaction comes into effect, leaving a transparency window in the intensity domain. Transparency of a plasma target defines the electron dynamics and thereby the emission mechanisms of gamma-photons in the ultra-relativistic regime. Our findings are not only of fundamental interest but also imply the proper mechanisms for generating desired electron/gamma sources.

Coordinate space translation technique for simulation of electronic process in the ion-atom collision.

PubMed

Wang, Feng; Hong, Xuhai; Wang, Jian; Kim, Kwang S

2011-04-21

Recently we developed a theoretical model of ion-atom collisions, which was made on the basis of a time-dependent density functional theory description of the electron dynamics and a classical treatment of the heavy particle motion. Taking advantage of the real-space grid method, we introduce a "coordinate space translation" technique to allow one to focus on a certain space of interest such as the region around the projectile or the target. Benchmark calculations are given for collisions between proton and oxygen over a wide range of impact energy. To extract the probability of charge transfer, the formulation of Lüdde and Dreizler [J. Phys. B 16, 3973 (1983)] has been generalized to ensemble-averaging application in the particular case of O((3)P). Charge transfer total cross sections are calculated, showing fairly good agreements between experimental data and present theoretical results.

Negative charge emission due to excimer laser bombardment of sodium trisilicate glass

NASA Astrophysics Data System (ADS)

Langford, S. C.; Jensen, L. C.; Dickinson, J. T.; Pederson, L. R.

1990-10-01

We describe measurements of negative charge emission accompanying irradiation of sodium trisilicate glass (Na2Oṡ3SiO2) with 248-nm excimer laser light at fluences on the order of 2 J/cm2 per pulse, i.e., at the threshold for ablative etching of the glass surface. The negative charge emission consists of a very prompt photoelectron burst coincident with the laser pulse, followed by a much slower plume of electrons and negative ions traveling with a high density cloud of positive ions, previously identified as primarily Na+. Using combinations of E and B fields in conjunction with time-of-flight methods, the negative ions were successfully separated from the plume and tentatively identified as O-, Si-, NaO-, and perhaps NaSi-. These negative species are probably formed by gas phase collisions in the near-surface region which result in electron attachment.

State-specific tunneling lifetimes from classical trajectories: H-atom dissociation in electronically excited pyrrole

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

Xie, Weiwei; Domcke, Wolfgang; Farantos, Stavros C.

A trajectory method of calculating tunneling probabilities from phase integrals along straight line tunneling paths, originally suggested by Makri and Miller [J. Chem. Phys. 91, 4026 (1989)] and recently implemented by Truhlar and co-workers [Chem. Sci. 5, 2091 (2014)], is tested for one- and two-dimensional ab initio based potentials describing hydrogen dissociation in the {sup 1}B{sub 1} excited electronic state of pyrrole. The primary observables are the tunneling rates in a progression of bending vibrational states lying below the dissociation barrier and their isotope dependences. Several initial ensembles of classical trajectories have been considered, corresponding to the quasiclassical and themore » quantum mechanical samplings of the initial conditions. It is found that the sampling based on the fixed energy Wigner density gives the best agreement with the quantum mechanical dissociation rates.« less

Effect of radial plasma transport at the magnetic throat on axial ion beam formation

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

Zhang, Yunchao, E-mail: yunchao.zhang@anu.edu.au; Charles, Christine; Boswell, Rod

2016-08-15

Correlation between radial plasma transport and formation of an axial ion beam has been investigated in a helicon plasma reactor implemented with a convergent-divergent magnetic nozzle. The plasma discharge is sustained under a high magnetic field mode and a low magnetic field mode for which the electron energy probability function, the plasma density, the plasma potential, and the electron temperature are measured at the magnetic throat, and the two field modes show different radial parametric behaviors. Although an axial potential drop occurs in the plasma source for both field modes, an ion beam is only observed in the high fieldmore » mode while not in the low field mode. The transport of energetic ions is characterized downstream of the plasma source using the delimited ion current and nonlocal ion current. A decay of ion beam strength is also observed in the diffusion chamber.« less

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

PubMed

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

2017-09-22

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

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

PubMed Central

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

2017-01-01

The resulting properties of parts fabricated by powder bed fusion additive manufacturing processes are determined by their porosity, local composition, and microstructure. The objective of this work is to examine the influence of the stochastic powder bed on the process window for dense parts by means of numerical simulation. The investigations demonstrate the unique capability of simulating macroscopic domains in the range of millimeters with a mesoscopic approach, which resolves the powder bed and the hydrodynamics of the melt pool. A simulated process window reveals the influence of the stochastic powder layer. The numerical results are verified with an experimental process window for selective electron beam-melted Ti-6Al-4V. Furthermore, the influence of the powder bulk density is investigated numerically. The simulations predict an increase in porosity and surface roughness for samples produced with lower powder bulk densities. Due to its higher probability for unfavorable powder arrangements, the process stability is also decreased. This shrinks the actual parameter range in a process window for producing dense parts. PMID:28937633

Novel density-based and hierarchical density-based clustering algorithms for uncertain data.

PubMed

Zhang, Xianchao; Liu, Han; Zhang, Xiaotong

2017-09-01

Uncertain data has posed a great challenge to traditional clustering algorithms. Recently, several algorithms have been proposed for clustering uncertain data, and among them density-based techniques seem promising for handling data uncertainty. However, some issues like losing uncertain information, high time complexity and nonadaptive threshold have not been addressed well in the previous density-based algorithm FDBSCAN and hierarchical density-based algorithm FOPTICS. In this paper, we firstly propose a novel density-based algorithm PDBSCAN, which improves the previous FDBSCAN from the following aspects: (1) it employs a more accurate method to compute the probability that the distance between two uncertain objects is less than or equal to a boundary value, instead of the sampling-based method in FDBSCAN; (2) it introduces new definitions of probability neighborhood, support degree, core object probability, direct reachability probability, thus reducing the complexity and solving the issue of nonadaptive threshold (for core object judgement) in FDBSCAN. Then, we modify the algorithm PDBSCAN to an improved version (PDBSCANi), by using a better cluster assignment strategy to ensure that every object will be assigned to the most appropriate cluster, thus solving the issue of nonadaptive threshold (for direct density reachability judgement) in FDBSCAN. Furthermore, as PDBSCAN and PDBSCANi have difficulties for clustering uncertain data with non-uniform cluster density, we propose a novel hierarchical density-based algorithm POPTICS by extending the definitions of PDBSCAN, adding new definitions of fuzzy core distance and fuzzy reachability distance, and employing a new clustering framework. POPTICS can reveal the cluster structures of the datasets with different local densities in different regions better than PDBSCAN and PDBSCANi, and it addresses the issues in FOPTICS. Experimental results demonstrate the superiority of our proposed algorithms over the existing algorithms in accuracy and efficiency. Copyright © 2017 Elsevier Ltd. All rights reserved.

X-Ray Sum Frequency Diffraction for Direct Imaging of Ultrafast Electron Dynamics

NASA Astrophysics Data System (ADS)

Rouxel, Jérémy R.; Kowalewski, Markus; Bennett, Kochise; Mukamel, Shaul

2018-06-01

X-ray diffraction from molecules in the ground state produces an image of their charge density, and time-resolved x-ray diffraction can thus monitor the motion of the nuclei. However, the density change of excited valence electrons upon optical excitation can barely be monitored with regular diffraction techniques due to the overwhelming background contribution of the core electrons. We present a nonlinear x-ray technique made possible by novel free electron laser sources, which provides a spatial electron density image of valence electron excitations. The technique, sum frequency generation carried out with a visible pump and a broadband x-ray diffraction pulse, yields snapshots of the transition charge densities, which represent the electron density variations upon optical excitation. The technique is illustrated by ab initio simulations of transition charge density imaging for the optically induced electronic dynamics in a donor or acceptor substituted stilbene.

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

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

Park, Min; Chang, Hong-Young; You, Shin-Jae

2011-10-15

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

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.

Quantum Jeffreys prior for displaced squeezed thermal states

NASA Astrophysics Data System (ADS)

Kwek, L. C.; Oh, C. H.; Wang, Xiang-Bin

1999-09-01

It is known that, by extending the equivalence of the Fisher information matrix to its quantum version, the Bures metric, the quantum Jeffreys prior can be determined from the volume element of the Bures metric. We compute the Bures metric for the displaced squeezed thermal state and analyse the quantum Jeffreys prior and its marginal probability distributions. To normalize the marginal probability density function, it is necessary to provide a range of values of the squeezing parameter or the inverse temperature. We find that if the range of the squeezing parameter is kept narrow, there are significant differences in the marginal probability density functions in terms of the squeezing parameters for the displaced and undisplaced situations. However, these differences disappear as the range increases. Furthermore, marginal probability density functions against temperature are very different in the two cases.

Correlation between Na/K ratio and electron densities in blood samples of breast cancer patients.

PubMed

Topdağı, Ömer; Toker, Ozan; Bakırdere, Sezgin; Bursalıoğlu, Ertuğrul Osman; Öz, Ersoy; Eyecioğlu, Önder; Demir, Mustafa; İçelli, Orhan

2018-05-31

The main purpose of this study was to investigate the relationship between the electron densities and Na/K ratio which has important role in breast cancer disease. Determinations of sodium and potassium concentrations in blood samples performed with inductive coupled plasma-atomic emission spectrometry. Electron density values of blood samples were determined via ZXCOM. Statistical analyses were performed for electron densities and Na/K ratio including Kolmogorov-Smirnov normality tests, Spearman's rank correlation test and Mann-Whitney U test. It was found that the electron densities significantly differ between control and breast cancer groups. In addition, statistically significant positive correlation was found between the electron density and Na/K ratios in breast cancer group.

Identification of Stochastically Perturbed Autonomous Systems from Temporal Sequences of Probability Density Functions

NASA Astrophysics Data System (ADS)

Nie, Xiaokai; Luo, Jingjing; Coca, Daniel; Birkin, Mark; Chen, Jing

2018-03-01

The paper introduces a method for reconstructing one-dimensional iterated maps that are driven by an external control input and subjected to an additive stochastic perturbation, from sequences of probability density functions that are generated by the stochastic dynamical systems and observed experimentally.

Digital simulation of two-dimensional random fields with arbitrary power spectra and non-Gaussian probability distribution functions.

PubMed

Yura, Harold T; Hanson, Steen G

2012-04-01

Methods for simulation of two-dimensional signals with arbitrary power spectral densities and signal amplitude probability density functions are disclosed. The method relies on initially transforming a white noise sample set of random Gaussian distributed numbers into a corresponding set with the desired spectral distribution, after which this colored Gaussian probability distribution is transformed via an inverse transform into the desired probability distribution. In most cases the method provides satisfactory results and can thus be considered an engineering approach. Several illustrative examples with relevance for optics are given.

A Modeling and Data Analysis of Laser Beam Propagation in the Maritime Domain

DTIC Science & Technology

2015-05-18

approach to computing pdfs is the Kernel Density Method (Reference [9] has an intro - duction to the method), which we will apply to compute the pdf of our...The project has two parts to it: 1) we present a computational analysis of different probability density function approximation techniques; and 2) we... computational analysis of different probability density function approximation techniques; and 2) we introduce preliminary steps towards developing a

A photoemission moments model using density functional and transfer matrix methods applied to coating layers on surfaces: Theory

NASA Astrophysics Data System (ADS)

Jensen, Kevin L.; Finkenstadt, Daniel; Shabaev, Andrew; Lambrakos, Samuel G.; Moody, Nathan A.; Petillo, John J.; Yamaguchi, Hisato; Liu, Fangze

2018-01-01

Recent experimental measurements of a bulk material covered with a small number of graphene layers reported by Yamaguchi et al. [NPJ 2D Mater. Appl. 1, 12 (2017)] (on bialkali) and Liu et al. [Appl. Phys. Lett. 110, 041607 (2017)] (on copper) and the needs of emission models in beam optics codes have lead to substantial changes in a Moments model of photoemission. The changes account for (i) a barrier profile and density of states factor based on density functional theory (DFT) evaluations, (ii) a Drude-Lorentz model of the optical constants and laser penetration depth, and (iii) a transmission probability evaluated by an Airy Transfer Matrix Approach. Importantly, the DFT results lead to a surface barrier profile of a shape similar to both resonant barriers and reflectionless wells: the associated quantum mechanical transmission probabilities are shown to be comparable to those recently required to enable the Moments (and Three Step) model to match experimental data but for reasons very different than the assumption by conventional wisdom that a barrier is responsible. The substantial modifications of the Moments model components, motivated by computational materials methods, are developed. The results prepare the Moments model for use in treating heterostructures and discrete energy level systems (e.g., quantum dots) proposed for decoupling the opposing metrics of performance that undermine the performance of advanced light sources like the x-ray Free Electron Laser. The consequences of the modified components on quantum yield, emittance, and emission models needed by beam optics codes are discussed.

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/.

Near Real Time Tools for ISS Plasma Science and Engineering Applications

NASA Technical Reports Server (NTRS)

Minow, Joseph I.; Willis, Emily M.; Parker, Linda Neergaard; Shim, Ja Soon; Kuznetsova, Maria M.; Pulkkinen, Antti, A.

2013-01-01

The International Space Station (ISS) program utilizes a plasma environment forecast for estimating electrical charging hazards for crews during extravehicular activity (EVA). The process uses ionospheric electron density (Ne) and temperature (Te) measurements from the ISS Floating Potential Measurement Unit (FPMU) instrument suite with the assumption that the plasma conditions will remain constant for one to fourteen days with a low probability for a space weather event which would significantly change the environment before an EVA. FPMU data is typically not available during EVA's, therefore, the most recent FPMU data available for characterizing the state of the ionosphere during EVA is typically a day or two before the start of an EVA or after the EVA has been completed. Three near real time space weather tools under development for ISS applications are described here including: (a) Ne from ground based ionosonde measurements of foF2 (b) Ne from near real time satellite radio occultation measurements of electron density profiles (c) Ne, Te from a physics based ionosphere model These applications are used to characterize the ISS space plasma environment during EVA periods when FPMU data is not available, monitor for large changes in ionosphere density that could render the ionosphere forecast and plasma hazard assessment invalid, and validate the "persistence of conditions" forecast assumption. In addition, the tools are useful for providing space environment input to science payloads on ISS and anomaly investigations during periods the FPMU is not operating.

Prediction of the electron redundant SinNn fullerenes

NASA Astrophysics Data System (ADS)

Yang, Huihui; Song, Yan; Zhang, Yan; Chen, Hongshan

2018-05-01

The stabilities and electronic structures of SimAln-mNn and SinNn (n = 16, 20, m = 12 and n = 24, m = 16) fullerene-like cages have been investigated using density functional method B3LYP and the second-order perturbation theory MP2. The results show that the SimAln-mNn and SinNn fullerenes are more stable than the AlN counterparts. Comparing with the corresponding AlnNn cages, one silicon atom in each Si2N2 square protrudes and the excess electrons reside as lone pair electrons at the outside of the protrudent Si atoms. Analyses on the electronic structures suggest that the Sisbnd N bonds are covalent bonding with strong polarity. The ELF (electron localization function) shows large electron pair probability between Si and N atoms. The orbital interactions between Si and N are stronger than that between Al and N atoms; the overlap integral is 0.40 per Sisbnd N bond in SinNn and 0.34 per Alsbnd N bond in AlnNn. The AIM (atoms in molecule) charges on the Al atoms in AlnNn and SimAln-mNn are 2.37 and 2.40. The charges on the in-plane and protrudent Si atoms are about 2.88 and 1.50 respectively. Considering the large local dipole moments around the protrudent Si atoms, the electrostatic interactions are also favorable to the SiN cages.

Can one measure the Cosmic Neutrino Background?

NASA Astrophysics Data System (ADS)

Faessler, Amand; Hodák, Rastislav; Kovalenko, Sergey; Šimkovic, Fedor

The Cosmic Microwave Background (CMB) yields information about our Universe at around 380,000 years after the Big Bang (BB). Due to the weak interaction of the neutrinos with matter, the Cosmic Neutrino Background (CNB) should give information about a much earlier time of our Universe, around one second after the BB. Probably, the most promising method to “see” the CNB is the capture of the electron neutrinos from the Background by Tritium, which then decays into 3He and an electron with the energy of the the Q-value = 18.562keV plus the electron neutrino rest mass. The “KArlsruhe TRItium Neutrino” (KATRIN) experiment, which is in preparation, seems presently the most sensitive proposed method for measuring the electron antineutrino mass. At the same time, KATRIN can also look by the reaction νe(˜ 1.95K) +3H →3He + e-(Q = 18.6keV + m νec2). The capture of the Cosmic Background Neutrinos (CNB) should show in the electron spectrum as a peak by the electron neutrino rest mass above Q. Here, the possibility to see the CNB with KATRIN is studied. A detection of the CNB by KATRIN seems not to be possible at the moment. But KATRIN should be able to determine an upper limit for the local electron neutrino density of the CNB.

Can one measure the Cosmic Neutrino Background?

NASA Astrophysics Data System (ADS)

Faessler, Amand; Hodák, Rastislav; Kovalenko, Sergey; Šimkovic, Fedor

The Cosmic Microwave Background (CMB) yields information about our Universe at around 380,000 years after the Big Bang (BB). Due to the weak interaction of the neutrinos with matter, the Cosmic Neutrino Background (CNB) should give information about a much earlier time of our Universe, around one second after the BB. Probably, the most promising method to "see" the CNB is the capture of the electron neutrinos from the Background by Tritium, which then decays into 3He and an electron with the energy of the the Q-value = 18.562 keV plus the electron neutrino rest mass. The "KArlsruhe TRItium Neutrino" (KATRIN) experiment, which is in preparation, seems presently the most sensitive proposed method for measuring the electron antineutrino mass. At the same time, KATRIN can also look by the reaction νe(˜1.95K) + 3H → 3He + e-(Q = 18.6keV + mνec2). The capture of the Cosmic Background Neutrinos (CNB) should show in the electron spectrum as a peak by the electron neutrino rest mass above Q. Here, the possibility to see the CNB with KATRIN is studied. A detection of the CNB by KATRIN seems not to be possible at the moment. But KATRIN should be able to determine an upper limit for the local electron neutrino density of the CNB.

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

NASA Technical Reports Server (NTRS)

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

1976-01-01

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

Radiation source

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

Direct comparison of Viking 2.3-GHz signal phase fluctuation and columnar electron density between 2 and 160 solar radii

NASA Technical Reports Server (NTRS)

Berman, A. L.; Wackley, J. A.; Hietzke, W. H.

1982-01-01

The relationship between solar wind induced signal phase fluctuation and solar wind columnar electron density has been the subject of intensive analysis during the last two decades. In this article, a sizeable volume of 2.3-GHz signal phase fluctuation and columnar electron density measurements separately and concurrently inferred from Viking spacecraft signals are compared as a function of solar geometry. These data demonstrate that signal phase fluctuation and columnar electron density are proportional over a very wide span of solar elongation angle. A radially dependent electron density model which provides a good fit to the columnar electron density measurements and, when appropriately scaled, to the signal phase fluctuation measurements, is given. This model is also in good agreement with K-coronameter observations at 2 solar radii (2r0), with pulsar time delay measurements at 10r0, and with spacecraft in situ electron density measurements at 1 AU.

Probability density and exceedance rate functions of locally Gaussian turbulence

NASA Technical Reports Server (NTRS)

Mark, W. D.

1989-01-01

A locally Gaussian model of turbulence velocities is postulated which consists of the superposition of a slowly varying strictly Gaussian component representing slow temporal changes in the mean wind speed and a more rapidly varying locally Gaussian turbulence component possessing a temporally fluctuating local variance. Series expansions of the probability density and exceedance rate functions of the turbulence velocity model, based on Taylor's series, are derived. Comparisons of the resulting two-term approximations with measured probability density and exceedance rate functions of atmospheric turbulence velocity records show encouraging agreement, thereby confirming the consistency of the measured records with the locally Gaussian model. Explicit formulas are derived for computing all required expansion coefficients from measured turbulence records.

Exposing extinction risk analysis to pathogens: Is disease just another form of density dependence?

USGS Publications Warehouse

Gerber, L.R.; McCallum, H.; Lafferty, K.D.; Sabo, J.L.; Dobson, A.

2005-01-01

In the United States and several other countries, the development of population viability analyses (PVA) is a legal requirement of any species survival plan developed for threatened and endangered species. Despite the importance of pathogens in natural populations, little attention has been given to host-pathogen dynamics in PVA. To study the effect of infectious pathogens on extinction risk estimates generated from PVA, we review and synthesize the relevance of host-pathogen dynamics in analyses of extinction risk. We then develop a stochastic, density-dependent host-parasite model to investigate the effects of disease on the persistence of endangered populations. We show that this model converges on a Ricker model of density dependence under a suite of limiting assumptions, including a high probability that epidemics will arrive and occur. Using this modeling framework, we then quantify: (1) dynamic differences between time series generated by disease and Ricker processes with the same parameters; (2) observed probabilities of quasi-extinction for populations exposed to disease or self-limitation; and (3) bias in probabilities of quasi-extinction estimated by density-independent PVAs when populations experience either form of density dependence. Our results suggest two generalities about the relationships among disease, PVA, and the management of endangered species. First, disease more strongly increases variability in host abundance and, thus, the probability of quasi-extinction, than does self-limitation. This result stems from the fact that the effects and the probability of occurrence of disease are both density dependent. Second, estimates of quasi-extinction are more often overly optimistic for populations experiencing disease than for those subject to self-limitation. Thus, although the results of density-independent PVAs may be relatively robust to some particular assumptions about density dependence, they are less robust when endangered populations are known to be susceptible to disease. If potential management actions involve manipulating pathogens, then it may be useful to model disease explicitly. ?? 2005 by the Ecological Society of America.

Electron (charge) density studies of cellulose models

USDA-ARS?s Scientific Manuscript database

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

Results of critical velocity experiments with barium, strontium, and calcium releases from CRRES satellite

NASA Technical Reports Server (NTRS)

Wescott, E. M.; Stenbaek-Nielsen, H. C.; Hampton, D. L.; Delamere, P. A.

1994-01-01

As part of the NASA Combined Release and Radiation Effects Satellite (CRRES) chemical release program in September 1990, two Ba and also one each Sr and Ca canisters of a boron-titanium thermite mixture, which vaporizes the element on ignition, were released near perigee after dusk in the South Pacific to study the critical velocity effect proposed by Alfven. The critical velocities of these three elements are 2.7, 3.5, and 5.4 km/s respectively, all well below the orbital velocity of 9.4 km/s. On September 10, 1990, a Sr and Ba pair (G-13, or critical ionization velocity (CIV) I) was released near Rarotonga at approximately 515 km altitude in a background electron density of 3.4 x 10(exp 6)/cu cm. On September 14, 1990, G-14 or CIV II released a Ca and Ba pair west of New Caledonia near 595 km at an electron density of 1.5 x 10(exp 6)/cu cm. Ions of all three elements were observed with low-light level imagers from two aircraft after they had transited up the magnetic field lines into the sunlight. Emissions from the spherically expanding neutral gas shells below the solar terminator, observed with cameras filtered for the Ba(+) ion line at 4554 A and also in unfiltered imagers for approximately 15 s after release, are probably due to excitation by hot electrons created in the CIV process. The ions created clearly lost much of their energy, which we now show can be explained by elastic collisions: Ba(+) + O. Inventories of the observed ions indicate yields of 0.15% and 1.84% for Ba in the first and second experiments, 0.02% for Sr and 0.27% for Ca. Ionization from all the releases continued along the satellite trajectory much longer (greater than 45 s) than expected for a CIV process. The ion production along the satellite track versus time typically shows a rapid rise to a peak in a few seconds followed by an exponential decrease to a level essentially constant rate. The characteristic distances for CIV I and II are 47 and 62 km, respectively. We interpret the early time rise and exponential fall to be due to CIV ionization, of 0.014% (CIV I) and 0.40% (CIV II) for the Ba releases. The later ions produced at a constant rate probably have origins from other such processes as stripping and associative ionization collisions with atmospheric constituents primarily O, and charge exchange with O(+), He(+), and H(+). We suggest that the much larger Ba ionization rate in CIV II than CIV I is due to the fact that the release occurred in the peak Ca density where hot electrons were already present.

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

NASA Astrophysics Data System (ADS)

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

2016-10-01

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

Liouville master equation for multi-electron dynamics during ion-surface interactions

NASA Astrophysics Data System (ADS)

Wirtz, L.; Reinhold, C. O.; Lemell, C.; Burgdorfer, J.

2003-05-01

We present a simulation of the neutralization of highly charged ions in front of a LiF(100) surface including the close-collision regime above the surface. Our approach employs a Monte-Carlo solution of the Liouville master equation for the joint probability density of the ionic motion and the electronic population of the projectile and the target surface. It includes single as well as double particle-hole (de)excitation processes and incorporates electron correlation effects through the conditional dynamics of population strings. The input in terms of elementary one- and two-electron transfer rates is determined from CTMC calculations as well as quantum mechanical Auger calculations. For slow projectiles and normal incidence, the ionic motion depends sensitively on the interplay between image acceleration towards the surface and repulsion by an ensemble of positive hole charges in the surface (``trampoline effect"). For Ne10+ ions we find that image acceleration dominates and no collective backscattering high above the surface takes place. For grazing incidence, our simulation delineates the pathways to complete neutralization. In accordance with recent experimental observations, most ions are reflected as neutrals or even as singly charged negative particles, irrespective of the charge state of the incoming ion.

Improving effectiveness of systematic conservation planning with density data.

PubMed

Veloz, Samuel; Salas, Leonardo; Altman, Bob; Alexander, John; Jongsomjit, Dennis; Elliott, Nathan; Ballard, Grant

2015-08-01

Systematic conservation planning aims to design networks of protected areas that meet conservation goals across large landscapes. The optimal design of these conservation networks is most frequently based on the modeled habitat suitability or probability of occurrence of species, despite evidence that model predictions may not be highly correlated with species density. We hypothesized that conservation networks designed using species density distributions more efficiently conserve populations of all species considered than networks designed using probability of occurrence models. To test this hypothesis, we used the Zonation conservation prioritization algorithm to evaluate conservation network designs based on probability of occurrence versus density models for 26 land bird species in the U.S. Pacific Northwest. We assessed the efficacy of each conservation network based on predicted species densities and predicted species diversity. High-density model Zonation rankings protected more individuals per species when networks protected the highest priority 10-40% of the landscape. Compared with density-based models, the occurrence-based models protected more individuals in the lowest 50% priority areas of the landscape. The 2 approaches conserved species diversity in similar ways: predicted diversity was higher in higher priority locations in both conservation networks. We conclude that both density and probability of occurrence models can be useful for setting conservation priorities but that density-based models are best suited for identifying the highest priority areas. Developing methods to aggregate species count data from unrelated monitoring efforts and making these data widely available through ecoinformatics portals such as the Avian Knowledge Network will enable species count data to be more widely incorporated into systematic conservation planning efforts. © 2015, Society for Conservation Biology.

Silver transfer in proustite Ag{sub 3}AsS{sub 3} at high temperatures: Conductivity and single-crystal X-ray studies

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

Gagor, Anna; Pawlowski, Antoni; Pietraszko, Adam

2009-03-15

Single crystals of proustite Ag{sub 3}AsS{sub 3} have been characterised by impedance spectroscopy and single-crystal X-ray diffraction in the temperature ranges of 295-543 and 295-695 K, respectively. An analysis of the one-particle potential of silver atoms shows that in the whole measuring temperature range defects in the silver substructure play a major role in the conduction mechanism. Furthermore, the silver transfer is equally probable within silver chains and spirals, as well as between chains and spirals. The trigonal R3c room temperature phase does not change until the decomposition of the crystal. The electric anomaly of the first-order character which appearsmore » near 502 K is related to an increase in the electronic component of the total conductivity resulting from Ag{sub 2}S deposition at the sample surface. - Joint probability density function map of silver atoms at T=695 K.« less

The electrons and ion characteristics of Saturn's plasma disk inside the Enceladus orbit

NASA Astrophysics Data System (ADS)

Morooka, Michiko; Wahlund, Jan-Erik; Ye, Sheng-Yi; Kurth, William; Persoon, Ann; Holmberg, Mika

2017-04-01

Cassini observations revealed that Saturn's icy moon Enceladus and surrounding E ring are the significant plasma source of the magnetosphere. However, the observations sometimes show the electron density enhancement even inside the Enceladus orbiting distance, 4RS. Further plasma contribution from the inner rings, the G and the F rings and main A ring are the natural candidate as an additional plasma source. The Cassini/RPWS Langmuir Probe (LP) measurement provides the characteristics of the electrons and ions independently in a cold dense plasma. The observations near the center of the E ring showed that the ion density being larger than the electron density, indicating that there is additional particle as a negative charge carrier. Those are the small nm and μm sized dust grains that are negatively charged by the electron attachments. The faint F and G rings, located at R=2RS and 3RS, consist of small grains and similar electron/ion density discrepancies can be expected. We will show different types of the LP observations when Cassini traveled the equator region of the plasma disk down to 3RS. One with the electron density increasing inside 4RS, and another with the electron density decreasing inside 4RS. During the orbit 016 (2005 doy-284/285), the electron density continued to increase toward the planet. On the other hand, the ion currents, the LP measured currents from the negative bias voltage, turn to decreasing inside 4RS, implying the density decrease of the ions. By comparing the observed LP ion current characteristics and the modeled values using the obtained electron density, we found that the characteristic ion mass can be several times larger than the water ions (AMU=18) that we expected in this region. During the orbit 015 (2005 doy-266/267), on the other hand, the LP observed sharp electron density drop near 3RS. The dust signals from the RPWS antenna showed the density enhancement of the μm sized grains coincide the electron density drop and we have estimated that the characteristic ion mass can exceed AMU=100. Throughout the whole Cassini observation near the equator inside 4RS, we didn't find the case with the ion densities larger than the electron densities as were found near the E ring and the Enceladus plume. We suggest that Saturn's plasmadisk inside the Enceladus orbit is dynamic in ion characteristics where the water molecules coagulate and grow into a small icy dust grains. In the presentation we discuss the relationship between the electron/ion density and the density of the nm and μm sized grains.

A Tomographic Method for the Reconstruction of Local Probability Density Functions

NASA Technical Reports Server (NTRS)

Sivathanu, Y. R.; Gore, J. P.

1993-01-01

A method of obtaining the probability density function (PDF) of local properties from path integrated measurements is described. The approach uses a discrete probability function (DPF) method to infer the PDF of the local extinction coefficient from measurements of the PDFs of the path integrated transmittance. The local PDFs obtained using the method are compared with those obtained from direct intrusive measurements in propylene/air and ethylene/air diffusion flames. The results of this comparison are good.

Turbulent fluctuations during pellet injection into a dipole confined plasma torus

DOE PAGES

Garnier, D. T.; Mauel, M. E.; Roberts, T. M.; ...

2017-01-01

Here, we report measurements of the turbulent evolution of the plasma density profile following the fast injection of lithium pellets into the Levitated Dipole Experiment (LDX) [Boxer et al., Nat. Phys. 6, 207 (2010)]. As the pellet passes through the plasma, it provides a significant internal particle source and allows investigation of density profile evolution, turbulent relaxation, and turbulent fluctuations. The total electron number within the dipole plasma torus increases by more than a factor of three, and the central density increases by more than a factor of five. During these large changes in density, the shape of the densitymore » profile is nearly “stationary” such that the gradient of the particle number within tubes of equal magnetic flux vanishes. In comparison to the usual case, when the particle source is neutral gas at the plasma edge, the internal source from the pellet causes the toroidal phase velocity of the fluctuations to reverse and changes the average particle flux at the plasma edge. An edge particle source creates an inward turbulent pinch, but an internal particle source increases the outward turbulent particle flux. Statistical properties of the turbulence are measured by multiple microwave interferometers and by an array of probes at the edge. The spatial structures of the largest amplitude modes have long radial and toroidal wavelengths. Estimates of the local and toroidally averaged turbulent particle flux show intermittency and a non-Gaussian probability distribution function. The measured fluctuations, both before and during pellet injection, have frequency and wave number dispersion consistent with theoretical expectations for interchange and entropy modes excited within a dipole plasma torus having warm electrons and cool ions.« less

Continuous-time random-walk model for financial distributions

NASA Astrophysics Data System (ADS)

Masoliver, Jaume; Montero, Miquel; Weiss, George H.

2003-02-01

We apply the formalism of the continuous-time random walk to the study of financial data. The entire distribution of prices can be obtained once two auxiliary densities are known. These are the probability densities for the pausing time between successive jumps and the corresponding probability density for the magnitude of a jump. We have applied the formalism to data on the U.S. dollar deutsche mark future exchange, finding good agreement between theory and the observed data.

The Independent Effects of Phonotactic Probability and Neighbourhood Density on Lexical Acquisition by Preschool Children

ERIC Educational Resources Information Center

Storkel, Holly L.; Lee, Su-Yeon

2011-01-01

The goal of this research was to disentangle effects of phonotactic probability, the likelihood of occurrence of a sound sequence, and neighbourhood density, the number of phonologically similar words, in lexical acquisition. Two-word learning experiments were conducted with 4-year-old children. Experiment 1 manipulated phonotactic probability…

Influence of Phonotactic Probability/Neighbourhood Density on Lexical Learning in Late Talkers

ERIC Educational Resources Information Center

MacRoy-Higgins, Michelle; Schwartz, Richard G.; Shafer, Valerie L.; Marton, Klara

2013-01-01

Background: Toddlers who are late talkers demonstrate delays in phonological and lexical skills. However, the influence of phonological factors on lexical acquisition in toddlers who are late talkers has not been examined directly. Aims: To examine the influence of phonotactic probability/neighbourhood density on word learning in toddlers who were…

Monte Carlo method for computing density of states and quench probability of potential energy and enthalpy landscapes.

PubMed

Mauro, John C; Loucks, Roger J; Balakrishnan, Jitendra; Raghavan, Srikanth

2007-05-21

The thermodynamics and kinetics of a many-body system can be described in terms of a potential energy landscape in multidimensional configuration space. The partition function of such a landscape can be written in terms of a density of states, which can be computed using a variety of Monte Carlo techniques. In this paper, a new self-consistent Monte Carlo method for computing density of states is described that uses importance sampling and a multiplicative update factor to achieve rapid convergence. The technique is then applied to compute the equilibrium quench probability of the various inherent structures (minima) in the landscape. The quench probability depends on both the potential energy of the inherent structure and the volume of its corresponding basin in configuration space. Finally, the methodology is extended to the isothermal-isobaric ensemble in order to compute inherent structure quench probabilities in an enthalpy landscape.

Electron density profile measurements at a self-focusing ion beam with high current density and low energy extracted through concave electrodes.

PubMed

Fujiwara, Y; Hirano, Y; Kiyama, S; Nakamiya, A; Koguchi, H; Sakakita, H

2014-02-01

The self-focusing phenomenon has been observed in a high current density and low energy ion beam. In order to study the mechanism of this phenomenon, a special designed double probe to measure the electron density and temperature is installed into the chamber where the high current density ion beam is injected. Electron density profile is successfully measured without the influence of the ion beam components. Estimated electron temperature and density are ∼0.9 eV and ∼8 × 10(8) cm(-3) at the center of ion beam cross section, respectively. It was found that a large amount of electrons are spontaneously accumulated in the ion beam line in the case of self-forcing state.

Experimental and theoretical study of rotationally inelastic diffraction of H{sub 2}(D{sub 2}) from methyl-terminated Si(111)

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

Nihill, Kevin J.; Hund, Zachary M.; Sibener, S. J., E-mail: s-sibener@uchicago.edu

2016-08-28

Fundamental details concerning the interaction between H{sub 2} and CH{sub 3}–Si(111) have been elucidated by the combination of diffractive scattering experiments and electronic structure and scattering calculations. Rotationally inelastic diffraction (RID) of H{sub 2} and D{sub 2} from this model hydrocarbon-decorated semiconductor interface has been confirmed for the first time via both time-of-flight and diffraction measurements, with modest j = 0 → 2 RID intensities for H{sub 2} compared to the strong RID features observed for D{sub 2} over a large range of kinematic scattering conditions along two high-symmetry azimuthal directions. The Debye-Waller model was applied to the thermal attenuationmore » of diffraction peaks, allowing for precise determination of the RID probabilities by accounting for incoherent motion of the CH{sub 3}–Si(111) surface atoms. The probabilities of rotationally inelastic diffraction of H{sub 2} and D{sub 2} have been quantitatively evaluated as a function of beam energy and scattering angle, and have been compared with complementary electronic structure and scattering calculations to provide insight into the interaction potential between H{sub 2} (D{sub 2}) and hence the surface charge density distribution. Specifically, a six-dimensional potential energy surface (PES), describing the electronic structure of the H{sub 2}(D{sub 2})/CH{sub 3}−Si(111) system, has been computed based on interpolation of density functional theory energies. Quantum and classical dynamics simulations have allowed for an assessment of the accuracy of the PES, and subsequently for identification of the features of the PES that serve as classical turning points. A close scrutiny of the PES reveals the highly anisotropic character of the interaction potential at these turning points. This combination of experiment and theory provides new and important details about the interaction of H{sub 2} with a hybrid organic-semiconductor interface, which can be used to further investigate energy flow in technologically relevant systems.« less

Electron number probability distributions for correlated wave functions.

PubMed

Francisco, E; Martín Pendás, A; Blanco, M A

2007-03-07

Efficient formulas for computing the probability of finding exactly an integer number of electrons in an arbitrarily chosen volume are only known for single-determinant wave functions [E. Cances et al., Theor. Chem. Acc. 111, 373 (2004)]. In this article, an algebraic method is presented that extends these formulas to the case of multideterminant wave functions and any number of disjoint volumes. The derived expressions are applied to compute the probabilities within the atomic domains derived from the space partitioning based on the quantum theory of atoms in molecules. Results for a series of test molecules are presented, paying particular attention to the effects of electron correlation and of some numerical approximations on the computed probabilities.

Understanding environmental DNA detection probabilities: A case study using a stream-dwelling char Salvelinus fontinalis

USGS Publications Warehouse

Wilcox, Taylor M; Mckelvey, Kevin S.; Young, Michael K.; Sepulveda, Adam; Shepard, Bradley B.; Jane, Stephen F; Whiteley, Andrew R.; Lowe, Winsor H.; Schwartz, Michael K.

2016-01-01

Environmental DNA sampling (eDNA) has emerged as a powerful tool for detecting aquatic animals. Previous research suggests that eDNA methods are substantially more sensitive than traditional sampling. However, the factors influencing eDNA detection and the resulting sampling costs are still not well understood. Here we use multiple experiments to derive independent estimates of eDNA production rates and downstream persistence from brook trout (Salvelinus fontinalis) in streams. We use these estimates to parameterize models comparing the false negative detection rates of eDNA sampling and traditional backpack electrofishing. We find that using the protocols in this study eDNA had reasonable detection probabilities at extremely low animal densities (e.g., probability of detection 0.18 at densities of one fish per stream kilometer) and very high detection probabilities at population-level densities (e.g., probability of detection > 0.99 at densities of ≥ 3 fish per 100 m). This is substantially more sensitive than traditional electrofishing for determining the presence of brook trout and may translate into important cost savings when animals are rare. Our findings are consistent with a growing body of literature showing that eDNA sampling is a powerful tool for the detection of aquatic species, particularly those that are rare and difficult to sample using traditional methods.

Influence of distributed delays on the dynamics of a generalized immune system cancerous cells interactions model

NASA Astrophysics Data System (ADS)

Piotrowska, M. J.; Bodnar, M.

2018-01-01

We present a generalisation of the mathematical models describing the interactions between the immune system and tumour cells which takes into account distributed time delays. For the analytical study we do not assume any particular form of the stimulus function describing the immune system reaction to presence of tumour cells but we only postulate its general properties. We analyse basic mathematical properties of the considered model such as existence and uniqueness of the solutions. Next, we discuss the existence of the stationary solutions and analytically investigate their stability depending on the forms of considered probability densities that is: Erlang, triangular and uniform probability densities separated or not from zero. Particular instability results are obtained for a general type of probability densities. Our results are compared with those for the model with discrete delays know from the literature. In addition, for each considered type of probability density, the model is fitted to the experimental data for the mice B-cell lymphoma showing mean square errors at the same comparable level. For estimated sets of parameters we discuss possibility of stabilisation of the tumour dormant steady state. Instability of this steady state results in uncontrolled tumour growth. In order to perform numerical simulation, following the idea of linear chain trick, we derive numerical procedures that allow us to solve systems with considered probability densities using standard algorithm for ordinary differential equations or differential equations with discrete delays.

MRI Brain Tumor Segmentation and Necrosis Detection Using Adaptive Sobolev Snakes.

PubMed

Nakhmani, Arie; Kikinis, Ron; Tannenbaum, Allen

2014-03-21

Brain tumor segmentation in brain MRI volumes is used in neurosurgical planning and illness staging. It is important to explore the tumor shape and necrosis regions at different points of time to evaluate the disease progression. We propose an algorithm for semi-automatic tumor segmentation and necrosis detection. Our algorithm consists of three parts: conversion of MRI volume to a probability space based on the on-line learned model, tumor probability density estimation, and adaptive segmentation in the probability space. We use manually selected acceptance and rejection classes on a single MRI slice to learn the background and foreground statistical models. Then, we propagate this model to all MRI slices to compute the most probable regions of the tumor. Anisotropic 3D diffusion is used to estimate the probability density. Finally, the estimated density is segmented by the Sobolev active contour (snake) algorithm to select smoothed regions of the maximum tumor probability. The segmentation approach is robust to noise and not very sensitive to the manual initialization in the volumes tested. Also, it is appropriate for low contrast imagery. The irregular necrosis regions are detected by using the outliers of the probability distribution inside the segmented region. The necrosis regions of small width are removed due to a high probability of noisy measurements. The MRI volume segmentation results obtained by our algorithm are very similar to expert manual segmentation.

MRI brain tumor segmentation and necrosis detection using adaptive Sobolev snakes

NASA Astrophysics Data System (ADS)

Nakhmani, Arie; Kikinis, Ron; Tannenbaum, Allen

2014-03-01

Brain tumor segmentation in brain MRI volumes is used in neurosurgical planning and illness staging. It is important to explore the tumor shape and necrosis regions at di erent points of time to evaluate the disease progression. We propose an algorithm for semi-automatic tumor segmentation and necrosis detection. Our algorithm consists of three parts: conversion of MRI volume to a probability space based on the on-line learned model, tumor probability density estimation, and adaptive segmentation in the probability space. We use manually selected acceptance and rejection classes on a single MRI slice to learn the background and foreground statistical models. Then, we propagate this model to all MRI slices to compute the most probable regions of the tumor. Anisotropic 3D di usion is used to estimate the probability density. Finally, the estimated density is segmented by the Sobolev active contour (snake) algorithm to select smoothed regions of the maximum tumor probability. The segmentation approach is robust to noise and not very sensitive to the manual initialization in the volumes tested. Also, it is appropriate for low contrast imagery. The irregular necrosis regions are detected by using the outliers of the probability distribution inside the segmented region. The necrosis regions of small width are removed due to a high probability of noisy measurements. The MRI volume segmentation results obtained by our algorithm are very similar to expert manual segmentation.

Competition between harvester ants and rodents in the cold desert

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

Landeen, D.S.; Jorgensen, C.D.; Smith, H.D.

1979-09-30

Local distribution patterns of three rodent species (Perognathus parvus, Peromyscus maniculatus, Reithrodontomys megalotis) were studied in areas of high and low densities of harvester ants (Pogonomyrmex owyheei) in Raft River Valley, Idaho. Numbers of rodents were greatest in areas of high ant-density during May, but partially reduced in August; whereas, the trend was reversed in areas of low ant-density. Seed abundance was probably not the factor limiting changes in rodent populations, because seed densities of annual plants were always greater in areas of high ant-density. Differences in seasonal population distributions of rodents between areas of high and low ant-densities weremore » probably due to interactions of seed availability, rodent energetics, and predation.« less

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

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 or accelerator produces a high-voltage electron beam which propagates along a vacuum drift tube and is modulated to initiate electron bunching within the beam. The beam is then directed through a low-density gas chamber which provides isolation between the vacuum modulator and the relativistic electron beam target. The relativistic beam is then applied to a high-density target plasma which typically comprises DT, DD, hydrogen boron or similar thermonuclear gas at a density of 10.sup.17 to 10.sup.20 electrons per cubic centimeter. The target gas is ionized prior to application of the electron beam by means of a laser or other preionization source to form a plasma. Utilizing a relativistic electron beam with an individual particle energy exceeding 3 MeV, classical scattering by relativistic electrons passing through isolation foils is negligible. As a result, relativistic streaming instabilities are initiated within the high-density target plasma causing the relativistic electron beam to efficiently deposit its energy and momentum into a small localized region of the high-density plasma target. Fast liners disposed in the high-density target plasma are explosively or ablatively driven to implosion by a heated annular plasma surrounding the fast liner which is generated by an annular relativistic electron beam. An azimuthal magnetic field produced by axial current flow in the annular plasma, causes the energy in the heated annular plasma to converge on the fast liner.

IV INTERNATIONAL CONFERENCE ON ATOM AND MOLECULAR PULSED LASERS (AMPL'99): Critical electron density in a self-contained copper vapour laser in the restricted pulse repetition rate

NASA Astrophysics Data System (ADS)

Yakovlenko, Sergei I.

2000-06-01

One of the mechanisms of the inversion breaking in copper vapour lasers caused by a high prepulse electron density is considered. Inversion breaking occurs at a critical electron density Ne cr. If the prepulse electron density exceeds Ne cr, the electron temperature Te cr cannot reach, during a plasma heating pulse, the temperature of ~2eV required for lasing. A simple estimate of Ne cr is made.

Formation and electronic properties of palladium hydrides and palladium-rhodium dihydride alloys under pressure.

PubMed

Yang, Xiao; Li, Huijian; Ahuja, Rajeev; Kang, Taewon; Luo, Wei

2017-06-14

We present the formation possibility for Pd-hydrides and Pd-Rh hydrides system by density functional theory (DFT) in high pressure upto 50 GPa. Calculation confirmed that PdH 2 in face-centered cubic (fcc) structure is not stable under compression that will decomposition to fcc-PdH and H 2 . But it can be formed under high pressure while the palladium is involved in the reaction. We also indicate a probably reason why PdH 2 can not be synthesised in experiment due to PdH is most favourite to be formed in Pd and H 2 environment from ambient to higher pressure. With Rh doped, the Pd-Rh dihydrides are stabilized in fcc structure for 25% and 75% doping and in tetragonal structure for 50% doping, and can be formed from Pd, Rh and H 2 at high pressure. The electronic structural study on fcc type Pd x Rh 1-x H 2 indicates the electronic and structural transition from metallic to semi-metallic as Pd increased from x = 0 to 1.

Measurements of high energy loss rates of fast highly charged U ions channeled in thin silicon crystals

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

Ray, C.; Chevallier, M.; Dauvergne, D.

2011-07-01

The results of two channeling experiments show that highly charged heavy ions at moderate velocities (v<

Under-the-barrier dynamics in laser-induced relativistic tunneling.

PubMed

Klaiber, Michael; Yakaboylu, Enderalp; Bauke, Heiko; Hatsagortsyan, Karen Z; Keitel, Christoph H

2013-04-12

The tunneling dynamics in relativistic strong-field ionization is investigated with the aim to develop an intuitive picture for the relativistic tunneling regime. We demonstrate that the tunneling picture applies also in the relativistic regime by introducing position dependent energy levels. The quantum dynamics in the classically forbidden region features two time scales, the typical time that characterizes the probability density's decay of the ionizing electron under the barrier (Keldysh time) and the time interval which the electron spends inside the barrier (Eisenbud-Wigner-Smith tunneling time). In the relativistic regime, an electron momentum shift as well as a spatial shift along the laser propagation direction arise during the under-the-barrier motion which are caused by the laser magnetic field induced Lorentz force. The momentum shift is proportional to the Keldysh time, while the wave-packet's spatial drift is proportional to the Eisenbud-Wigner-Smith time. The signature of the momentum shift is shown to be present in the ionization spectrum at the detector and, therefore, observable experimentally. In contrast, the signature of the Eisenbud-Wigner-Smith time delay disappears at far distances for pure quasistatic tunneling dynamics.

A large area high resolution imaging detector for fast atom diffraction

NASA Astrophysics Data System (ADS)

Lupone, Sylvain; Soulisse, Pierre; Roncin, Philippe

2018-07-01

We describe a high resolution imaging detector based on a single 80 mm micro-channel-plate (MCP) and a phosphor screen mounted on a UHV flange of only 100 mm inner diameter. It relies on standard components and we describe its performance with one or two MCPs. A resolution of 80 μm rms is observed on the beam profile. At low count rate, individual impact can be pinpointed with few μm accuracy but the resolution is probably limited by the MCP channel diameter. The detector has been used to record the diffraction of fast atoms at grazing incidence on crystal surfaces (GIFAD), a technique probing the electronic density of the topmost layer only. The detector was also used to record the scattering profile during azimuthal scan of the crystal to produce triangulation curves revealing the surface crystallographic directions of molecular layers. It should also be compatible with reflection high energy electron (RHEED) experiment when fragile surfaces require a low exposure to the electron beam. The discussions on the mode of operation specific to diffraction experiments apply also to commercial detectors.

Vertical and Lateral Electron Content in the Martian Ionosphere

NASA Astrophysics Data System (ADS)

Paetzold, M. P.; Peter, K.; Bird, M. K.; Häusler, B.; Tellmann, S.

2016-12-01

The radio-science experiment MaRS (Mars Express Radio Science) on the Mars Express spacecraft sounds the neutral atmosphere and ionosphere of Mars since 2004. Approximately 800 vertical profiles of the ionospheric electron density have been acquired until today. The vertical electron content (TEC) is easily computed from the vertical electron density profile by integrating along the altitude. The TEC is typically a fraction of a TEC unit (1E16 m^-2) and depends on the solar zenith angle. The magnitude of the TEC is however fully dominated by the electron density contained in the main layer M2. The contributions by the M1 layer below M2 or the topside is marginal. MaRS is using two radio frequencies for the sounding of the ionosphere. The directly observed differential Doppler from the two received frequencies is a measure of the lateral electron content that means along the ray path and perpendicular to the vertical electron density profile. Combining both the vertical electron density profile, the vertical TEC and the directly observed lateral TEC describes the lateral electron density distribution in the ionosphere.

Investigation of mid-latitude electron density enhancement using total electron content measurements and FORMOSAT-3/COSMIC electron density profiles

NASA Astrophysics Data System (ADS)

Rajesh, P. K.; Nanan, Balan; Liu, Jann-Yenq; Lin, Charles C. H.; Chang, S. Y.; Chen, Chia-Hung

This study investigates the mid-latitude electron density enhancement (MEDE) using global ionospheric map (GIM) total electron content (TEC) measurements and FORMOSAT-3/COSMIC (F3/C) electron density profiles. Diurnal, seasonal, latitudinal, and solar activity variations in the occurrence and strength of MEDE are examined using global GIM TEC data in the years 2002 and 2009. The results show that MEDE occurrence is pronounced during 2200-0400 LT, the feature also appears during day. The strength of MEDE maximizes around 0400 LT, and is very weak during daytime. The occurrence and strength show significant longitude dependence, and vary with season and solar activity. Concurrent F3/C electron density profiles also reveal enhancement of the peak electron density and total electron content. Further studies are carried out by examining the role of neutral wind in re-organizing the plasma using SAMI2 and HWM93 models. The results indicate that meridional neutral wind could cause the plasma to converge over mid-latitudes, and thus support in maintaining the enhancement.

DFT calculations of graphene monolayer in presence of Fe dopant and vacancy

NASA Astrophysics Data System (ADS)

Ostovari, Fatemeh; Hasanpoori, Marziyeh; Abbasnejad, Mohaddeseh; Salehi, Mohammad Ali

2018-07-01

In the present work, the effects of Fe doping and vacancies on the electronic, magnetic and optical properties of graphene are studied by density functional theory based calculations. The conductive behavior is revealed for the various defected graphene by means of electronic density of states. However, defected structures show different magnetic and optical properties compared to those of pure one. The ferromagnetic phase is the most probable phase by substituting Fe atoms and vacancies at AA sublattice of graphene. The optical properties of impure graphene differ from pure graphene under illumination with parallel polarization of electric field, whereas for perpendicular polarization it remains unchanged. In presence of defect and under parallel polarization of light, the static dielectric constant rises strongly and the maximum peak of Im ε(ω) shows red shift relative to pure graphene. Moreover, the maximum absorption peak gets broaden in the visible to infrared region at the same condition and the magnitude and related energy of peaks shift to higher value in the EELS spectra. Furthermore, the results show that the maximum values of refractive index and reflectivity spectra increase rapidly and represent the red and blue shifts; respectively. Generally; substituting the C atom with Fe has more effect on magnetic and optical properties relative to the C vacancies.

Plasma interpenetration study on the Omega laser facility

NASA Astrophysics Data System (ADS)

Le Pape, Sebastien; Divol, Laurent; Ross, Steven; Wilks, Scott; Amendt, Peter; Berzak Hopkins, Laura; Huser, Gael; Moody, John; MacKinnon, Andy; Meezan, Nathan

2016-10-01

The Near Vacuum Campaign on the National Ignition Facility has sparked an interest on the nature of the gold/carbon interface at high velocity, high electron temperature, low-electron density. Indeed radiation-hydrodynamic simulations have been unable to accurately reproduce the experimental shape of the hot spot resulting from implosion driven in Near Vacuum Holhraum. The experimental data are suggesting that the inner beams are freely propagating to the waist of the hohlraum when simulations predict that a density ridge at the gold/carbon interface blocks the inner beams. The discrepancy between experimental data and simulation might be explained by the fluid description of the plasma interface in a rad-hydro code which is probably not valid in when two plasma at high velocity, high temperature are meeting. To test our assumption, we went to the Omega laser facility to study gold/carbon interface in the relevant regime. Time resolved images of the self-emission as well as Thomson scattering data will be presented. For the first time, a transition from a multifluid to a single fluid is observed as plasmas are interacting. This work was performed under the auspices of the U.S. Department of Energy by the Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.

Theoretical studies of molecular structure, electronic structure, spectroscopic properties and the ancillary ligand effect: a comparison of tris-chelate ML3-type and ML2X-type species for gallium(III) complexes with N,O-donor phenolic ligand, 2-(2-hydroxyphenyl)benzothiazole.

PubMed

Tong, Yi-Ping; Lin, Yan-Wen

2011-02-01

Two Ga(III) complexes with main ligand, 2-(2-hydroxyphenyl)benzothiazole (HL'), namely mixed-ligand ML2X-type [GaL'2X'] (1) (HX'=acetic acid, as ancillary ligand) and the meridianal tris-chelate [GaL'3] (2) have been investigated by the density functional theory (DFT/TDDFT) level calculations. Both 1 and 2 can be presented as a similar "mixed-ligand ML2X-type" species. The molecular geometries, electronic structures, metal-ligand bonding property of Ga-O (N) (main ligand), Ga-O (N) (ancillary ligand) interactions, and the ancillary ligand effect on their HOMO-LUMO gap, their absorption/emission property, and their absorption/emission wavelengths/colors for them have been discussed in detail based on the orbital interactions, the partial density of states (PDOS), and so on. The current investigation also indicates that it is quite probable that by introduction of different ancillary ligands, a series of new mixed-ligand ML2X-type complexes for group 13 metals can be designed with their absorption/emission property and the absorption/emission wavelengths and colors being tuned. Copyright © 2011 Elsevier B.V. All rights reserved.

Effects of scale of movement, detection probability, and true population density on common methods of estimating population density

DOE PAGES

Keiter, David A.; Davis, Amy J.; Rhodes, Olin E.; ...

2017-08-25

Knowledge of population density is necessary for effective management and conservation of wildlife, yet rarely are estimators compared in their robustness to effects of ecological and observational processes, which can greatly influence accuracy and precision of density estimates. For this study, we simulate biological and observational processes using empirical data to assess effects of animal scale of movement, true population density, and probability of detection on common density estimators. We also apply common data collection and analytical techniques in the field and evaluate their ability to estimate density of a globally widespread species. We find that animal scale of movementmore » had the greatest impact on accuracy of estimators, although all estimators suffered reduced performance when detection probability was low, and we provide recommendations as to when each field and analytical technique is most appropriately employed. The large influence of scale of movement on estimator accuracy emphasizes the importance of effective post-hoc calculation of area sampled or use of methods that implicitly account for spatial variation. In particular, scale of movement impacted estimators substantially, such that area covered and spacing of detectors (e.g. cameras, traps, etc.) must reflect movement characteristics of the focal species to reduce bias in estimates of movement and thus density.« less

Effects of scale of movement, detection probability, and true population density on common methods of estimating population density

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

Keiter, David A.; Davis, Amy J.; Rhodes, Olin E.

Knowledge of population density is necessary for effective management and conservation of wildlife, yet rarely are estimators compared in their robustness to effects of ecological and observational processes, which can greatly influence accuracy and precision of density estimates. For this study, we simulate biological and observational processes using empirical data to assess effects of animal scale of movement, true population density, and probability of detection on common density estimators. We also apply common data collection and analytical techniques in the field and evaluate their ability to estimate density of a globally widespread species. We find that animal scale of movementmore » had the greatest impact on accuracy of estimators, although all estimators suffered reduced performance when detection probability was low, and we provide recommendations as to when each field and analytical technique is most appropriately employed. The large influence of scale of movement on estimator accuracy emphasizes the importance of effective post-hoc calculation of area sampled or use of methods that implicitly account for spatial variation. In particular, scale of movement impacted estimators substantially, such that area covered and spacing of detectors (e.g. cameras, traps, etc.) must reflect movement characteristics of the focal species to reduce bias in estimates of movement and thus density.« less

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Structural, electronic and optical properties of monoclinic Na{sub 2}Ti{sub 3}O{sub 7} from density functional theory calculations: A comparison with XRD and optical absorption measurements

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

Araújo-Filho, Adailton A.; Silva, Fábio L.R.; Righi, Ariete

Powder samples of bulk monoclinic sodium trititanate Na{sub 2}Ti{sub 3}O{sub 7} were prepared carefully by solid state reaction, and its monoclinic P2{sub 1}/m crystal structure and morphology were characterized by X-ray powder diffraction (XRD) and scanning electron microscopy (SEM), respectively. Moreover, the sodium trititanate main energy band gap was estimated as E{sub g}=3.51±0.01 eV employing UV–Vis spectroscopy, which is smaller than the measured 3.70 eV energy gap published previously by other authors. Aiming to achieve a better understanding of the experimental data, density functional theory (DFT) computations were performed within the local density and generalized gradient approximations (LDA and GGA,more » respectively) taking into account dispersion effects through the scheme of Tkatchenko and Scheffler (GGA+TS). Optimal lattice parameters, with deviations relative to measurements Δa=−0.06 Å, Δb=0.02 Å, and Δc=−0.09 Å, were obtained at the GGA level, which was then used to simulate the sodium trititanate electronic and optical properties. Indirect band transitions have led to a theoretical gap energy value of about 3.25 eV. Our results, however, differ from pioneer DFT results with respect to the specific Brillouin zone vectors for which the indirect transition with smallest energy value occurs. Effective masses for electrons and holes were also estimated along a set of directions in reciprocal space. Lastly, our calculations revealed a relatively large degree of optical isotropy for the Na{sub 2}Ti{sub 3}O{sub 7} optical absorption and complex dielectric function. - Graphical abstract: Monoclinic sodium trititanate Na2Ti3O7 was characterized by experiment and dispersion-corrected DFT calculations. An indirect gap of 3.5 eV is predicted, with heavy electrons and anisotropic holes ruling its conductivity. - Highlights: • Monoclinic Na2Ti3O7 was characterized by experiment (XRD, SEM, UV–Vis spectroscopy). • DFT GGA+TS optimized geometry and optoelectronic properties were obtained. • An experimental (theoretical) indirect gap of 3.5 (3.25) eV is predicted. • Heavy electrons and anisotropic holes rule the conductivity. • Ti-O bond lengths and charge states probably cause oxygen reactivity variations.« less

Redundancy and reduction: Speakers manage syntactic information density

PubMed Central

Florian Jaeger, T.

2010-01-01

A principle of efficient language production based on information theoretic considerations is proposed: Uniform Information Density predicts that language production is affected by a preference to distribute information uniformly across the linguistic signal. This prediction is tested against data from syntactic reduction. A single multilevel logit model analysis of naturally distributed data from a corpus of spontaneous speech is used to assess the effect of information density on complementizer that-mentioning, while simultaneously evaluating the predictions of several influential alternative accounts: availability, ambiguity avoidance, and dependency processing accounts. Information density emerges as an important predictor of speakers’ preferences during production. As information is defined in terms of probabilities, it follows that production is probability-sensitive, in that speakers’ preferences are affected by the contextual probability of syntactic structures. The merits of a corpus-based approach to the study of language production are discussed as well. PMID:20434141

The difference between two random mixed quantum states: exact and asymptotic spectral analysis

NASA Astrophysics Data System (ADS)

Mejía, José; Zapata, Camilo; Botero, Alonso

2017-01-01

We investigate the spectral statistics of the difference of two density matrices, each of which is independently obtained by partially tracing a random bipartite pure quantum state. We first show how a closed-form expression for the exact joint eigenvalue probability density function for arbitrary dimensions can be obtained from the joint probability density function of the diagonal elements of the difference matrix, which is straightforward to compute. Subsequently, we use standard results from free probability theory to derive a relatively simple analytic expression for the asymptotic eigenvalue density (AED) of the difference matrix ensemble, and using Carlson’s theorem, we obtain an expression for its absolute moments. These results allow us to quantify the typical asymptotic distance between the two random mixed states using various distance measures; in particular, we obtain the almost sure asymptotic behavior of the operator norm distance and the trace distance.

Habitat suitability criteria via parametric distributions: estimation, model selection and uncertainty

USGS Publications Warehouse

Som, Nicholas A.; Goodman, Damon H.; Perry, Russell W.; Hardy, Thomas B.

2016-01-01

Previous methods for constructing univariate habitat suitability criteria (HSC) curves have ranged from professional judgement to kernel-smoothed density functions or combinations thereof. We present a new method of generating HSC curves that applies probability density functions as the mathematical representation of the curves. Compared with previous approaches, benefits of our method include (1) estimation of probability density function parameters directly from raw data, (2) quantitative methods for selecting among several candidate probability density functions, and (3) concise methods for expressing estimation uncertainty in the HSC curves. We demonstrate our method with a thorough example using data collected on the depth of water used by juvenile Chinook salmon (Oncorhynchus tschawytscha) in the Klamath River of northern California and southern Oregon. All R code needed to implement our example is provided in the appendix. Published 2015. This article is a U.S. Government work and is in the public domain in the USA.

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

Finzel, Kati, E-mail: kati.finzel@liu.se

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

The electrical resistivity of rough thin films: A model based on electron reflection at discrete step edges

NASA Astrophysics Data System (ADS)

Zhou, Tianji; Zheng, Pengyuan; Pandey, Sumeet C.; Sundararaman, Ravishankar; Gall, Daniel

2018-04-01

The effect of the surface roughness on the electrical resistivity of metallic thin films is described by electron reflection at discrete step edges. A Landauer formalism for incoherent scattering leads to a parameter-free expression for the resistivity contribution from surface mound-valley undulations that is additive to the resistivity associated with bulk and surface scattering. In the classical limit where the electron reflection probability matches the ratio of the step height h divided by the film thickness d, the additional resistivity Δρ = √{3 /2 } /(g0d) × ω/ξ, where g0 is the specific ballistic conductance and ω/ξ is the ratio of the root-mean-square surface roughness divided by the lateral correlation length of the surface morphology. First-principles non-equilibrium Green's function density functional theory transport simulations on 1-nm-thick Cu(001) layers validate the model, confirming that the electron reflection probability is equal to h/d and that the incoherent formalism matches the coherent scattering simulations for surface step separations ≥2 nm. Experimental confirmation is done using 4.5-52 nm thick epitaxial W(001) layers, where ω = 0.25-1.07 nm and ξ = 10.5-21.9 nm are varied by in situ annealing. Electron transport measurements at 77 and 295 K indicate a linear relationship between Δρ and ω/(ξd), confirming the model predictions. The model suggests a stronger resistivity size effect than predictions of existing models by Fuchs [Math. Proc. Cambridge Philos. Soc. 34, 100 (1938)], Sondheimer [Adv. Phys. 1, 1 (1952)], Rossnagel and Kuan [J. Vac. Sci. Technol., B 22, 240 (2004)], or Namba [Jpn. J. Appl. Phys., Part 1 9, 1326 (1970)]. It provides a quantitative explanation for the empirical parameters in these models and may explain the recently reported deviations of experimental resistivity values from these models.

Relationship between the Geotail spacecraft potential and the magnetospheric electron number density including the distant tail regions

NASA Astrophysics Data System (ADS)

Ishisaka, K.; Okada, T.; Tsuruda, K.; Hayakawa, H.; Mukai, T.; Matsumoto, H.

2001-04-01

The spacecraft potential has been used to derive the electron number density surrounding the spacecraft in the magnetosphere and solar wind. We have investigated the correlation between the spacecraft potential of the Geotail spacecraft and the electron number density derived from the plasma waves in the solar wind and almost all the regions of the magnetosphere, except for the high-density plasmasphere, and obtained an empirical formula to show their relation. The new formula is effective in the range of spacecraft potential from a few volts up to 90 V, corresponding to the electron number density from 0.001 to 50 cm-3. We compared the electron number density obtained by the empirical formula with the density obtained by the plasma wave and plasma particle measurements. On occasions the density determined by plasma wave measurements in the lobe region is different from that calculated by the empirical formula. Using the difference in the densities measured by two methods, we discuss whether or not the lower cutoff frequency of the plasma waves, such as continuum radiation, indicates the local electron density near the spacecraft. Then we applied the new relation to the spacecraft potential measured by the Geotail spacecraft during the period from October 1993 to December 1995, and obtained the electron spatial distribution in the solar wind and magnetosphere, including the distant tail region. Higher electron number density is clearly observed on the dawnside than on the duskside of the magnetosphere in the distant tail beyond 100RE.

Probability of occurrence of planetary ionosphere storms associated with the magnetosphere disturbance storm time events

NASA Astrophysics Data System (ADS)

Gulyaeva, T. L.; Arikan, F.; Stanislawska, I.

2014-11-01

The ionospheric W index allows to distinguish state of the ionosphere and plasmasphere from quiet conditions (W = 0 or ±1) to intense storm (W = ±4) ranging the plasma density enhancements (positive phase) or plasma density depletions (negative phase) regarding the quiet ionosphere. The global W index maps are produced for a period 1999-2014 from Global Ionospheric Maps of Total Electron Content, GIM-TEC, designed by Jet Propulson Laboratory, converted from geographic frame (-87.5:2.5:87.5° in latitude, -180:5:180° in longitude) to geomagnetic frame (-85:5:85° in magnetic latitude, -180:5:180° in magnetic longitude). The probability of occurrence of planetary ionosphere storm during the magnetic disturbance storm time, Dst, event is evaluated with the superposed epoch analysis for 77 intense storms (Dst ≤ -100 nT) and 230 moderate storms (-100 < Dst ≤ -50 nT) with start time, t0, defined at Dst storm main phase onset. It is found that the intensity of negative storm, iW-, exceeds the intensity of positive storm, iW+, by 1.5-2 times. An empirical formula of iW+ and iW- in terms of peak Dst is deduced exhibiting an opposite trends of relation of intensity of ionosphere-plasmasphere storm with regard to intensity of Dst storm.

[Study on the distribution of plasma parameters in electrodeless lamp using emission spectrometry].

PubMed

Wang, Chang-Quan; Zhang, Gui-Xin; Wang, Xin-Xin; Shao, Ming-Song; Dong, Jin-Yang; Wang, Zan-Ji

2011-09-01

Electrodeless lamp in pear shape was ignited using inductively coupled discharge setup and Ar-Hg mixtures as working gas. The changes in electronic temperature and density with axial and radial positions at 5 s of igniting were studied by means of emission spectrometry. The changes in electronic temperature were obtained according to the Ar line intensity ratio of 425.9 nm/ 750.4 nm. And the variations in electronic density were analyzed using 750.4 nm line intensity. It was found that plasma electronic temperature and density is various at different axial or radial positions. The electronic temperatures first increase, then decrease, and then increase quickly, and finally decline. While the electronic density firstly increase quickly, the decrease, and then rise slowly and finally decline again with axial distance increasing. With radial distance increasing, electronic temperature increases to a stable area, then continues to rise, while electronic density decreases.

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

NASA Astrophysics Data System (ADS)

Mezey, Paul G.

2017-11-01

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

Analysis of rapid increase in the plasma density during the ramp-up phase in a radio frequency negative ion source by large-scale particle simulation

NASA Astrophysics Data System (ADS)

Yasumoto, M.; Ohta, M.; Kawamura, Y.; Hatayama, A.

2014-02-01

Numerical simulations become useful for the developing RF-ICP (Radio Frequency Inductively Coupled Plasma) negative ion sources. We are developing and parallelizing a two-dimensional three velocity electromagnetic Particle-In-Cell code. The result shows rapid increase in the electron density during the density ramp-up phase. A radial electric field due to the space charge is produced with increase in the electron density and the electron transport in the radial direction is suppressed. As a result, electrons stay for a long period in the region where the inductive electric field is strong, and this leads efficient electron acceleration and a rapid increasing of the electron density.

Nonocclusal dental microwear analysis of 300,000-year-old Homo heilderbergensis teeth from Sima de los Huesos (Sierra de Atapuerca, Spain).

PubMed

Pérez-Pérez, A; Bermúdez De Castro, J M; Arsuaga, J L

1999-04-01

Casts of nonocclusal enamel surfaces of 190 teeth from the Middle Pleistocene site of Sima de los Huesos have been micrographed by scanning electron microscopy. Microscopic analyses of striation density and length by orientation show distinct patterns of intrapopulation variability. Significant differences in the number and length of the striations by orientation are found between maxillary and mandibular teeth. This probably reflects differences in the mechanical forces involved in the process of chewing food. Significant differences are present between isolated and in situ teeth that could be caused by postdepositional processes differentially affecting the isolated teeth. In addition, a distinct and very unusual striation pattern is observed in a sample of teeth that can be explained only by a strong nondietary, most probably postmortem abrasion of the enamel surfaces. These teeth have a very high density of scratches, shorter in length than those found on other teeth, that are not indicative of dietary habits. No known depositional process may account for the presence of such postmortem wear since heavy transportation of materials within the clayish sediments has been discarded for the site. Despite this, a characteristic dietary striation pattern can be observed in most of the teeth analyzed. Most likely the diet of the Homo heidelbergensis hominids from Sima de los Huesos was highly abrasive, probably with a large dependence on hard, poorly processed plant foods, such as roots, stems, and seeds. A highly significant sex-related difference in the striation pattern can also be observed in the teeth analyzed, suggesting a differential consistency in the foods eaten by females and males.

Particle energy distributions and metastable atoms in transient low pressure interpulse microwave plasma

NASA Astrophysics Data System (ADS)

Pandey, Shail; Nath Patel, Dudh; Ram Baitha, Anuj; Bhattacharjee, Sudeep

2015-12-01

The electron energies and its distribution function are measured in non-equilibrium transient pulsed microwave plasmas in the interpulse regime using a retarding field electron energy analyzer. The plasmas are driven to different initial conditions by varying the electromagnetic (EM) wave pulse duration, peak power, or the wave frequency. Two cases of wave excitation are investigated: (i) short-pulse (pulse duration, t w ~ 1 μs), high-power (~60 kW) waves of 9.45 GHz and (ii) medium-pulse (t w ~ 20 μs), and moderate power waves of ~3 kW at 2.45 GHz. It is found that high-power, short-duration pulses lead to a significantly different electron energy probability function (EEPF) in the interpulse phase—a Maxwellian with a bump on the tail, although the average energy per pulse (~60 mJ) is maintained the same in the two modes of wave excitation. Electrons with energies  >250 eV are found to exist in the discharge in the both cases. Another subset of experiments is performed to delineate the effect of the wave frequency and the peak power on EEPF. A traveling wave tube (TWT) amplifier based microwave source for generating pulsed plasma (t w  =  230 μs) in a wide frequency range (6-18 GHz) is employed for this purpose. Further experiments on measurements of metastable density using optical emission spectroscopy and ion energy analyzer have been carried out. By tailoring the EEPF of the transient plasma and metastable densities, new applications in plasma processing, chemistry and biology can be realized in the interpulse phase of the discharge.

An accurate full-dimensional potential energy surface for H-Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption.

PubMed

Janke, Svenja M; Auerbach, Daniel J; Wodtke, Alec M; Kandratsenka, Alexander

2015-09-28

We have constructed a potential energy surface (PES) for H-atoms interacting with fcc Au(111) based on fitting the analytic form of the energy from Effective Medium Theory (EMT) to ab initio energy values calculated with density functional theory. The fit used input from configurations of the H-Au system with Au atoms at their lattice positions as well as configurations with the Au atoms displaced from their lattice positions. It reproduces the energy, in full dimension, not only for the configurations used as input but also for a large number of additional configurations derived from ab initio molecular dynamics (AIMD) trajectories at finite temperature. Adiabatic molecular dynamics simulations on this PES reproduce the energy loss behavior of AIMD. EMT also provides expressions for the embedding electron density, which enabled us to develop a self-consistent approach to simulate nonadiabatic electron-hole pair excitation and their effect on the motion of the incident H-atoms. For H atoms with an energy of 2.7 eV colliding with Au, electron-hole pair excitation is by far the most important energy loss pathway, giving an average energy loss ≈3 times that of the adiabatic case. This increased energy loss enhances the probability of the H-atom remaining on or in the Au slab by a factor of 2. The most likely outcome for H-atoms that are not scattered also depends prodigiously on the energy transfer mechanism; for the nonadiabatic case, more than 50% of the H-atoms which do not scatter are adsorbed on the surface, while for the adiabatic case more than 50% pass entirely through the 4 layer simulation slab.

Electron energization mechanisms in collisionless magnetic reconnection for different guide-field intensities

NASA Astrophysics Data System (ADS)

Pucci, F.; Usami, S.; Guo, X.; Ji, H.; Horiuchi, R.; Okamura, S.

2017-12-01

Electron dynamics and energization are a key component of magnetic field dissipation in collisionless reconnection. Indeed, in 2D reconnection, the main mechanism that limits the current density and provides the resistivity most probably relies on the electron pressure tensor term which has been shown to break the frozen-in condition at the x-point (Ishizawa and Horiuchi 2005; Horiuchi et al. 2014). In addition the electron-meandering-orbit scale controls the width of the electron dissipation region around the x-point, where the electron temperature is observed to increase, so understanding the electron heating mechanism is fundamental for magnetic reconnection. It has been shown by Guo et al. 2017 that for a 2D high guide field configuration (Bz/B0 = 3) electron perpendicular heating is mainly due to the breaking of magnetic moment conservation in the separatrix region while electron perpendicular acceleration takes place mainly in the downstream near the X-point. Electron velocity distributions have been shown to exhibit highly structured features within a few electron skin depths from the X line (Bessho et al. 2014) as well as in the exhaust (Shuster et al. 2014). By means of two-dimensional, full-particle simulations in an open system (Pei et al. 2001; Ohtani and R. Horiuchi 2009), we investigate how the energization mechanism depends on the guide field intensity. We compare electron distribution functions as well as particles orbits, in the electron diffusion region and the exhaust, in order to clarify the preferential electron heating/acceleration in two-dimensional systems. We will then compare our results with observations using the present catalogue of MMS diffusion region crossings.

Simulation Of Wave Function And Probability Density Of Modified Poschl Teller Potential Derived Using Supersymmetric Quantum Mechanics

NASA Astrophysics Data System (ADS)

Angraini, Lily Maysari; Suparmi, Variani, Viska Inda

2010-12-01

SUSY quantum mechanics can be applied to solve Schrodinger equation for high dimensional system that can be reduced into one dimensional system and represented in lowering and raising operators. Lowering and raising operators can be obtained using relationship between original Hamiltonian equation and the (super) potential equation. In this paper SUSY quantum mechanics is used as a method to obtain the wave function and the energy level of the Modified Poschl Teller potential. The graph of wave function equation and probability density is simulated by using Delphi 7.0 programming language. Finally, the expectation value of quantum mechanics operator could be calculated analytically using integral form or probability density graph resulted by the programming.

Relationship between the column density distribution and evolutionary class of molecular clouds as viewed by ATLASGAL

NASA Astrophysics Data System (ADS)

Abreu-Vicente, J.; Kainulainen, J.; Stutz, A.; Henning, Th.; Beuther, H.

2015-09-01

We present the first study of the relationship between the column density distribution of molecular clouds within nearby Galactic spiral arms and their evolutionary status as measured from their stellar content. We analyze a sample of 195 molecular clouds located at distances below 5.5 kpc, identified from the ATLASGAL 870 μm data. We define three evolutionary classes within this sample: starless clumps, star-forming clouds with associated young stellar objects, and clouds associated with H ii regions. We find that the N(H2) probability density functions (N-PDFs) of these three classes of objects are clearly different: the N-PDFs of starless clumps are narrowest and close to log-normal in shape, while star-forming clouds and H ii regions exhibit a power-law shape over a wide range of column densities and log-normal-like components only at low column densities. We use the N-PDFs to estimate the evolutionary time-scales of the three classes of objects based on a simple analytic model from literature. Finally, we show that the integral of the N-PDFs, the dense gas mass fraction, depends on the total mass of the regions as measured by ATLASGAL: more massive clouds contain greater relative amounts of dense gas across all evolutionary classes. Appendices are available in electronic form at http://www.aanda.org

Large-scale atomistic calculations of clusters in intense x-ray pulses

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

Ho, Phay J.; Knight, Chris

Here, we present the methodology of our recently developed Monte-Carlo/ Molecular-Dynamics method for studying the fundamental ultrafast dynamics induced by high-fluence, high-intensity x-ray free electron laser (XFEL) pulses in clusters. The quantum nature of the initiating ionization process is accounted for by a Monte Carlo method to calculate probabilities of electronic transitions, including photo absorption, inner-shell relaxation, photon scattering, electron collision and recombination dynamics, and thus track the transient electronic configurations explicitly. The freed electrons and ions are followed by classical particle trajectories using a molecular dynamics algorithm. These calculations reveal the surprising role of electron-ion recombination processes that leadmore » to the development of nonuniform spatial charge density profiles in x-ray excited clusters over femtosecond timescales. In the high-intensity limit, it is important to include the recombination dynamics in the calculated scattering response even for a 2- fs pulse. We also demonstrate that our numerical codes and algorithms can make e!cient use of the computational power of massively parallel supercomputers to investigate the intense-field dynamics in systems with increasing complexity and size at the ultrafast timescale and in non-linear x-ray interaction regimes. In particular, picosecond trajectories of XFEL clusters with attosecond time resolution containing millions of particles can be e!ciently computed on upwards of 262,144 processes.« less

Large-scale atomistic calculations of clusters in intense x-ray pulses

DOE PAGES

Ho, Phay J.; Knight, Chris

2017-04-28

Here, we present the methodology of our recently developed Monte-Carlo/ Molecular-Dynamics method for studying the fundamental ultrafast dynamics induced by high-fluence, high-intensity x-ray free electron laser (XFEL) pulses in clusters. The quantum nature of the initiating ionization process is accounted for by a Monte Carlo method to calculate probabilities of electronic transitions, including photo absorption, inner-shell relaxation, photon scattering, electron collision and recombination dynamics, and thus track the transient electronic configurations explicitly. The freed electrons and ions are followed by classical particle trajectories using a molecular dynamics algorithm. These calculations reveal the surprising role of electron-ion recombination processes that leadmore » to the development of nonuniform spatial charge density profiles in x-ray excited clusters over femtosecond timescales. In the high-intensity limit, it is important to include the recombination dynamics in the calculated scattering response even for a 2- fs pulse. We also demonstrate that our numerical codes and algorithms can make e!cient use of the computational power of massively parallel supercomputers to investigate the intense-field dynamics in systems with increasing complexity and size at the ultrafast timescale and in non-linear x-ray interaction regimes. In particular, picosecond trajectories of XFEL clusters with attosecond time resolution containing millions of particles can be e!ciently computed on upwards of 262,144 processes.« less

Gedanken densities and exact constraints in density functional theory.

PubMed

Perdew, John P; Ruzsinszky, Adrienn; Sun, Jianwei; Burke, Kieron

2014-05-14

Approximations to the exact density functional for the exchange-correlation energy of a many-electron ground state can be constructed by satisfying constraints that are universal, i.e., valid for all electron densities. Gedanken densities are designed for the purpose of this construction, but need not be realistic. The uniform electron gas is an old gedanken density. Here, we propose a spherical two-electron gedanken density in which the dimensionless density gradient can be an arbitrary positive constant wherever the density is non-zero. The Lieb-Oxford lower bound on the exchange energy can be satisfied within a generalized gradient approximation (GGA) by bounding its enhancement factor or simplest GGA exchange-energy density. This enhancement-factor bound is well known to be sufficient, but our gedanken density shows that it is also necessary. The conventional exact exchange-energy density satisfies no such local bound, but energy densities are not unique, and the simplest GGA exchange-energy density is not an approximation to it. We further derive a strongly and optimally tightened bound on the exchange enhancement factor of a two-electron density, which is satisfied by the local density approximation but is violated by all published GGA's or meta-GGA's. Finally, some consequences of the non-uniform density-scaling behavior for the asymptotics of the exchange enhancement factor of a GGA or meta-GGA are given.

Generalized mass ordering degeneracy in neutrino oscillation experiments

DOE PAGES

Coloma, Pilar; Schwetz, Thomas

2016-09-07

Here, we consider the impact of neutral-current (NC) nonstandard neutrino interactions (NSI) on the determination of the neutrino mass ordering. We show that in the presence of NSI there is an exact degeneracy which makes it impossible to determine the neutrino mass ordering and the octant of the solar mixing angle θ 12 at oscillation experiments. The degeneracy holds at the probability level and for arbitrary matter density profiles, and hence solar, atmospheric, reactor, and accelerator neutrino experiments are affected simultaneously. The degeneracy requires order-1 corrections from NSI to the NC electron neutrino-quark interaction and can be tested in electronmore » neutrino NC scattering experiments.« less

Feasibility study of direct spectra measurements for Thomson scattered signals for KSTAR fusion-grade plasmas

NASA Astrophysics Data System (ADS)

Park, K.-R.; Kim, K.-h.; Kwak, S.; Svensson, J.; Lee, J.; Ghim, Y.-c.

2017-11-01

Feasibility study of direct spectra measurements of Thomson scattered photons for fusion-grade plasmas is performed based on a forward model of the KSTAR Thomson scattering system. Expected spectra in the forward model are calculated based on Selden function including the relativistic polarization correction. Noise in the signal is modeled with photon noise and Gaussian electrical noise. Electron temperature and density are inferred using Bayesian probability theory. Based on bias error, full width at half maximum and entropy of posterior distributions, spectral measurements are found to be feasible. Comparisons between spectrometer-based and polychromator-based Thomson scattering systems are performed with varying quantum efficiency and electrical noise levels.

Quantitative electron density characterization of soft tissue substitute plastic materials using grating-based x-ray phase-contrast imaging

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

Sarapata, A.; Chabior, M.; Zanette, I.

2014-10-15

Many scientific research areas rely on accurate electron density characterization of various materials. For instance in X-ray optics and radiation therapy, there is a need for a fast and reliable technique to quantitatively characterize samples for electron density. We present how a precise measurement of electron density can be performed using an X-ray phase-contrast grating interferometer in a radiographic mode of a homogenous sample in a controlled geometry. A batch of various plastic materials was characterized quantitatively and compared with calculated results. We found that the measured electron densities closely match theoretical values. The technique yields comparable results between amore » monochromatic and a polychromatic X-ray source. Measured electron densities can be further used to design dedicated X-ray phase contrast phantoms and the additional information on small angle scattering should be taken into account in order to exclude unsuitable materials.« less

Probability and shape of the spectral line of a single bulk characteristic energy loss of a fast electron in a medium with electron absorption and strong spatial dispersion

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

Libenson, B. N., E-mail: libenson-b@yandex.ru

2011-10-15

The probability of single characteristic energy loss of a fast electron in a reflection experiment has been calculated. Unlike many works concerning this subject, the bremsstrahlung of bulk plasmons in the non- Cherenkov ranges of frequencies and wavevectors of a plasmon has been taken into account. The contributions to the probability of single loss and to the shape of the spectral line from a quantum correction that is due to the interference of elastic and inelastic electron scattering events have been determined. The probability has been calculated in the kinetic approximation for the relative permittivity, where the short-wavelength range ofmore » the plasmon spectrum is correctly taken into account. In view of these circumstances, the expression for the mean free path of the electron with respect to the emission of a bulk plasmon that was obtained by Pines [D. Pines, Elementary Excitations in Solids (Benjamin, New York, 1963)] has been refined. The coherence length of the fast electron in the medium-energy range under consideration has been estimated. The shape of the spectral line of energy losses in the non-Cherenkov frequency range has been determined. It has been shown that the probability of the single emission of the bulk plasmon incompletely corresponds to the Poisson statistics.« less

Ion Densities in the Nightside Ionosphere of Mars: Effects of Electron Impact Ionization

NASA Astrophysics Data System (ADS)

Girazian, Z.; Mahaffy, P.; Lillis, R. J.; Benna, M.; Elrod, M.; Fowler, C. M.; Mitchell, D. L.

2017-11-01

We use observations from the Mars Atmosphere and Volatile EvolutioN (MAVEN) mission to show how superthermal electron fluxes and crustal magnetic fields affect ion densities in the nightside ionosphere of Mars. We find that due to electron impact ionization, high electron fluxes significantly increase the CO2+, O+, and O2+ densities below 200 km but only modestly increase the NO+ density. High electron fluxes also produce distinct peaks in the CO2+, O+, and O2+ altitude profiles. We also find that superthermal electron fluxes are smaller near strong crustal magnetic fields. Consequently, nightside ion densities are also smaller near strong crustal fields because they decay without being replenished by electron impact ionization. Furthermore, the NO+/O2+ ratio is enhanced near strong crustal fields because, in the absence of electron impact ionization, O2+ is converted into NO+ and not replenished. Our results show that electron impact ionization is a significant source of CO2+, O+, and O2+ in the nightside ionosphere of Mars.

Temporal-spatial measurement of electron relaxation time in femtosecond laser induced plasma using two-color pump-probe imaging technique

NASA Astrophysics Data System (ADS)

Pan, Changji; Jiang, Lan; Wang, Qingsong; Sun, Jingya; Wang, Guoyan; Lu, Yongfeng

2018-05-01

The femtosecond (fs) laser is a powerful tool to study ultrafast plasma dynamics, especially electron relaxation in strong ionization of dielectrics. Herein, temporal-spatial evolution of femtosecond laser induced plasma in fused silica was investigated using a two-color pump-probe technique (i.e., 400 nm and 800 nm, respectively). We demonstrated that when ionized electron density is lower than the critical density, free electron relaxation time is inversely proportional to electron density, which can be explained by the electron-ion scattering regime. In addition, electron density evolution within plasma was analyzed in an early stage (first 800 fs) of the laser-material interaction.

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.

Self-focusing and defocusing of Gaussian laser beams in collisional inhomogeneous plasmas with linear density and temperature ramps

NASA Astrophysics Data System (ADS)

Hashemzadeh, M.

2018-01-01

Self-focusing and defocusing of Gaussian laser beams in collisional inhomogeneous plasmas are investigated in the presence of various laser intensities and linear density and temperature ramps. Considering the ponderomotive force and using the momentum transfer and energy equations, the nonlinear electron density is derived. Taking into account the paraxial approximation and nonlinear electron density, a nonlinear differential equation, governing the focusing and defocusing of the laser beam, is obtained. Results show that in the absence of ramps the laser beam is focused between a minimum and a maximum value of laser intensity. For a certain value of laser intensity and initial electron density, the self-focusing process occurs in a temperature range which reaches its maximum at turning point temperature. However, the laser beam is converged in a narrow range for various amounts of initial electron density. It is indicated that the σ2 parameter and its sign can affect the self-focusing process for different values of laser intensity, initial temperature, and initial density. Finally, it is found that although the electron density ramp-down diverges the laser beam, electron density ramp-up improves the self-focusing process.

Oxygen consumption rate and mitochondrial density in human melanoma monolayer cultures and multicellular spheroids.

PubMed

Hystad, M E; Rofstad, E K

1994-05-15

Rate of oxygen consumption per cell has been shown in previous studies to decrease with increasing depth in the viable rim of multicellular spheroids initiated from rodent cells, human colon-carcinoma cells, and human glioma cells, due to progressive accumulation of quiescent cells during spheroid growth. The purpose of our work was to determine oxygen-consumption profiles in human melanoma spheroids. Monolayer cultures of 4 lines (BEX-c, COX-c, SAX-c, and WIX-c) and spheroid cultures of 2 lines (BEX-c and WIX-c) were subjected to investigation. Spheroids were initiated from monolayer cell cultures and grown in spinner flasks. Rate of oxygen consumption was measured with a Clarke-type electrode. Mitochondrial density was determined by stereological analysis of transmission electron micrographs. Thickness of viable rim and cell packing density were assessed by light microscopy of central spheroid sections. Cell-cycle distribution was determined by analysis of DNA histograms measured by flow cytometry. Cell volume was measured by an electronic particle counter. Rate of oxygen consumption per cell differed by a factor of approximately 1.8 between the 4 cell lines and was positively correlated to total volume of mitochondria per cell. Rate of oxygen consumption per cell and total volume of mitochondria per cell were equal for monolayer cell cultures, 600-microns spheroids and 1,200-microns spheroids of the same line. Mitochondrial density and location in the cell did not differ between cells at the spheroid surface, in the middle of the viable rim and adjacent to the central necrosis. Cell-cycle distribution, cell volume, and cell-packing density in the outer and inner halves of the viable rim were not significantly different. Consequently, the rate of oxygen consumption per cell in inner regions of the viable rim was probably equal to that at the spheroid surface, suggesting that oxygen diffusion distances may be shorter in some melanomas than in many other tumor types.

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.

Generalized Wishart Mixtures for Unsupervised Classification of PolSAR Data

NASA Astrophysics Data System (ADS)

Li, Lan; Chen, Erxue; Li, Zengyuan

2013-01-01

This paper presents an unsupervised clustering algorithm based upon the expectation maximization (EM) algorithm for finite mixture modelling, using the complex wishart probability density function (PDF) for the probabilities. The mixture model enables to consider heterogeneous thematic classes which could not be better fitted by the unimodal wishart distribution. In order to make it fast and robust to calculate, we use the recently proposed generalized gamma distribution (GΓD) for the single polarization intensity data to make the initial partition. Then we use the wishart probability density function for the corresponding sample covariance matrix to calculate the posterior class probabilities for each pixel. The posterior class probabilities are used for the prior probability estimates of each class and weights for all class parameter updates. The proposed method is evaluated and compared with the wishart H-Alpha-A classification. Preliminary results show that the proposed method has better performance.

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

NASA Astrophysics Data System (ADS)

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

2016-05-01

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

The maximum entropy method of moments and Bayesian probability theory

NASA Astrophysics Data System (ADS)

Bretthorst, G. Larry

2013-08-01

The problem of density estimation occurs in many disciplines. For example, in MRI it is often necessary to classify the types of tissues in an image. To perform this classification one must first identify the characteristics of the tissues to be classified. These characteristics might be the intensity of a T1 weighted image and in MRI many other types of characteristic weightings (classifiers) may be generated. In a given tissue type there is no single intensity that characterizes the tissue, rather there is a distribution of intensities. Often this distributions can be characterized by a Gaussian, but just as often it is much more complicated. Either way, estimating the distribution of intensities is an inference problem. In the case of a Gaussian distribution, one must estimate the mean and standard deviation. However, in the Non-Gaussian case the shape of the density function itself must be inferred. Three common techniques for estimating density functions are binned histograms [1, 2], kernel density estimation [3, 4], and the maximum entropy method of moments [5, 6]. In the introduction, the maximum entropy method of moments will be reviewed. Some of its problems and conditions under which it fails will be discussed. Then in later sections, the functional form of the maximum entropy method of moments probability distribution will be incorporated into Bayesian probability theory. It will be shown that Bayesian probability theory solves all of the problems with the maximum entropy method of moments. One gets posterior probabilities for the Lagrange multipliers, and, finally, one can put error bars on the resulting estimated density function.

Sources and trends of environmental mercury emissions in Asia.

PubMed

Wong, Coby S C; Duzgoren-Aydin, Nurdan S; Aydin, Adnan; Wong, Ming H

2006-09-15

This paper focuses on environmental mercury emissions in Asia and elaborates its probable trend in the future and associated implications given the anticipated socioeconomic outlook and other macro-environmental factors. Among the various regions, Asia has become the largest contributor of anthropogenic atmospheric Hg, responsible for over half of the global emission. In the next few decades, a significant increase in anthropogenic Hg emissions in Asia is likely owing to rapid economic and industrial development, unless drastic measures are taken. In particular, the dominance of Asia in some Hg-emitting industries, such as coal combustion, steel production and gold mining, provokes a serious environmental concern over their potential contributions of incidental Hg in the region. Moreover, the increasing prevalence of electrical and electronic manufacturing industry as a user and a contributor of Hg in Asia is also worrying. Specifically, disposal of obsolete electrical and electronic wastes represents a phenomenon increasingly encountered in Asia. In addition to escalating anthropogenic Hg emissions in Asia, associated environmental and health implications may also exacerbate in the region for the probable effects of a unique combination of climatic (e.g. subtropical climate), environmental (e.g. acid rain) and socioeconomic factors (e.g. high population density). Hence, much effort is still needed to understand the role of Asia in global Hg cycle and associated environmental and health effects in the region.

MAVEN Observations of Dayside Peak Electron Densities in the Ionosphere of Mars

NASA Astrophysics Data System (ADS)

Vogt, M. F.; Withers, P.; Andersson, L.; Mahaffy, P. R.; Benna, M.; Elrod, M. K.; Connerney, J. E. P.; Espley, J. R.; Eparvier, F. G.; Jakosky, B. M.

2016-12-01

The peak electron density in the dayside Martian ionosphere is a valuable diagnostic of the state of the ionosphere. Its dependence on factors like the solar zenith angle, ionizing solar irradiance, neutral scale height, and electron temperature has been well studied. The MAVEN spacecraft's September 2015 "deep dip" orbits, in which the orbital periapsis is lowered to 120 km, provided our first opportunity since Viking to sample in situ a complete dayside electron density profiles including the main peak, and the first observations with contemporaneous comprehensive measurements of the local plasma and magnetic field properties. We have analyzed the peak electron density measurements from the MAVEN deep dip orbits and will discuss their variability with various ionospheric properties, including the proximity to regions of large crustal magnetic fields, and external drivers. We will also present observations of the electron temperature and atmospheric neutral and ion composition at the altitude of the peak electron density.

Use of Total Electron Content data to analyze ionosphere electron density gradients

NASA Astrophysics Data System (ADS)

Nava, B.; Radicella, S. M.; Leitinger, R.; Coisson, P.

In presence of electron density gradients the thin shell approximation for the ionosphere used together with a simple mapping function to convert slant Total Electron Content TEC to vertical TEC could lead to TEC conversion errors Therefore these mapping function errors can be used to identify the effects of the electron density gradients in the ionosphere In the present work high precision GPS derived slant TEC data have been used to investigate the effects of the electron density gradients in the middle and low latitude ionosphere under geomagnetic quiet and disturbed conditions In particular the data corresponding to the geographic area of the American sector for the days 5-7 April 2000 have been used to perform a complete analysis of mapping function errors based on the coinciding pierce point technique The results clearly illustrate the electron density gradient effects according to the locations considered and to the actual levels of disturbance of the ionosphere

Car accidents induced by a bottleneck

NASA Astrophysics Data System (ADS)

Marzoug, Rachid; Echab, Hicham; Ez-Zahraouy, Hamid

2017-12-01

Based on the Nagel-Schreckenberg model (NS) we study the probability of car accidents to occur (Pac) at the entrance of the merging part of two roads (i.e. junction). The simulation results show that the existence of non-cooperative drivers plays a chief role, where it increases the risk of collisions in the intermediate and high densities. Moreover, the impact of speed limit in the bottleneck (Vb) on the probability Pac is also studied. This impact depends strongly on the density, where, the increasing of Vb enhances Pac in the low densities. Meanwhile, it increases the road safety in the high densities. The phase diagram of the system is also constructed.

Modeling the Effect of Density-Dependent Chemical Interference Upon Seed Germination

PubMed Central

Sinkkonen, Aki

2005-01-01

A mathematical model is presented to estimate the effects of phytochemicals on seed germination. According to the model, phytochemicals tend to prevent germination at low seed densities. The model predicts that at high seed densities they may increase the probability of seed germination and the number of germinating seeds. Hence, the effects are reminiscent of the density-dependent effects of allelochemicals on plant growth, but the involved variables are germination probability and seedling number. The results imply that it should be possible to bypass inhibitory effects of allelopathy in certain agricultural practices and to increase the efficiency of nature conservation in several plant communities. PMID:19330163

Modeling the Effect of Density-Dependent Chemical Interference upon Seed Germination

PubMed Central

Sinkkonen, Aki

2006-01-01

A mathematical model is presented to estimate the effects of phytochemicals on seed germination. According to the model, phytochemicals tend to prevent germination at low seed densities. The model predicts that at high seed densities they may increase the probability of seed germination and the number of germinating seeds. Hence, the effects are reminiscent of the density-dependent effects of allelochemicals on plant growth, but the involved variables are germination probability and seedling number. The results imply that it should be possible to bypass inhibitory effects of allelopathy in certain agricultural practices and to increase the efficiency of nature conservation in several plant communities. PMID:18648596

Probability density of tunneled carrier states near heterojunctions calculated numerically by the scattering method.

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

Wampler, William R.; Myers, Samuel M.; Modine, Normand A.

2017-09-01

The energy-dependent probability density of tunneled carrier states for arbitrarily specified longitudinal potential-energy profiles in planar bipolar devices is numerically computed using the scattering method. Results agree accurately with a previous treatment based on solution of the localized eigenvalue problem, where computation times are much greater. These developments enable quantitative treatment of tunneling-assisted recombination in irradiated heterojunction bipolar transistors, where band offsets may enhance the tunneling effect by orders of magnitude. The calculations also reveal the density of non-tunneled carrier states in spatially varying potentials, and thereby test the common approximation of uniform- bulk values for such densities.

Spatial capture-recapture models for jointly estimating population density and landscape connectivity

USGS Publications Warehouse

Royle, J. Andrew; Chandler, Richard B.; Gazenski, Kimberly D.; Graves, Tabitha A.

2013-01-01

Population size and landscape connectivity are key determinants of population viability, yet no methods exist for simultaneously estimating density and connectivity parameters. Recently developed spatial capture–recapture (SCR) models provide a framework for estimating density of animal populations but thus far have not been used to study connectivity. Rather, all applications of SCR models have used encounter probability models based on the Euclidean distance between traps and animal activity centers, which implies that home ranges are stationary, symmetric, and unaffected by landscape structure. In this paper we devise encounter probability models based on “ecological distance,” i.e., the least-cost path between traps and activity centers, which is a function of both Euclidean distance and animal movement behavior in resistant landscapes. We integrate least-cost path models into a likelihood-based estimation scheme for spatial capture–recapture models in order to estimate population density and parameters of the least-cost encounter probability model. Therefore, it is possible to make explicit inferences about animal density, distribution, and landscape connectivity as it relates to animal movement from standard capture–recapture data. Furthermore, a simulation study demonstrated that ignoring landscape connectivity can result in negatively biased density estimators under the naive SCR model.

Spatial capture--recapture models for jointly estimating population density and landscape connectivity.

PubMed

Royle, J Andrew; Chandler, Richard B; Gazenski, Kimberly D; Graves, Tabitha A

2013-02-01

Population size and landscape connectivity are key determinants of population viability, yet no methods exist for simultaneously estimating density and connectivity parameters. Recently developed spatial capture--recapture (SCR) models provide a framework for estimating density of animal populations but thus far have not been used to study connectivity. Rather, all applications of SCR models have used encounter probability models based on the Euclidean distance between traps and animal activity centers, which implies that home ranges are stationary, symmetric, and unaffected by landscape structure. In this paper we devise encounter probability models based on "ecological distance," i.e., the least-cost path between traps and activity centers, which is a function of both Euclidean distance and animal movement behavior in resistant landscapes. We integrate least-cost path models into a likelihood-based estimation scheme for spatial capture-recapture models in order to estimate population density and parameters of the least-cost encounter probability model. Therefore, it is possible to make explicit inferences about animal density, distribution, and landscape connectivity as it relates to animal movement from standard capture-recapture data. Furthermore, a simulation study demonstrated that ignoring landscape connectivity can result in negatively biased density estimators under the naive SCR model.

Current density characteristics in the studies of electromagnetically induced transparency in a GaAs/GaAlAs quantum well

NASA Astrophysics Data System (ADS)

Jayarubi, J.; Peter, A. John

2017-05-01

Confinement potential profiles due to conduction and valence bands are obtained in a Ga0.7Al0.3As/ GaAs/ Ga0.7Al0.3As using variation formulism. The free electron distribution is carried out. The confined energy eigenvalue and its corresponding wavefunctions of charge carriers are found using self-consistent method. The confined energies with the geometrical confinement are computed. The potentials due to charges are done by Poisson equation. The effects of dielectric mismatch between the GaAs and GaAlAs semiconductors are introduced in the effective potential expressions. Transfer matrix method is employed to obtain the respective energies. The transmission probability is obtained for a constant well size. The high current density characteristics as a function of applied voltage is investigated. This investigation on the electromagnetically induced transparency in the photonic material will exploit in fabricating novel nonlinear optical devices in future.

Semiclassical electron transport at the edge of a two-dimensional topological insulator: Interplay of protected and unprotected modes

NASA Astrophysics Data System (ADS)

Khalaf, E.; Skvortsov, M. A.; Ostrovsky, P. M.

2016-03-01

We study electron transport at the edge of a generic disordered two-dimensional topological insulator, where some channels are topologically protected from backscattering. Assuming the total number of channels is large, we consider the edge as a quasi-one-dimensional quantum wire and describe it in terms of a nonlinear sigma model with a topological term. Neglecting localization effects, we calculate the average distribution function of transmission probabilities as a function of the sample length. We mainly focus on the two experimentally relevant cases: a junction between two quantum Hall (QH) states with different filling factors (unitary class) and a relatively thick quantum well exhibiting quantum spin Hall (QSH) effect (symplectic class). In a QH sample, the presence of topologically protected modes leads to a strong suppression of diffusion in the other channels already at scales much shorter than the localization length. On the semiclassical level, this is accompanied by the formation of a gap in the spectrum of transmission probabilities close to unit transmission, thereby suppressing shot noise and conductance fluctuations. In the case of a QSH system, there is at most one topologically protected edge channel leading to weaker transport effects. In order to describe `topological' suppression of nearly perfect transparencies, we develop an exact mapping of the semiclassical limit of the one-dimensional sigma model onto a zero-dimensional sigma model of a different symmetry class, allowing us to identify the distribution of transmission probabilities with the average spectral density of a certain random-matrix ensemble. We extend our results to other symmetry classes with topologically protected edges in two dimensions.

Estimation of the radiation-induced DNA double-strand breaks number by considering cell cycle and absorbed dose per cell nucleus

PubMed Central

Mori, Ryosuke; Matsuya, Yusuke; Yoshii, Yuji; Date, Hiroyuki

2018-01-01

Abstract DNA double-strand breaks (DSBs) are thought to be the main cause of cell death after irradiation. In this study, we estimated the probability distribution of the number of DSBs per cell nucleus by considering the DNA amount in a cell nucleus (which depends on the cell cycle) and the statistical variation in the energy imparted to the cell nucleus by X-ray irradiation. The probability estimation of DSB induction was made following these procedures: (i) making use of the Chinese Hamster Ovary (CHO)-K1 cell line as the target example, the amounts of DNA per nucleus in the logarithmic and the plateau phases of the growth curve were measured by flow cytometry with propidium iodide (PI) dyeing; (ii) the probability distribution of the DSB number per cell nucleus for each phase after irradiation with 1.0 Gy of 200 kVp X-rays was measured by means of γ-H2AX immunofluorescent staining; (iii) the distribution of the cell-specific energy deposition via secondary electrons produced by the incident X-rays was calculated by WLTrack (in-house Monte Carlo code); (iv) according to a mathematical model for estimating the DSB number per nucleus, we deduced the induction probability density of DSBs based on the measured DNA amount (depending on the cell cycle) and the calculated dose per nucleus. The model exhibited DSB induction probabilities in good agreement with the experimental results for the two phases, suggesting that the DNA amount (depending on the cell cycle) and the statistical variation in the local energy deposition are essential for estimating the DSB induction probability after X-ray exposure. PMID:29800455

Estimation of the radiation-induced DNA double-strand breaks number by considering cell cycle and absorbed dose per cell nucleus.

PubMed

Mori, Ryosuke; Matsuya, Yusuke; Yoshii, Yuji; Date, Hiroyuki

2018-05-01

DNA double-strand breaks (DSBs) are thought to be the main cause of cell death after irradiation. In this study, we estimated the probability distribution of the number of DSBs per cell nucleus by considering the DNA amount in a cell nucleus (which depends on the cell cycle) and the statistical variation in the energy imparted to the cell nucleus by X-ray irradiation. The probability estimation of DSB induction was made following these procedures: (i) making use of the Chinese Hamster Ovary (CHO)-K1 cell line as the target example, the amounts of DNA per nucleus in the logarithmic and the plateau phases of the growth curve were measured by flow cytometry with propidium iodide (PI) dyeing; (ii) the probability distribution of the DSB number per cell nucleus for each phase after irradiation with 1.0 Gy of 200 kVp X-rays was measured by means of γ-H2AX immunofluorescent staining; (iii) the distribution of the cell-specific energy deposition via secondary electrons produced by the incident X-rays was calculated by WLTrack (in-house Monte Carlo code); (iv) according to a mathematical model for estimating the DSB number per nucleus, we deduced the induction probability density of DSBs based on the measured DNA amount (depending on the cell cycle) and the calculated dose per nucleus. The model exhibited DSB induction probabilities in good agreement with the experimental results for the two phases, suggesting that the DNA amount (depending on the cell cycle) and the statistical variation in the local energy deposition are essential for estimating the DSB induction probability after X-ray exposure.

Statistics of cosmic density profiles from perturbation theory

NASA Astrophysics Data System (ADS)

Bernardeau, Francis; Pichon, Christophe; Codis, Sandrine

2014-11-01

The joint probability distribution function (PDF) of the density within multiple concentric spherical cells is considered. It is shown how its cumulant generating function can be obtained at tree order in perturbation theory as the Legendre transform of a function directly built in terms of the initial moments. In the context of the upcoming generation of large-scale structure surveys, it is conjectured that this result correctly models such a function for finite values of the variance. Detailed consequences of this assumption are explored. In particular the corresponding one-cell density probability distribution at finite variance is computed for realistic power spectra, taking into account its scale variation. It is found to be in agreement with Λ -cold dark matter simulations at the few percent level for a wide range of density values and parameters. Related explicit analytic expansions at the low and high density tails are given. The conditional (at fixed density) and marginal probability of the slope—the density difference between adjacent cells—and its fluctuations is also computed from the two-cell joint PDF; it also compares very well to simulations. It is emphasized that this could prove useful when studying the statistical properties of voids as it can serve as a statistical indicator to test gravity models and/or probe key cosmological parameters.

[Study of the effect of heat source separation distance on plasma physical properties in laser-pulsed GMAW hybrid welding based on spectral diagnosis technique].

PubMed

Liao, Wei; Hua, Xue-Ming; Zhang, Wang; Li, Fang

2014-05-01

In the present paper, the authors calculated the plasma's peak electron temperatures under different heat source separation distance in laser- pulse GMAW hybrid welding based on Boltzmann spectrometry. Plasma's peak electron densities under the corresponding conditions were also calculated by using the Stark width of the plasma spectrum. Combined with high-speed photography, the effect of heat source separation distance on electron temperature and electron density was studied. The results show that with the increase in heat source separation distance, the electron temperatures and electron densities of laser plasma did not changed significantly. However, the electron temperatures of are plasma decreased, and the electron densities of are plasma first increased and then decreased.

Word Recognition and Nonword Repetition in Children with Language Disorders: The Effects of Neighborhood Density, Lexical Frequency, and Phonotactic Probability

ERIC Educational Resources Information Center

Rispens, Judith; Baker, Anne; Duinmeijer, Iris

2015-01-01

Purpose: The effects of neighborhood density (ND) and lexical frequency on word recognition and the effects of phonotactic probability (PP) on nonword repetition (NWR) were examined to gain insight into processing at the lexical and sublexical levels in typically developing (TD) children and children with developmental language problems. Method:…

A photoemission moments model using density functional and transfer matrix methods applied to coating layers on surfaces: Theory

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

Jensen, Kevin L.; Finkenstadt, Daniel; Shabaev, Andrew

Recent experimental measurements of a bulk material covered with a small number of graphene layers reported by Yamaguchi et al. [NPJ 2D Mater. Appl. 1, 12 (2017)] (on bialkali) and Liu et al.[Appl. Phys. Lett. 110, 041607 (2017)] (on copper) and the needs of emission models in beam optics codes have lead to substantial changes in a Moments model of photoemission. The changes account for (i) a barrier profile and density of states factor based on density functional theory (DFT) evaluations, (ii) a Drude-Lorentz model of the optical constants and laser penetration depth, and (iii) a transmission probability evaluated bymore » an Airy Transfer Matrix Approach. Importantly, the DFT results lead to a surface barrier profile of a shape similar to both resonant barriers and reflectionless wells: the associated quantum mechanical transmission probabilities are shown to be comparable to those recently required to enable the Moments (and Three Step) model to match experimental data but for reasons very different than the assumption by conventional wisdom that a barrier is responsible. The substantial modifications of the Moments model components, motivated by computational materials methods, are developed. The results prepare the Moments model for use in treating heterostructures and discrete energy level systems (e.g., quantum dots) proposed for decoupling the opposing metrics of performance that undermine the performance of advanced light sources like the x-ray Free Electron Laser. The consequences of the modified components on quan-tum yield, emittance, and emission models needed by beam optics codes are discussed. Published by AIP Publishing. https://doi.org/10.1063/1.5008600« less

A photoemission moments model using density functional and transfer matrix methods applied to coating layers on surfaces: Theory

DOE PAGES

Jensen, Kevin L.; Finkenstadt, Daniel; Shabaev, Andrew; ...

2018-01-28

Recent experimental measurements of a bulk material covered with a small number of graphene layers reported by Yamaguchi et al. [NPJ 2D Mater. Appl. 1, 12 (2017)] (on bialkali) and Liu et al.[Appl. Phys. Lett. 110, 041607 (2017)] (on copper) and the needs of emission models in beam optics codes have lead to substantial changes in a Moments model of photoemission. The changes account for (i) a barrier profile and density of states factor based on density functional theory (DFT) evaluations, (ii) a Drude-Lorentz model of the optical constants and laser penetration depth, and (iii) a transmission probability evaluated bymore » an Airy Transfer Matrix Approach. Importantly, the DFT results lead to a surface barrier profile of a shape similar to both resonant barriers and reflectionless wells: the associated quantum mechanical transmission probabilities are shown to be comparable to those recently required to enable the Moments (and Three Step) model to match experimental data but for reasons very different than the assumption by conventional wisdom that a barrier is responsible. The substantial modifications of the Moments model components, motivated by computational materials methods, are developed. The results prepare the Moments model for use in treating heterostructures and discrete energy level systems (e.g., quantum dots) proposed for decoupling the opposing metrics of performance that undermine the performance of advanced light sources like the x-ray Free Electron Laser. The consequences of the modified components on quan-tum yield, emittance, and emission models needed by beam optics codes are discussed. Published by AIP Publishing. https://doi.org/10.1063/1.5008600« less

Resonances in the cumulative reaction probability for a model electronically nonadiabatic reaction

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

Qi, J.; Bowman, J.M.

1996-05-01

The cumulative reaction probability, flux{endash}flux correlation function, and rate constant are calculated for a model, two-state, electronically nonadiabatic reaction, given by Shin and Light [S. Shin and J. C. Light, J. Chem. Phys. {bold 101}, 2836 (1994)]. We apply straightforward generalizations of the flux matrix/absorbing boundary condition approach of Miller and co-workers to obtain these quantities. The upper adiabatic electronic potential supports bound states, and these manifest themselves as {open_quote}{open_quote}recrossing{close_quote}{close_quote} resonances in the cumulative reaction probability, at total energies above the barrier to reaction on the lower adiabatic potential. At energies below the barrier, the cumulative reaction probability for themore » coupled system is shifted to higher energies relative to the one obtained for the ground state potential. This is due to the effect of an additional effective barrier caused by the nuclear kinetic operator acting on the ground state, adiabatic electronic wave function, as discussed earlier by Shin and Light. Calculations are reported for five sets of electronically nonadiabatic coupling parameters. {copyright} {ital 1996 American Institute of Physics.}« less

Unification of field theory and maximum entropy methods for learning probability densities

NASA Astrophysics Data System (ADS)

Kinney, Justin B.

2015-09-01

The need to estimate smooth probability distributions (a.k.a. probability densities) from finite sampled data is ubiquitous in science. Many approaches to this problem have been described, but none is yet regarded as providing a definitive solution. Maximum entropy estimation and Bayesian field theory are two such approaches. Both have origins in statistical physics, but the relationship between them has remained unclear. Here I unify these two methods by showing that every maximum entropy density estimate can be recovered in the infinite smoothness limit of an appropriate Bayesian field theory. I also show that Bayesian field theory estimation can be performed without imposing any boundary conditions on candidate densities, and that the infinite smoothness limit of these theories recovers the most common types of maximum entropy estimates. Bayesian field theory thus provides a natural test of the maximum entropy null hypothesis and, furthermore, returns an alternative (lower entropy) density estimate when the maximum entropy hypothesis is falsified. The computations necessary for this approach can be performed rapidly for one-dimensional data, and software for doing this is provided.

Unification of field theory and maximum entropy methods for learning probability densities.

PubMed

Kinney, Justin B

2015-09-01

The need to estimate smooth probability distributions (a.k.a. probability densities) from finite sampled data is ubiquitous in science. Many approaches to this problem have been described, but none is yet regarded as providing a definitive solution. Maximum entropy estimation and Bayesian field theory are two such approaches. Both have origins in statistical physics, but the relationship between them has remained unclear. Here I unify these two methods by showing that every maximum entropy density estimate can be recovered in the infinite smoothness limit of an appropriate Bayesian field theory. I also show that Bayesian field theory estimation can be performed without imposing any boundary conditions on candidate densities, and that the infinite smoothness limit of these theories recovers the most common types of maximum entropy estimates. Bayesian field theory thus provides a natural test of the maximum entropy null hypothesis and, furthermore, returns an alternative (lower entropy) density estimate when the maximum entropy hypothesis is falsified. The computations necessary for this approach can be performed rapidly for one-dimensional data, and software for doing this is provided.

Optimizing probability of detection point estimate demonstration

NASA Astrophysics Data System (ADS)

Koshti, Ajay M.

2017-04-01

The paper provides discussion on optimizing probability of detection (POD) demonstration experiments using point estimate method. The optimization is performed to provide acceptable value for probability of passing demonstration (PPD) and achieving acceptable value for probability of false (POF) calls while keeping the flaw sizes in the set as small as possible. POD Point estimate method is used by NASA for qualifying special NDE procedures. The point estimate method uses binomial distribution for probability density. Normally, a set of 29 flaws of same size within some tolerance are used in the demonstration. Traditionally largest flaw size in the set is considered to be a conservative estimate of the flaw size with minimum 90% probability and 95% confidence. The flaw size is denoted as α90/95PE. The paper investigates relationship between range of flaw sizes in relation to α90, i.e. 90% probability flaw size, to provide a desired PPD. The range of flaw sizes is expressed as a proportion of the standard deviation of the probability density distribution. Difference between median or average of the 29 flaws and α90 is also expressed as a proportion of standard deviation of the probability density distribution. In general, it is concluded that, if probability of detection increases with flaw size, average of 29 flaw sizes would always be larger than or equal to α90 and is an acceptable measure of α90/95PE. If NDE technique has sufficient sensitivity and signal-to-noise ratio, then the 29 flaw-set can be optimized to meet requirements of minimum required PPD, maximum allowable POF, requirements on flaw size tolerance about mean flaw size and flaw size detectability requirements. The paper provides procedure for optimizing flaw sizes in the point estimate demonstration flaw-set.

Optical detection of symmetric and antisymmetric states in double quantum wells at room temperature

NASA Astrophysics Data System (ADS)

Marchewka, M.; Sheregii, E. M.; Tralle, I.; Marcelli, A.; Piccinini, M.; Cebulski, J.

2009-09-01

We studied the optical reflectivity of a specially grown double quantum well (DQW) structure characterized by a rectangular shape and a high electron density at room temperature. Assuming that the QWs depth is known, reflectivity spectra in the mid-IR range allow to carry out the precise measurements of the SAS-gap values (the energy gap between the symmetric and anti-symmetric states) and the absolute energies of both symmetric and antisymmetric electron states. The results of our experiments are in favor of the existence of the SAS splitting in the DQWs at room temperature. Here we have shown that the SAS gap increases proportionally to the subband quantum number and the optical electron transitions between symmetric and antisymmetric states belonging to different subbands are allowed. These results were used for interpretation of the beating effect in the Shubnikov-de Haas (SdH) oscillations at low temperatures (0.6 and 4.2 K). The approach to the calculation of the Landau-levels energies for DQW structures developed earlier [D. Ploch , Phys. Rev. B 79, 195434 (2009)] is used for the analysis and interpretation of the experimental data related to the beating effect. We also argue that in order to explain the beating effect in the SdH oscillations, one should introduce two different quasi-Fermi levels characterizing the two electron subsystems regarding symmetry properties of their wave functions, symmetric and antisymmetric ones. These states are not mixed neither by electron-electron interaction nor probably by electron-phonon interaction.

Multiple electron processes of He and Ne by proton impact

NASA Astrophysics Data System (ADS)

Terekhin, Pavel Nikolaevich; Montenegro, Pablo; Quinto, Michele; Monti, Juan; Fojon, Omar; Rivarola, Roberto

2016-05-01

A detailed investigation of multiple electron processes (single and multiple ionization, single capture, transfer-ionization) of He and Ne is presented for proton impact at intermediate and high collision energies. Exclusive absolute cross sections for these processes have been obtained by calculation of transition probabilities in the independent electron and independent event models as a function of impact parameter in the framework of the continuum distorted wave-eikonal initial state theory. A binomial analysis is employed to calculate exclusive probabilities. The comparison with available theoretical and experimental results shows that exclusive probabilities are needed for a reliable description of the experimental data. The developed approach can be used for obtaining the input database for modeling multiple electron processes of charged particles passing through the matter.

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

NASA Astrophysics Data System (ADS)

Abe, Takumi; Moen, J. I.

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

On the roles of close shell interactions in the structure of acyl-substituted hydrazones: An experimental and theoretical approach

NASA Astrophysics Data System (ADS)

Saeed, Aamer; Ifzan Arshad, M.; Bolte, Michael; Fantoni, Adolfo C.; Delgado Espinoza, Zuly Y.; Erben, Mauricio F.

2016-03-01

The 2-(phenyl-hydrazono)-succinic acid dimethyl ester compound was synthesized by reacting phenylhydrazine with dimethylacetylene dicarboxylate at room temperature and characterized by elemental analysis, infrared, Raman, 1H and 13C NMR spectroscopies and mass spectrometry. Its solid state structure was determined by X-ray diffraction methods. The X-ray structure determination corroborates that the molecule is present in the crystal as the hydrazone tautomer, probably favored by a strong intramolecular N-H···Odbnd C hydrogen bond occurring between the carbonyl (-Cdbnd O) and the hydrazone -Cdbnd N-NH- groups. A substantial fragment of the molecular skeleton is planar due to an extended π-bonding delocalization. The topological analysis of the electron densities (Atom in Molecule, AIM) allows characterization of intramolecular N-H···O interaction, that can be classified as a resonant assisted hydrogen bond (RAHB). Moreover, the Natural Bond Orbital population analysis confirms that a strong hyperconjugative lpO1 → σ*(N2-H) remote interaction between the C2dbnd O1 and N2-H groups takes place. Periodic system electron density and topological analysis have been applied to characterize the intermolecular interactions in the crystal. Weak intermolecular interactions determine the crystal packing, and the prevalence of non-directional dispersive contributions are inferred on topological grounds. The IR spectrum of the crystalline compound was investigated by means of density functional theory calculations carried out with periodic boundary conditions on the crystal, showing excellent agreement between theory and the experiments. The vibrational assignment is complemented with the analysis of the Raman spectrum.

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

DOE PAGES

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

2017-11-20

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

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

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

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

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

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

Phonotactics, Neighborhood Activation, and Lexical Access for Spoken Words

PubMed Central

Vitevitch, Michael S.; Luce, Paul A.; Pisoni, David B.; Auer, Edward T.

2012-01-01

Probabilistic phonotactics refers to the relative frequencies of segments and sequences of segments in spoken words. Neighborhood density refers to the number of words that are phonologically similar to a given word. Despite a positive correlation between phonotactic probability and neighborhood density, nonsense words with high probability segments and sequences are responded to more quickly than nonsense words with low probability segments and sequences, whereas real words occurring in dense similarity neighborhoods are responded to more slowly than real words occurring in sparse similarity neighborhoods. This contradiction may be resolved by hypothesizing that effects of probabilistic phonotactics have a sublexical focus and that effects of similarity neighborhood density have a lexical focus. The implications of this hypothesis for models of spoken word recognition are discussed. PMID:10433774

Fractional Brownian motion with a reflecting wall

NASA Astrophysics Data System (ADS)

Wada, Alexander H. O.; Vojta, Thomas

2018-02-01

Fractional Brownian motion, a stochastic process with long-time correlations between its increments, is a prototypical model for anomalous diffusion. We analyze fractional Brownian motion in the presence of a reflecting wall by means of Monte Carlo simulations. Whereas the mean-square displacement of the particle shows the expected anomalous diffusion behavior ˜tα , the interplay between the geometric confinement and the long-time memory leads to a highly non-Gaussian probability density function with a power-law singularity at the barrier. In the superdiffusive case α >1 , the particles accumulate at the barrier leading to a divergence of the probability density. For subdiffusion α <1 , in contrast, the probability density is depleted close to the barrier. We discuss implications of these findings, in particular, for applications that are dominated by rare events.

Numerical study of the influence of surface reaction probabilities on reactive species in an rf atmospheric pressure plasma containing humidity

NASA Astrophysics Data System (ADS)

Schröter, Sandra; Gibson, Andrew R.; Kushner, Mark J.; Gans, Timo; O'Connell, Deborah

2018-01-01

The quantification and control of reactive species (RS) in atmospheric pressure plasmas (APPs) is of great interest for their technological applications, in particular in biomedicine. Of key importance in simulating the densities of these species are fundamental data on their production and destruction. In particular, data concerning particle-surface reaction probabilities in APPs are scarce, with most of these probabilities measured in low-pressure systems. In this work, the role of surface reaction probabilities, γ, of reactive neutral species (H, O and OH) on neutral particle densities in a He-H2O radio-frequency micro APP jet (COST-μ APPJ) are investigated using a global model. It is found that the choice of γ, particularly for low-mass species having large diffusivities, such as H, can change computed species densities significantly. The importance of γ even at elevated pressures offers potential for tailoring the RS composition of atmospheric pressure microplasmas by choosing different wall materials or plasma geometries.

Effects of heterogeneous traffic with speed limit zone on the car accidents

NASA Astrophysics Data System (ADS)

Marzoug, R.; Lakouari, N.; Bentaleb, K.; Ez-Zahraouy, H.; Benyoussef, A.

2016-06-01

Using the extended Nagel-Schreckenberg (NS) model, we numerically study the impact of the heterogeneity of traffic with speed limit zone (SLZ) on the probability of occurrence of car accidents (Pac). SLZ in the heterogeneous traffic has an important effect, typically in the mixture velocities case. In the deterministic case, SLZ leads to the appearance of car accidents even in the low densities, in this region Pac increases with increasing of fraction of fast vehicles (Ff). In the nondeterministic case, SLZ decreases the effect of braking probability Pb in the low densities. Furthermore, the impact of multi-SLZ on the probability Pac is also studied. In contrast with the homogeneous case [X. Li, H. Kuang, Y. Fan and G. Zhang, Int. J. Mod. Phys. C 25 (2014) 1450036], it is found that in the low densities the probability Pac without SLZ (n = 0) is low than Pac with multi-SLZ (n > 0). However, the existence of multi-SLZ in the road decreases the risk of collision in the congestion phase.

An empirical probability model of detecting species at low densities.

PubMed

Delaney, David G; Leung, Brian

2010-06-01

False negatives, not detecting things that are actually present, are an important but understudied problem. False negatives are the result of our inability to perfectly detect species, especially those at low density such as endangered species or newly arriving introduced species. They reduce our ability to interpret presence-absence survey data and make sound management decisions (e.g., rapid response). To reduce the probability of false negatives, we need to compare the efficacy and sensitivity of different sampling approaches and quantify an unbiased estimate of the probability of detection. We conducted field experiments in the intertidal zone of New England and New York to test the sensitivity of two sampling approaches (quadrat vs. total area search, TAS), given different target characteristics (mobile vs. sessile). Using logistic regression we built detection curves for each sampling approach that related the sampling intensity and the density of targets to the probability of detection. The TAS approach reduced the probability of false negatives and detected targets faster than the quadrat approach. Mobility of targets increased the time to detection but did not affect detection success. Finally, we interpreted two years of presence-absence data on the distribution of the Asian shore crab (Hemigrapsus sanguineus) in New England and New York, using our probability model for false negatives. The type of experimental approach in this paper can help to reduce false negatives and increase our ability to detect species at low densities by refining sampling approaches, which can guide conservation strategies and management decisions in various areas of ecology such as conservation biology and invasion ecology.

Estimating detection and density of the Andean cat in the high Andes

USGS Publications Warehouse

Reppucci, J.; Gardner, B.; Lucherini, M.

2011-01-01

The Andean cat (Leopardus jacobita) is one of the most endangered, yet least known, felids. Although the Andean cat is considered at risk of extinction, rigorous quantitative population studies are lacking. Because physical observations of the Andean cat are difficult to make in the wild, we used a camera-trapping array to photo-capture individuals. The survey was conducted in northwestern Argentina at an elevation of approximately 4,200 m during October-December 2006 and April-June 2007. In each year we deployed 22 pairs of camera traps, which were strategically placed. To estimate detection probability and density we applied models for spatial capture-recapture using a Bayesian framework. Estimated densities were 0.07 and 0.12 individual/km 2 for 2006 and 2007, respectively. Mean baseline detection probability was estimated at 0.07. By comparison, densities of the Pampas cat (Leopardus colocolo), another poorly known felid that shares its habitat with the Andean cat, were estimated at 0.74-0.79 individual/km2 in the same study area for 2006 and 2007, and its detection probability was estimated at 0.02. Despite having greater detectability, the Andean cat is rarer in the study region than the Pampas cat. Properly accounting for the detection probability is important in making reliable estimates of density, a key parameter in conservation and management decisions for any species. ?? 2011 American Society of Mammalogists.

Estimating detection and density of the Andean cat in the high Andes

USGS Publications Warehouse

Reppucci, Juan; Gardner, Beth; Lucherini, Mauro

2011-01-01

The Andean cat (Leopardus jacobita) is one of the most endangered, yet least known, felids. Although the Andean cat is considered at risk of extinction, rigorous quantitative population studies are lacking. Because physical observations of the Andean cat are difficult to make in the wild, we used a camera-trapping array to photo-capture individuals. The survey was conducted in northwestern Argentina at an elevation of approximately 4,200 m during October–December 2006 and April–June 2007. In each year we deployed 22 pairs of camera traps, which were strategically placed. To estimate detection probability and density we applied models for spatial capture–recapture using a Bayesian framework. Estimated densities were 0.07 and 0.12 individual/km2 for 2006 and 2007, respectively. Mean baseline detection probability was estimated at 0.07. By comparison, densities of the Pampas cat (Leopardus colocolo), another poorly known felid that shares its habitat with the Andean cat, were estimated at 0.74–0.79 individual/km2 in the same study area for 2006 and 2007, and its detection probability was estimated at 0.02. Despite having greater detectability, the Andean cat is rarer in the study region than the Pampas cat. Properly accounting for the detection probability is important in making reliable estimates of density, a key parameter in conservation and management decisions for any species.

Electron energy distribution function in the divertor region of the COMPASS tokamak during neutral beam injection heating

NASA Astrophysics Data System (ADS)

Hasan, E.; Dimitrova, M.; Havlicek, J.; Mitošinková, K.; Stöckel, J.; Varju, J.; Popov, Tsv K.; Komm, M.; Dejarnac, R.; Hacek, P.; Panek, R.; the COMPASS Team

2018-02-01

This paper presents the results from swept probe measurements in the divertor region of the COMPASS tokamak in D-shaped, L-mode discharges, with toroidal magnetic field BT = 1.15 T, plasma current Ip = 180 kA and line-average electron densities varying from 2 to 8×1019 m-3. Using neutral beam injection heating, the electron energy distribution function is studied before and during the application of the beam. The current-voltage characteristics data are processed using the first-derivative probe technique. This technique allows one to evaluate the plasma potential and the real electron energy distribution function (respectively, the electron temperatures and densities). At the low average electron density of 2×1019 m-3, the electron energy distribution function is bi-Maxwellian with a low-energy electron population with temperatures 4-6 eV and a high-energy electron group 12-25 eV. As the line-average electron density is increased, the electron temperatures decrease. At line-average electron densities above 7×1019 m-3, the electron energy distribution function is found to be Maxwellian with a temperature of 6-8.5 eV. The effect of the neutral beam injection heating power in the divertor region is also studied.

Approved Methods and Algorithms for DoD Risk-Based Explosives Siting

DTIC Science & Technology

2007-02-02

glass. Pgha Probability of a person being in the glass hazard area Phit Probability of hit Phit (f) Probability of hit for fatality Phit (maji...Probability of hit for major injury Phit (mini) Probability of hit for minor injury Pi Debris probability densities at the ES PMaj (pair) Individual...combined high-angle and combined low-angle tables. A unique probability of hit is calculated for the three consequences of fatality, Phit (f), major injury

Electrofishing capture probability of smallmouth bass in streams

USGS Publications Warehouse

Dauwalter, D.C.; Fisher, W.L.

2007-01-01

Abundance estimation is an integral part of understanding the ecology and advancing the management of fish populations and communities. Mark-recapture and removal methods are commonly used to estimate the abundance of stream fishes. Alternatively, abundance can be estimated by dividing the number of individuals sampled by the probability of capture. We conducted a mark-recapture study and used multiple repeated-measures logistic regression to determine the influence of fish size, sampling procedures, and stream habitat variables on the cumulative capture probability for smallmouth bass Micropterus dolomieu in two eastern Oklahoma streams. The predicted capture probability was used to adjust the number of individuals sampled to obtain abundance estimates. The observed capture probabilities were higher for larger fish and decreased with successive electrofishing passes for larger fish only. Model selection suggested that the number of electrofishing passes, fish length, and mean thalweg depth affected capture probabilities the most; there was little evidence for any effect of electrofishing power density and woody debris density on capture probability. Leave-one-out cross validation showed that the cumulative capture probability model predicts smallmouth abundance accurately. ?? Copyright by the American Fisheries Society 2007.

Device and method for imploding a microsphere with a fast liner

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 or accelerator produces a high-voltage electron beam which propagates along a vacuum drift tube and is modulated to initiate electron bunching within the beam. The beam is then directed through a low-density gas chamber which provides isolation between the vacuum modulator and the relativistic electron beam target. The relativistic beam is then applied to a high-density target plasma which typically comprises DT, DD, hydrogen boron or similar thermonuclear gas at a density of 10.sup.17 to 10.sup.20 electrons per cubic centimeter. The target gas is ionized prior to application of the electron beam by means of a laser or other preionization source to form a plasma. Utilizing a relativistic electron beam with an individual particle energy exceeding 3 MeV, classical scattering by relativistic electrons passing through isolation foils is negligible. As a result, relativistic streaming instabilities are initiated within the high-density target plasma causing the relativistic electron beam to efficiently deposit its energy and momentum into a small localized region of the high-density plasma target. Fast liners disposed in the high-density target plasma are explosively or ablatively driven to implosion by a heated annular plasma surrounding the fast liner generated by an annular relativistic electron beam. An azimuthal magnetic field produced by axial current flow in the annular plasma, causes the energy in the heated annular plasma to converge on the fast liner to drive the fast liner to implode a microsphere.

Quantitative contribution of molecular orbitals to hydrogen bonding in a water dimer: Electron density projected integral (EDPI) analysis

NASA Astrophysics Data System (ADS)

Zhang, Zhiyuan; Jiang, Wanrun; Wang, Bo; Wang, Zhigang

2017-06-01

We introduce the orbital-resolved electron density projected integral (EDPI) along the H-bond in the real space to quantitatively investigate the specific contribution from the molecular orbitals (MOs) aspect in (H2O)2. Calculation results show that, the electronic occupied orbital (HOMO-4) of (H2O)2 accounts for about surprisingly 40% of the electron density at the bond critical point. Moreover, the electronic density difference analysis visualizes the electron accumulating effect of the orbital interaction within the H-bond between water molecules, supporting its covalent-like character. Our work expands the understanding of H-bond with specific contributions from certain MOs.

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.

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

PubMed

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

2017-09-25

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

Disilane as a growth rate catalyst of plasma deposited microcrystalline silicon thin films

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

Dimitrakellis, P.; Amanatides, E., E-mail: lef@plasmatech.gr; Mataras, D.

2016-07-15

The effect of small disilane addition on the gas phase properties of silane-hydrogen plasmas and the microcrystalline silicon thin films growth is presented. The investigation was conducted in the high pressure regime and for constant power dissipation in the discharge with the support of plasma diagnostics, thin film studies and calculations of discharge microscopic parameters and gas dissociation rates. The experimental data and the calculations show a strong effect of disilane on the electrical properties of the discharge in the pressure window from 2 to 3 Torr that is followed by significant raise of the electron number density and themore » drop of the sheaths electric field intensity. Deposition rate measurements show an important four to six times increase even for disilane mole fractions as low as 0.3 %. The deposition rate enhancement was followed by a drop of the material crystalline volume fraction but films with crystallinity above 40 % were deposited with different combinations of total gas pressure, disilane and silane molar ratios. The enhancement was partly explained by the increase of the electron impact dissociation rate of silane which rises by 40% even for 0.1% disilane mole fraction. The calculations of the gas usage, the dissociation and the deposition efficiencies show that the beneficial effect on the growth rate is not just the result of the increase of Si-containing molecules density but significant changes on the species participating to the deposition and the mechanism of the film growth are caused by the disilane addition. The enhanced participation of the highly sticking to the surface radical such as disilylene, which is the main product of disilane dissociation, was considered as the most probable reason for the significant raise of the deposition efficiency. The catalytic effect of such type of radical on the surface reactivity of species with lower sticking probability is further discussed, while it is also used to explain the restricted and sensitive process window where the disilane effect appears.« less

Disilane as a growth rate catalyst of plasma deposited microcrystalline silicon thin films

NASA Astrophysics Data System (ADS)

Dimitrakellis, P.; Kalampounias, A. G.; Spiliopoulos, N.; Amanatides, E.; Mataras, D.; Lahootun, V.; Coeuret, F.; Madec, A.

2016-07-01

The effect of small disilane addition on the gas phase properties of silane-hydrogen plasmas and the microcrystalline silicon thin films growth is presented. The investigation was conducted in the high pressure regime and for constant power dissipation in the discharge with the support of plasma diagnostics, thin film studies and calculations of discharge microscopic parameters and gas dissociation rates. The experimental data and the calculations show a strong effect of disilane on the electrical properties of the discharge in the pressure window from 2 to 3 Torr that is followed by significant raise of the electron number density and the drop of the sheaths electric field intensity. Deposition rate measurements show an important four to six times increase even for disilane mole fractions as low as 0.3 %. The deposition rate enhancement was followed by a drop of the material crystalline volume fraction but films with crystallinity above 40 % were deposited with different combinations of total gas pressure, disilane and silane molar ratios. The enhancement was partly explained by the increase of the electron impact dissociation rate of silane which rises by 40% even for 0.1% disilane mole fraction. The calculations of the gas usage, the dissociation and the deposition efficiencies show that the beneficial effect on the growth rate is not just the result of the increase of Si-containing molecules density but significant changes on the species participating to the deposition and the mechanism of the film growth are caused by the disilane addition. The enhanced participation of the highly sticking to the surface radical such as disilylene, which is the main product of disilane dissociation, was considered as the most probable reason for the significant raise of the deposition efficiency. The catalytic effect of such type of radical on the surface reactivity of species with lower sticking probability is further discussed, while it is also used to explain the restricted and sensitive process window where the disilane effect appears.

Plasma observations near saturn: initial results from voyager 2.

PubMed

Bridge, H S; Bagenal, F; Belcher, J W; Lazarus, A J; McNutt, R L; Sullivan, J D; Gazis, P R; Hartle, R E; Ogilvie, K W; Scudder, J D; Sittler, E C; Eviatar, A; Siscoe, G L; Goertz, C K; Vasyliunas, V M

1982-01-29

Results of measurements of plasma electrons and poitive ions made during the Voyager 2 encounter with Saturn have been combined with measurements from Voyager 1 and Pioneer 11 to define more clearly the configuration of plasma in the Saturnian magnetosphere. The general morphology is well represented by four regions: (i) the shocked solar wind plasma in the magnetosheath, observed between about 30 and 22 Saturn radii (RS) near the noon meridian; (ii) a variable density region between approximately 17 RS and the magnetopause; (iii) an extended thick plasma sheet between approximately 17 and approximately 7 RS symmetrical with respect to Saturn's equatorial plane and rotation axis; and (iv) an inner plasma torus that probably originates from local sources and extends inward from L approximately 7 to less than L approximately 2.7 (L is the magnetic shell parameter). In general, the heavy ions, probably O(+), are more closely confined to the equatorial plane than H(+), so that the ratio of heavy to light ions varies along the trajectory according to the distance of the spacecraft from the equatorial plane. The general configuration of the plasma sheet at Saturn found by Voyager 1 is confirmed, with some notable differences and additions. The "extended plasma sheet," observed between L approximately 7 and L approximately 15 by Voyager 1 is considerably thicker as observed by Voyager 2. Inward of L approximately 4, the plasma sheet collapses to a thin region about the equatorial plane. At the ring plane crossing, L approximately 2.7, the observations are consistent with a density of O(+) of approximately 100 per cubic centimeter, with a temperature of approximately 10 electron volts. The location of the bow shock and magnetopause crossings were consistent with those previously observed. The entire magnetosphere was larger during the outbound passage of Voyager 2 than had been previously observed; however, a magnetosphere of this size or larger is expected approximately 3 percent of the time.

A tool for the estimation of the distribution of landslide area in R

NASA Astrophysics Data System (ADS)

Rossi, M.; Cardinali, M.; Fiorucci, F.; Marchesini, I.; Mondini, A. C.; Santangelo, M.; Ghosh, S.; Riguer, D. E. L.; Lahousse, T.; Chang, K. T.; Guzzetti, F.

2012-04-01

We have developed a tool in R (the free software environment for statistical computing, http://www.r-project.org/) to estimate the probability density and the frequency density of landslide area. The tool implements parametric and non-parametric approaches to the estimation of the probability density and the frequency density of landslide area, including: (i) Histogram Density Estimation (HDE), (ii) Kernel Density Estimation (KDE), and (iii) Maximum Likelihood Estimation (MLE). The tool is available as a standard Open Geospatial Consortium (OGC) Web Processing Service (WPS), and is accessible through the web using different GIS software clients. We tested the tool to compare Double Pareto and Inverse Gamma models for the probability density of landslide area in different geological, morphological and climatological settings, and to compare landslides shown in inventory maps prepared using different mapping techniques, including (i) field mapping, (ii) visual interpretation of monoscopic and stereoscopic aerial photographs, (iii) visual interpretation of monoscopic and stereoscopic VHR satellite images and (iv) semi-automatic detection and mapping from VHR satellite images. Results show that both models are applicable in different geomorphological settings. In most cases the two models provided very similar results. Non-parametric estimation methods (i.e., HDE and KDE) provided reasonable results for all the tested landslide datasets. For some of the datasets, MLE failed to provide a result, for convergence problems. The two tested models (Double Pareto and Inverse Gamma) resulted in very similar results for large and very large datasets (> 150 samples). Differences in the modeling results were observed for small datasets affected by systematic biases. A distinct rollover was observed in all analyzed landslide datasets, except for a few datasets obtained from landslide inventories prepared through field mapping or by semi-automatic mapping from VHR satellite imagery. The tool can also be used to evaluate the probability density and the frequency density of landslide volume.

Electron density studies of methyl cellobioside

USDA-ARS?s Scientific Manuscript database

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

Intra-molecular Charge Transfer and Electron Delocalization in Non-fullerene Organic Solar Cells

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

Wu, Qinghe; Zhao, Donglin; Goldey, Matthew B.

Two types of electron acceptors were synthesized by coupling two kinds of electron-rich cores with four equivalent perylene diimides (PDIs) at the a position. With fully aromatic cores, TPB and TPSe have pi-orbitals spread continuously over the whole aromatic conjugated backbone, unlike TPC and TPSi, which contain isolated PDI units due to the use of a tetrahedron carbon or silicon linker. Density functional theory calculations of the projected density of states showed that the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) for TPB are localized in separate regions of space. Further, the LUMO of TPB showsmore » a greater contribution from the orbitals belonging to the connective core of the molecules than that of TPC. Overall, the properties of the HOMO and LUMO point at increased intra-molecular delocalization of negative charge carriers for TPB and TPSe than for TPC and TPSi and hence at a more facile intra-molecular charge transfer for the former. The film absorption and emission spectra showed evidences for the inter -molecular electron delocalization in TPB and TPSe, which is consistent with the network structure revealed by X-ray diffraction studies on single crystals of TPB. These features benefit the formation of charge transfer states and/or facilitate charge transport. Thus, higher electron mobility and higher charge dissociation probabilities under J(sc) condition were observed in blend films of TPB:PTB7-Th and TPSe:PTB7-Th than those in TPC:PTB7Th and TPSi:PTB7-Th blend films. As a result, the J(sc) and fill factor values of 15.02 mA/cm(2), 0.58 and 14.36 mA/cm(2), 0.55 for TPB- and TPSe-based solar cell are observed, whereas those for TPC and TPSi are 11.55 mA/cm2, 0.47 and 10.35 mA/cm(2), 0.42, respectively.« less

Thermal imaging diagnostics of high-current electron beams.

PubMed

Pushkarev, A; Kholodnaya, G; Sazonov, R; Ponomarev, D

2012-10-01

The thermal imaging diagnostics of measuring pulsed electron beam energy density is presented. It provides control of the electron energy spectrum and a measure of the density distribution of the electron beam cross section, the spatial distribution of electrons with energies in the selected range, and the total energy of the electron beam. The diagnostics is based on the thermal imager registration of the imaging electron beam thermal print in a material with low bulk density and low thermal conductivity. Testing of the thermal imaging diagnostics has been conducted on a pulsed electron accelerator TEU-500. The energy of the electrons was 300-500 keV, the density of the electron current was 0.1-0.4 kA/cm(2), the duration of the pulse (at half-height) was 60 ns, and the energy in the pulse was up to 100 J. To register the thermal print, a thermal imager Fluke-Ti10 was used. Testing showed that the sensitivity of a typical thermal imager provides the registration of a pulsed electron beam heat pattern within one pulse with energy density over 0.1 J/cm(2) (or with current density over 10 A/cm(2), pulse duration of 60 ns and electron energy of 400 keV) with the spatial resolution of 0.9-1 mm. In contrast to the method of using radiosensitive (dosimetric) materials, thermal imaging diagnostics does not require either expensive consumables, or plenty of processing time.

Accurate study on the quantum dynamics of the He + HeH(+) (X1Σ+) reaction on a new ab initio potential energy surface for the lowest 1(1)A' electronic singlet state.

PubMed

Xu, Wenwu; Zhang, Peiyu

2013-02-21

A time-dependent quantum wave packet method is used to investigate the dynamics of the He + HeH(+)(X(1)Σ(+)) reaction based on a new potential energy surface [Liang et al., J. Chem. Phys.2012, 136, 094307]. The coupled channel (CC) and centrifugal-sudden (CS) reaction probabilities as well as the total integral cross sections are calculated. A comparison of the results with and without Coriolis coupling revealed that the number of K states N(K) (K is the projection of the total angular momentum J on the body-fixed z axis) significantly influences the reaction threshold. The effective potential energy profiles of each N(K) for the He + HeH(+) reaction in a collinear geometry indicate that the barrier height gradually decreased with increased N(K). The calculated time evolution of CC and CS probability density distribution over the collision energy of 0.27-0.36 eV at total angular momentum J = 50 clearly suggests a lower reaction threshold of CC probabilities. The CC cross sections are larger than the CS results within the entire energy range, demonstrating that the Coriolis coupling effect can effectively promote the He + HeH(+) reaction.

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

Raymund, T.D.

Recently, several tomographic techniques for ionospheric electron density imaging have been proposed. These techniques reconstruct a vertical slice image of electron density using total electron content data. The data are measured between a low orbit beacon satellite and fixed receivers located along the projected orbital path of the satellite. By using such tomographic techniques, it may be possible to inexpensively (relative to incoherent scatter techniques) image the ionospheric electron density in a vertical plane several times per day. The satellite and receiver geometry used to measure the total electron content data causes the data to be incomplete; that is, themore » measured data do not contain enough information to completely specify the ionospheric electron density distribution in the region between the satellite and the receivers. A new algorithm is proposed which allows the incorporation of other complementary measurements, such as those from ionosondes, and also includes ways to include a priori information about the unknown electron density distribution in the reconstruction process. The algorithm makes use of two-dimensional basis functions. Illustrative application of this algorithm is made to simulated cases with good results. The technique is also applied to real total electron content (TEC) records collected in Scandinavia in conjunction with the EISCAT incoherent scatter radar. The tomographic reconstructions are compared with the incoherent scatter electron density images of the same region of the ionosphere.« less

Effect of electronic coupling of Watson-Crick hopping in DNA poly(dA)-poly(dT)

NASA Astrophysics Data System (ADS)

Risqi, A. M.; Yudiarsah, E.

2017-07-01

Charge transport properties of poly(dA)-poly(dT) DNA has been studied by using thigh binding Hamiltonian approach. Molecule DNA that we use consist of 32 base pair of adenine (A) and thymine (T) and backbone is consist of phosphate and sugar. The molecule DNA is contacted electrode at both ends. Charge transport in molecule DNA depend on the environment, we studied the effect of electronic coupling of Watson-Crick hopping in poly(dA)-poly(dT) DNA to transmission probability and characteristic I-V. The electronic coupling constant influence charge transport between adenine-thymine base pairs at the same site. Transmission probability is studied by using transfer matrix and scattering matrix method, and the result of transmission probability is used to calculate the characteristic I-V by using formula Landauer Buttiker. The result shows that when the electronic coupling increase then transmission probability and characteristic I-V increase slightly.

Integrating resource selection information with spatial capture--recapture

USGS Publications Warehouse

Royle, J. Andrew; Chandler, Richard B.; Sun, Catherine C.; Fuller, Angela K.

2013-01-01

4. Finally, we find that SCR models using standard symmetric and stationary encounter probability models may not fully explain variation in encounter probability due to space usage, and therefore produce biased estimates of density when animal space usage is related to resource selection. Consequently, it is important that space usage be taken into consideration, if possible, in studies focused on estimating density using capture–recapture methods.

Effect of Phonotactic Probability and Neighborhood Density on Word-Learning Configuration by Preschoolers with Typical Development and Specific Language Impairment

ERIC Educational Resources Information Center

Gray, Shelley; Pittman, Andrea; Weinhold, Juliet

2014-01-01

Purpose: In this study, the authors assessed the effects of phonotactic probability and neighborhood density on word-learning configuration by preschoolers with specific language impairment (SLI) and typical language development (TD). Method: One hundred thirty-one children participated: 48 with SLI, 44 with TD matched on age and gender, and 39…

The Effect of Phonotactic Probability and Neighbourhood Density on Pseudoword Learning in 6- and 7-Year-Old Children

ERIC Educational Resources Information Center

van der Kleij, Sanne W.; Rispens, Judith E.; Scheper, Annette R.

2016-01-01

The aim of this study was to examine the influence of phonotactic probability (PP) and neighbourhood density (ND) on pseudoword learning in 17 Dutch-speaking typically developing children (mean age 7;2). They were familiarized with 16 one-syllable pseudowords varying in PP (high vs low) and ND (high vs low) via a storytelling procedure. The…

Band-gap engineering of La1-x Nd x AlO3 (x = 0, 0.25, 0.50, 0.75, 1) perovskite using density functional theory: A modified Becke Johnson potential study

NASA Astrophysics Data System (ADS)

Sandeep; D, P. Rai; A, Shankar; M, P. Ghimire; Anup Pradhan, Sakhya; T, P. Sinha; R, Khenata; S, Bin Omran; R, K. Thapa

2016-06-01

The structural, electronic, and magnetic properties of the Nd-doped Rare earth aluminate, La1-x Nd x AlO3 (x = 0% to 100%) alloys are studied using the full potential linearized augmented plane wave (FP-LAPW) method within the density functional theory. The effects of the Nd substitution in LaAlO3 are studied using the supercell calculations. The computed electronic structure with the modified Becke-Johnson (mBJ) potential based approximation indicates that the La1-x Nd x AlO3 alloys may possess half-metallic (HM) behaviors when doped with Nd of a finite density of states at the Fermi level (E F). The direct and indirect band gaps are studied each as a function of x which is the concentration of Nd-doped LaAlO3. The calculated magnetic moments in the La1-x Nd x AlO3 alloys are found to arise mainly from the Nd-4f state. A probable half-metallic nature is suggested for each of these systems with supportive integral magnetic moments and highly spin-polarized electronic structures in these doped systems at E F. The observed decrease of the band gap with the increase in the concentration of Nd doping in LaAlO3 is a suitable technique for harnessing useful spintronic and magnetic devices. Project supported by the DST-SERB, Dy (Grant No. SERB/3586/2013-14), the UGCBSR, FRPS (Grant No. F.30-52/2014), the UGC (New Delhi, India) Inspire Fellowship DST (India), and the Deanship of Scientific Research at King Saud University (Grant No. RPG-VPP-088). M P Ghimire thanks the Alexander von Humboldt Foundation, Germany for the financial support.

Negative charge emission due to excimer laser bombardment of sodium trisilicate glass

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

Langford, S.C.; Jensen, L.C.; Dickinson, J.T.

We describe measurements of negative charge emission accompanying irradiation of sodium trisilicate glass (Na{sub 2}O{center dot}3SiO{sub 2}) with 248-nm excimer laser light at fluences on the order of 2 J/cm{sup 2} per pulse, i.e., at the threshold for ablative etching of the glass surface. The negative charge emission consists of a very prompt photoelectron burst coincident with the laser pulse, followed by a much slower plume of electrons and negative ions traveling with a high density cloud of positive ions, previously identified as primarily Na{sup +}. Using combinations of {bold E} and {bold B} fields in conjunction with time-of-flight methods,more » the negative ions were successfully separated from the plume and tentatively identified as O{sup {minus}}, Si{sup {minus}}, NaO{sup {minus}}, and perhaps NaSi{sup {minus}}. These negative species are probably formed by gas phase collisions in the near-surface region which result in electron attachment.« less

The general setting for the zero-flux condition: The lagrangian and zero-flux conditions that give the heisenberg equation of motion.

PubMed

Anderson, James S M; Ayers, Paul W

2018-06-30

Generalizing our recent work on relativistic generalizations of the quantum theory of atoms in molecules, we present the general setting under which the principle of stationary action for a region leads to open quantum subsystems. The approach presented here is general and works for any Hamiltonian, and when a reasonable Lagrangian is selected, it often leads to the integral of the Laplacian of the electron density on the region vanishing as a necessary condition for the zero-flux surface. Alternatively, with this method, one can design a Lagrangian that leads to a surface of interest (though this Lagrangian may not be, and indeed probably will not be, "reasonable"). For any reasonable Lagrangian for the electronic wave function and any two-component method (related by integration by parts to the Hamiltonian) considered, the Bader definition of an atom is recaptured. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Size-dependent fracture mode transition in copper nanowires.

PubMed

Peng, Cheng; Zhan, Yongjie; Lou, Jun

2012-06-25

In situ uni-axial tensile tests of single-crystalline copper nanowires are performed using a micromechanical device inside a scanning electron microscope chamber. The single-crystalline copper nanowires are synthesized by solvothermal processes, and the growth direction along the wire axis is the <110> orientation as confirmed by transmission electron microscopy (TEM) selected area diffraction (SAD) analysis. The fracture strengths of copper nanowires are found to be much higher than that of bulk copper. More interestingly, both ductile and brittle-like fracture modes are found in the same batch of fabricated nanowires, and the fracture modes appear to be dependent on the diameters of tested nanowires. From the analysis of fracture surfaces, sample morphologies and corresponding stress-strain curves, the competition between deformation and fracture mechanisms controlled by initial defects density and by the probability of dislocation interactions is attributed to this intriguing size-dependent fracture mode transition. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

STM-electroluminescence from clustered C3N4 nanodomains synthesized via green chemistry process.

PubMed

Andrade, E P; Costa, B B A; Chaves, C R; de Paula, A M; Cury, L A; Malachias, A; Safar, G A M

2018-01-01

A Scanning Tunneling Microscopy/Spectroscopy (STM/STS) and synchrotron X-ray diffraction study on clustered C 3 N 4 nanoparticles (nanoflakes) is conducted on green-chemistry synthesized samples obtained from chitosan through high power sonication. Morphological aspects and the electronic characteristics are investigated. The observed bandgap of the nanoflakes reveals the presence of different phases in the material. Combining STM morphology, STS spectra and X-ray diffraction (XRD) results one finds that the most abundant phase is graphitic C 3 N 4 . A high density of defects is inferred from the XRD measurements. Additionally, STM-electroluminescence (STMEL) is detected in C 3 N 4 nanoflakes deposited on a gold substrate. The tunneling current creates photons that are three times more energetic than the tunneling electrons of the STM sample. We ponder about the two most probable models to explain the observed photon emission energy: either a nonlinear optical phenomenon or a localized state emission. Copyright © 2017 Elsevier B.V. All rights reserved.

Quantum transport in new two-dimensional heterostructures: Thin films of topological insulators, phosphorene

NASA Astrophysics Data System (ADS)

Majidi, Leyla; Zare, Moslem; Asgari, Reza

2018-06-01

The unusual features of the charge and spin transport characteristics are investigated in new two-dimensional heterostructures. Intraband specular Andreev reflection is realized in a topological insulator thin film normal/superconducting junction in the presence of a gate electric field. Perfect specular electron-hole conversion is shown for different excitation energy values in a wide experimentally available range of the electric field and also for all angles of incidence when the excitation energy has a particular value. It is further demonstrated that the transmission probabilities of the incoming electrons from different spin subbands to the monolayer phosphorene ferromagnetic/normal/ferromagnetic (F/N/F) hybrid structure have different behavior with the angle of incidence and perfect transmission occurs at defined angles of incidence to the proposed structure with different length of the N region, and different alignments of magnetization vectors. Moreover, the sign change of the spin-current density is demonstrated by tuning the chemical potential and exchange field of the F region.

Material dependence of 2H(d,p)3H cross section at the very low energies

NASA Astrophysics Data System (ADS)

Kılıç, Ali İhsan; Czerski, Konrad; Kuştan-Kılıç, Fadime; Targosz-Sleczka, Natalia; Weissbach, Daniel; Huke, Armin; Ruprecht, Götz

2017-09-01

Calculations of the material dependence of 2H(d,p)3H cross section and neutron-to-proton branching ratio of d+d reactions have been performed including a concept of the 0+ threshold single particle resonance. The resonance has been assumed to explain the enhanced electron screening effect observed in the d+d reaction for different metallic targets. Here, we have included interference effects between the flat and resonance part of the cross section, which allowed us to enlighten observed suppression of the neutron channel in some metals such as Sr and Li. Since the position of the resonance depends on the screening energy that strongly depends on the local electron density. The resonance width, observed for the d+d reactions in the very hygroscopic metals (Sr and Li) and therefore probably contaminated by oxides, should be much larger than for other metals. Thus, the interference term of the cross section depending on the total resonance width provides the material dependences.

Anomalous behavior of the ionosphere before strong earthquakes

NASA Astrophysics Data System (ADS)

Peddi Naidu, P.; Madhavi Latha, T.; Madhusudhana Rao, D. N.; Indira Devi, M.

2017-12-01

In the recent years, the seismo-ionospheric coupling has been studied using various ionospheric parameters like Total Electron Content, Critical frequencies, Electron density and Phase and amplitude of Very Low Frequency waves. The present study deals with the behavior of the ionosphere in the pre-earthquake period of 3-4 days at various stations adopting the critical frequencies of Es and F2 layers. The relative phase measurements of 16 kHz VLF wave transmissions from Rugby (UK), received at Visakhapatnam (India) are utilized to study the D-region during the seismically active periods. The results show that, f0Es increases a few hours before the time of occurrence of the earthquake and day time values f0F2 are found to be high during the sunlit hours in the pre-earthquake period of 2-3 days. Anomalous VLF phase fluctuations are observed during the sunset hours before the earthquake event. The results are discussed in the light of the probable mechanism proposed by previous investigators.

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

Verheest, Frank, E-mail: frank.verheest@ugent.be; School of Chemistry and Physics, University of KwaZulu-Natal, Durban 4000; Hellberg, Manfred A., E-mail: hellberg@ukzn.ac.za

The propagation of arbitrary amplitude electron-acoustic solitons and double layers is investigated in a plasma containing cold positive ions, cool adiabatic and hot isothermal electrons, with the retention of full inertial effects for all species. For analytical tractability, the resulting Sagdeev pseudopotential is expressed in terms of the hot electron density, rather than the electrostatic potential. The existence domains for Mach numbers and hot electron densities clearly show that both rarefactive and compressive solitons can exist. Soliton limitations come from the cool electron sonic point, followed by the hot electron sonic point, until a range of rarefactive double layers occurs.more » Increasing the relative cool electron density further yields a switch to compressive double layers, which ends when the model assumptions break down. These qualitative results are but little influenced by variations in compositional parameters. A comparison with a Boltzmann distribution for the hot electrons shows that only the cool electron sonic point limit remains, giving higher maximum Mach numbers but similar densities, and a restricted range in relative hot electron density before the model assumptions are exceeded. The Boltzmann distribution can reproduce neither the double layer solutions nor the switch in rarefactive/compressive character or negative/positive polarity.« less

Talbot-Lau x-ray deflectometer electron density diagnostic for laser and pulsed power high energy density plasma experiments (invited).

PubMed

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

2016-11-01

Talbot-Lau X-ray deflectometry (TXD) has been developed as an electron density diagnostic for High Energy Density (HED) 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 were demonstrated for 25-29 J, 8-30 ps laser pulses using copper foil targets. Moiré pattern formation and grating survival were also observed using a copper x-pinch driven at 400 kA, ∼1 kA/ns. These results demonstrate the potential of TXD as an electron density diagnostic for HED plasmas.

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.

Properties of the probability density function of the non-central chi-squared distribution

NASA Astrophysics Data System (ADS)

András, Szilárd; Baricz, Árpád

2008-10-01

In this paper we consider the probability density function (pdf) of a non-central [chi]2 distribution with arbitrary number of degrees of freedom. For this function we prove that can be represented as a finite sum and we deduce a partial derivative formula. Moreover, we show that the pdf is log-concave when the degrees of freedom is greater or equal than 2. At the end of this paper we present some Turán-type inequalities for this function and an elegant application of the monotone form of l'Hospital's rule in probability theory is given.

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

PubMed

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

2016-10-18

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

Assessing hypotheses about nesting site occupancy dynamics

USGS Publications Warehouse

Bled, Florent; Royle, J. Andrew; Cam, Emmanuelle

2011-01-01

Hypotheses about habitat selection developed in the evolutionary ecology framework assume that individuals, under some conditions, select breeding habitat based on expected fitness in different habitat. The relationship between habitat quality and fitness may be reflected by breeding success of individuals, which may in turn be used to assess habitat quality. Habitat quality may also be assessed via local density: if high-quality sites are preferentially used, high density may reflect high-quality habitat. Here we assessed whether site occupancy dynamics vary with site surrogates for habitat quality. We modeled nest site use probability in a seabird subcolony (the Black-legged Kittiwake, Rissa tridactyla) over a 20-year period. We estimated site persistence (an occupied site remains occupied from time t to t + 1) and colonization through two subprocesses: first colonization (site creation at the timescale of the study) and recolonization (a site is colonized again after being deserted). Our model explicitly incorporated site-specific and neighboring breeding success and conspecific density in the neighborhood. Our results provided evidence that reproductively "successful'' sites have a higher persistence probability than "unsuccessful'' ones. Analyses of site fidelity in marked birds and of survival probability showed that high site persistence predominantly reflects site fidelity, not immediate colonization by new owners after emigration or death of previous owners. There is a negative quadratic relationship between local density and persistence probability. First colonization probability decreases with density, whereas recolonization probability is constant. This highlights the importance of distinguishing initial colonization and recolonization to understand site occupancy. All dynamics varied positively with neighboring breeding success. We found evidence of a positive interaction between site-specific and neighboring breeding success. We addressed local population dynamics using a site occupancy approach integrating hypotheses developed in behavioral ecology to account for individual decisions. This allows development of models of population and metapopulation dynamics that explicitly incorporate ecological and evolutionary processes.

Possible standoff detection of ionizing radiation using high-power THz electromagnetic waves

NASA Astrophysics Data System (ADS)

Nusinovich, Gregory S.; Sprangle, Phillip; Romero-Talamas, Carlos A.; Rodgers, John; Pu, Ruifeng; Kashyn, Dmytro G.; Antonsen, Thomas M., Jr.; Granatstein, Victor L.

2012-06-01

Recently, a new method of remote detection of concealed radioactive materials was proposed. This method is based on focusing high-power short wavelength electromagnetic radiation in a small volume where the wave electric field exceeds the breakdown threshold. In the presence of free electrons caused by ionizing radiation, in this volume an avalanche discharge can then be initiated. When the wavelength is short enough, the probability of having even one free electron in this small volume in the absence of additional sources of ionization is low. Hence, a high breakdown rate will indicate that in the vicinity of this volume there are some materials causing ionization of air. To prove this concept a 0.67 THz gyrotron delivering 200-300 kW power in 10 microsecond pulses is under development. This method of standoff detection of concealed sources of ionizing radiation requires a wide range of studies, viz., evaluation of possible range, THz power and pulse duration, production of free electrons in air by gamma rays penetrating through container walls, statistical delay time in initiation of the breakdown in the case of low electron density, temporal evolution of plasma structure in the breakdown and scattering of THz radiation from small plasma objects. Most of these issues are discussed in the paper.

Modern Possibilities for Calculating Some Properties of Molecules and Crystals from the Experimental Electron Density

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

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 itmore » 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.« less

Probability of detection of defects in coatings with electronic shearography

NASA Astrophysics Data System (ADS)

Maddux, Gary A.; Horton, Charles M.; Lansing, Matthew D.; Gnacek, William J.; Newton, Patrick L.

1994-07-01

The goal of this research was to utilize statistical methods to evaluate the probability of detection (POD) of defects in coatings using electronic shearography. The coating system utilized in the POD studies was to be the paint system currently utilized on the external casings of the NASA Space Transportation System (STS) Revised Solid Rocket Motor (RSRM) boosters. The population of samples was to be large enough to determine the minimum defect size for 90 percent probability of detection of 95 percent confidence POD on these coatings. Also, the best methods to excite coatings on aerospace components to induce deformations for measurement by electronic shearography were to be determined.

Probability of detection of defects in coatings with electronic shearography

NASA Technical Reports Server (NTRS)

Maddux, Gary A.; Horton, Charles M.; Lansing, Matthew D.; Gnacek, William J.; Newton, Patrick L.

1994-01-01

The goal of this research was to utilize statistical methods to evaluate the probability of detection (POD) of defects in coatings using electronic shearography. The coating system utilized in the POD studies was to be the paint system currently utilized on the external casings of the NASA Space Transportation System (STS) Revised Solid Rocket Motor (RSRM) boosters. The population of samples was to be large enough to determine the minimum defect size for 90 percent probability of detection of 95 percent confidence POD on these coatings. Also, the best methods to excite coatings on aerospace components to induce deformations for measurement by electronic shearography were to be determined.

Topology of the electron density of d0 transition metal compounds at subatomic resolution.

PubMed

Batke, Kilian; Eickerling, Georg

2013-11-14

Accurate X-ray diffraction experiments allow for a reconstruction of the electron density distribution of solids and molecules in a crystal. The basis for the reconstruction of the electron density is in many cases a multipolar expansion of the X-ray scattering factors in terms of spherical harmonics, a so-called multipolar model. This commonly used ansatz splits the total electron density of each pseudoatom in the crystal into (i) a spherical core, (ii) a spherical valence, and (iii) a nonspherical valence contribution. Previous studies, for example, on diamond and α-silicon have already shown that this approximation is no longer valid when ultrahigh-resolution diffraction data is taken into account. We report here the results of an analysis of the calculated electron density distribution in the d(0) transition metal compounds [TMCH3](2+) (TM = Sc, Y, and La) at subatomic resolution. By a detailed molecular orbital analysis, it is demonstrated that due to the radial nodal structure of the 3d, 4d, and 5d orbitals involved in the TM-C bond formation a significant polarization of the electron density in the inner electronic shells of the TM atoms is observed. We further show that these polarizations have to be taken into account by an extended multipolar model in order to recover accurate electron density distributions from high-resolution structure factors calculated for the title compounds.

Radiative one- and two-electron transitions into the empty K shell of He-like ions

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

Kadrekar, Riddhi; Natarajan, L.

2011-12-15

The branching ratios between the single and double electron radiative transitions to empty K shell in He-like ions with 2s2p configuration are evaluated for 15 ions with 4{<=}Z{<=}26 using fully relativistic multiconfiguration Dirac-Fock wavefunctions in the active space approximation. The effects of configuration interaction and Breit contributions on the transition parameters have been analyzed in detail. Though the influence of Breit interaction on the electric dipole allowed one-electron radiative transitions is negligible, it substantially changes the spin-forbidden rates and the two-electron one-photon transition probabilities. Also, while the single electron transition rates are gauge independent, the correlated double-electron probabilities are foundmore » to be gauge sensitive. The probable uncertainties in the computed transition rates have been evaluated by considering the line strengths and the differences between the calculated and experimental transition energies as accuracy indicators. The present results are compared with other available experimental and theoretical data.« less

Estimating the influence of population density and dispersal behavior on the ability to detect and monitor Agrilus planipennis (Coleoptera: Buprestidae) populations.

PubMed

Mercader, R J; Siegert, N W; McCullough, D G

2012-02-01

Emerald ash borer, Agrilus planipennis Fairmaire (Coleoptera: Buprestidae), a phloem-feeding pest of ash (Fraxinus spp.) trees native to Asia, was first discovered in North America in 2002. Since then, A. planipennis has been found in 15 states and two Canadian provinces and has killed tens of millions of ash trees. Understanding the probability of detecting and accurately delineating low density populations of A. planipennis is a key component of effective management strategies. Here we approach this issue by 1) quantifying the efficiency of sampling nongirdled ash trees to detect new infestations of A. planipennis under varying population densities and 2) evaluating the likelihood of accurately determining the localized spread of discrete A. planipennis infestations. To estimate the probability a sampled tree would be detected as infested across a gradient of A. planipennis densities, we used A. planipennis larval density estimates collected during intensive surveys conducted in three recently infested sites with known origins. Results indicated the probability of detecting low density populations by sampling nongirdled trees was very low, even when detection tools were assumed to have three-fold higher detection probabilities than nongirdled trees. Using these results and an A. planipennis spread model, we explored the expected accuracy with which the spatial extent of an A. planipennis population could be determined. Model simulations indicated a poor ability to delineate the extent of the distribution of localized A. planipennis populations, particularly when a small proportion of the population was assumed to have a higher propensity for dispersal.

On Schrödinger's bridge problem

NASA Astrophysics Data System (ADS)

Friedland, S.

2017-11-01

In the first part of this paper we generalize Georgiou-Pavon's result that a positive square matrix can be scaled uniquely to a column stochastic matrix which maps a given positive probability vector to another given positive probability vector. In the second part we prove that a positive quantum channel can be scaled to another positive quantum channel which maps a given positive definite density matrix to another given positive definite density matrix using Brouwer's fixed point theorem. This result proves the Georgiou-Pavon conjecture for two positive definite density matrices, made in their recent paper. We show that the fixed points are unique for certain pairs of positive definite density matrices. Bibliography: 15 titles.

Use of total electron content data to analyze ionosphere electron density gradients

NASA Astrophysics Data System (ADS)

Nava, B.; Radicella, S. M.; Leitinger, R.; Coïsson, P.

In the presence of electron density gradients the thin shell approximation for the ionosphere, used together with a simple mapping function to convert slant total electron content (TEC) to vertical TEC, could lead to TEC conversion errors. These "mapping function errors" can therefore be used to detect the electron density gradients in the ionosphere. In the present work GPS derived slant TEC data have been used to investigate the effects of the electron density gradients in the middle and low latitude ionosphere under geomagnetic quiet and disturbed conditions. In particular the data corresponding to the geographic area of the American Sector for the days 5-7 April 2000 have been used to perform a complete analysis of mapping function errors based on the "coinciding pierce point technique". The results clearly illustrate the electron density gradient effects according to the locations considered and to the actual levels of disturbance of the ionosphere. In addition, the possibility to assess an ionospheric shell height able to minimize the mapping function errors has been verified.

Density probability distribution functions of diffuse gas in the Milky Way

NASA Astrophysics Data System (ADS)

Berkhuijsen, E. M.; Fletcher, A.

2008-10-01

In a search for the signature of turbulence in the diffuse interstellar medium (ISM) in gas density distributions, we determined the probability distribution functions (PDFs) of the average volume densities of the diffuse gas. The densities were derived from dispersion measures and HI column densities towards pulsars and stars at known distances. The PDFs of the average densities of the diffuse ionized gas (DIG) and the diffuse atomic gas are close to lognormal, especially when lines of sight at |b| < 5° and |b| >= 5° are considered separately. The PDF of at high |b| is twice as wide as that at low |b|. The width of the PDF of the DIG is about 30 per cent smaller than that of the warm HI at the same latitudes. The results reported here provide strong support for the existence of a lognormal density PDF in the diffuse ISM, consistent with a turbulent origin of density structure in the diffuse gas.

Experimental investigation of mode transitions in asymmetric capacitively coupled radio-frequency Ne and CF4 plasmas

NASA Astrophysics Data System (ADS)

Liu, Gang-Hu; Liu, Yong-Xin; Bai, Li-Shui; Zhao, Kai; Wang, You-Nian

2018-02-01

The dependence of the electron density and the emission intensity on external parameters during the transitions of the electron power absorption mode is experimentally studied in asymmetric electropositive (neon) and electronegative (CF4) capacitively coupled radio-frequency plasmas. The spatio-temporal distribution of the emission intensity is measured with phase resolved optical emission spectroscopy and the electron density at the discharge center is measured by utilizing a floating hairpin probe. In neon discharge, the emission intensity increases almost linearly with the rf voltage at all driving frequencies covered here, while the variation of the electron density with the rf voltage behaves differently at different driving frequencies. In particular, the electron density increases linearly with the rf voltage at high driving frequencies, while at low driving frequencies the electron density increases slowly at the low-voltage side and, however, grows rapidly, when the rf voltage is higher than a certain value, indicating a transition from α to γ mode. The rf voltage, at which the mode transition occurs, increases with the decrease of the driving frequency/the working pressure. By contrast, in CF4 discharge, three different electron power absorption modes can be observed and the electron density and emission intensity do not exhibit a simple dependence on the rf voltage. In particular, the electron density exhibits a minimum at a certain rf voltage when the electron power absorption mode is switching from drift-ambipolar to the α/γ mode. A minimum can also be found in the emission intensity at a higher rf voltage when a discharge is switching into the γ mode.

Marshall N. Rosenbluth Outstanding Doctoral Thesis Award Talk: Simultaneous Measurement of Electron Temperature and Density Fluctuations in the Core of DIII-D Plasmas

NASA Astrophysics Data System (ADS)

White, A. E.

2009-11-01

Multi-field fluctuation measurements provide opportunities for rigorous comparison between experiment and nonlinear gyrokinetic turbulence simulations. A unique set of diagnostics on DIII-D allows for simultaneous study of local, long-wavelength (0 < kθρs< 0.5) electron temperature and density fluctuations in the core plasma (0.4 < ρ< 0.8). Previous experiments in L-mode indicate that normalized electron temperature fluctuation levels (40 < f < 400,kHz) increase with radius from ˜0.4% at ρ= 0.5 to ˜2% at ρ=0.8, similar to simultaneously measured density fluctuations. Electron cyclotron heating (ECH) is used to increase Te, which increases electron temperature fluctuation levels and electron heat transport in the experiments. In contrast, long wavelength density fluctuation levels change very little. The different responses are consistent with increased TEM drive relative to ITG-mode drive. A new capability at DIII-D is the measurement of phase angle between electron temperature and density fluctuations using coupled correlation electron cyclotron emission radiometer and reflectometer diagnostics. Linear and nonlinear GYRO runs have been used to design validation experiments that focus on measurements of the phase angle. GYRO shows that if Te and ∇Te increase 50% in a beam-heated L-mode plasma (ρ=0.5), then the phase angle between electron temperature and density fluctuations decreases 30%-50% and electron temperature fluctuation levels increase a factor of two more than density fluctuations. Comparisons between these predictions and experimental results will be presented.

Effect of Segmented Electrode Length on the Performances of an Aton-Type Hall Thruster

NASA Astrophysics Data System (ADS)

Duan, Ping; Bian, Xingyu; Cao, Anning; Liu, Guangrui; Chen, Long; Yin, Yan

2016-05-01

The influences of the low-emissive graphite segmented electrode placed near the channel exit on the discharge characteristics of a Hall thruster are studied using the particle-in-cell method. A two-dimensional physical model is established according to the Hall thruster discharge channel configuration. The effects of electrode length on the potential, ion density, electron temperature, ionization rate and discharge current are investigated. It is found that, with the increasing of the segmented electrode length, the equipotential lines bend towards the channel exit, and approximately parallel to the wall at the channel surface, the radial velocity and radial flow of ions are increased, and the electron temperature is also enhanced. Due to the conductive characteristic of electrodes, the radial electric field and the axial electron conductivity near the wall are enhanced, and the probability of the electron-atom ionization is reduced, which leads to the degradation of the ionization rate in the discharge channel. However, the interaction between electrons and the wall enhances the near wall conductivity, therefore the discharge current grows along with the segmented electrode length, and the performance of the thruster is also affected. supported by National Natural Science Foundation of China (Nos. 11375039 and 11275034) and the Key Project of Science and Technology of Liaoning Province, China (No. 2011224007) and the Fundamental Research Funds for the Central Universities, China (No. 3132014328)

Phosphorus and carrier density of heavily n-type doped germanium

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

Takinai, K.; Wada, K.

2016-05-14

The threshold current density of n-type, tensile-strained Ge lasers strongly depends on the electron density. Although optical net gain analyses indicate that the optimum electron density should be on the order of 1 × 10{sup 20} cm{sup −3} to get the lowest threshold, it is not a simple task to increase the electron density beyond the mid range of 10{sup 19} cm{sup −3}. The present paper analyzes the phenomenon where electron density is not proportional to phosphorus donor density, i.e., “saturation” phenomenon, by applying the so-called amphoteric defect model. The analyses indicate that the saturation phenomenon can be well explained by the charge compensationmore » between the phosphorus donors (P{sup +}) and doubly negative charged Ge vacancies (V{sup 2−}).« less

Geotechnical parameter spatial distribution stochastic analysis based on multi-precision information assimilation

NASA Astrophysics Data System (ADS)

Wang, C.; Rubin, Y.

2014-12-01

Spatial distribution of important geotechnical parameter named compression modulus Es contributes considerably to the understanding of the underlying geological processes and the adequate assessment of the Es mechanics effects for differential settlement of large continuous structure foundation. These analyses should be derived using an assimilating approach that combines in-situ static cone penetration test (CPT) with borehole experiments. To achieve such a task, the Es distribution of stratum of silty clay in region A of China Expo Center (Shanghai) is studied using the Bayesian-maximum entropy method. This method integrates rigorously and efficiently multi-precision of different geotechnical investigations and sources of uncertainty. Single CPT samplings were modeled as a rational probability density curve by maximum entropy theory. Spatial prior multivariate probability density function (PDF) and likelihood PDF of the CPT positions were built by borehole experiments and the potential value of the prediction point, then, preceding numerical integration on the CPT probability density curves, the posterior probability density curve of the prediction point would be calculated by the Bayesian reverse interpolation framework. The results were compared between Gaussian Sequential Stochastic Simulation and Bayesian methods. The differences were also discussed between single CPT samplings of normal distribution and simulated probability density curve based on maximum entropy theory. It is shown that the study of Es spatial distributions can be improved by properly incorporating CPT sampling variation into interpolation process, whereas more informative estimations are generated by considering CPT Uncertainty for the estimation points. Calculation illustrates the significance of stochastic Es characterization in a stratum, and identifies limitations associated with inadequate geostatistical interpolation techniques. This characterization results will provide a multi-precision information assimilation method of other geotechnical parameters.

Viking Doppler noise used to determine the radial dependence of electron density in the extended corona

NASA Technical Reports Server (NTRS)

Berman, A. L.; Wackley, J. A.; Rockwell, S. T.; Kwan, M.

1977-01-01

The common form for radial dependence of electron density in the extended corona is given. By assuming proportionality between Doppler noise and integrated signal path electron density, Viking Doppler noise can be used to solve for a numerical value of X.

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

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

Hedegård, Erik Donovan, E-mail: erik.hedegard@phys.chem.ethz.ch; Knecht, Stefan; Reiher, Markus, E-mail: markus.reiher@phys.chem.ethz.ch

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.

Brain Tissue Compartment Density Estimated Using Diffusion-Weighted MRI Yields Tissue Parameters Consistent With Histology

PubMed Central

Sepehrband, Farshid; Clark, Kristi A.; Ullmann, Jeremy F.P.; Kurniawan, Nyoman D.; Leanage, Gayeshika; Reutens, David C.; Yang, Zhengyi

2015-01-01

We examined whether quantitative density measures of cerebral tissue consistent with histology can be obtained from diffusion magnetic resonance imaging (MRI). By incorporating prior knowledge of myelin and cell membrane densities, absolute tissue density values were estimated from relative intra-cellular and intra-neurite density values obtained from diffusion MRI. The NODDI (neurite orientation distribution and density imaging) technique, which can be applied clinically, was used. Myelin density estimates were compared with the results of electron and light microscopy in ex vivo mouse brain and with published density estimates in a healthy human brain. In ex vivo mouse brain, estimated myelin densities in different sub-regions of the mouse corpus callosum were almost identical to values obtained from electron microscopy (Diffusion MRI: 42±6%, 36±4% and 43±5%; electron microscopy: 41±10%, 36±8% and 44±12% in genu, body and splenium, respectively). In the human brain, good agreement was observed between estimated fiber density measurements and previously reported values based on electron microscopy. Estimated density values were unaffected by crossing fibers. PMID:26096639

Recent Results with CVD Diamond Trackers

NASA Astrophysics Data System (ADS)

Adam, W.; Bauer, C.; Berdermann, E.; Bergonzo, P.; Bogani, F.; Borchi, E.; Brambilla, A.; Bruzzi, M.; Colledani, C.; Conway, J.; Dabrowski, W.; Delpierre, P.; Deneuville, A.; Dulinski, W.; van Eijk, B.; Fallou, A.; Fizzotti, F.; Foulon, F.; Friedl, M.; Gan, K. K.; Gheeraert, E.; Grigoriev, E.; Hallewell, G.; Hall-Wilton, R.; Han, S.; Hartjes, F.; Hrubec, J.; Husson, D.; Kagan, H.; Kania, D.; Kaplon, J.; Karl, C.; Kass, R.; Knöpfle, K. T.; Krammer, M.; Logiudice, A.; Lu, R.; Manfredi, P. F.; Manfredotti, C.; Marshall, R. D.; Meier, D.; Mishina, M.; Oh, A.; Pan, L. S.; Palmieri, V. G.; Pernicka, M.; Peitz, A.; Pirollo, S.; Polesello, P.; Pretzl, K.; Procario, M.; Re, V.; Riester, J. L.; Roe, S.; Roff, D.; Rudge, A.; Runolfsson, O.; Russ, J.; Schnetzer, S.; Sciortino, S.; Speziali, V.; Stelzer, H.; Stone, R.; Suter, B.; Tapper, R. J.; Tesarek, R.; Trawick, M.; Trischuk, W.; Vittone, E.; Walsh, A. M.; Wedenig, R.; Weilhammer, P.; White, C.; Ziock, H.; Zoeller, M.; RD42 Collaboration

1999-08-01

We present recent results on the use of Chemical Vapor Deposition (CVD) diamond microstrip detectors for charged particle tracking. A series of detectors was fabricated using 1 x 1 cm 2 diamonds. Good signal-to-noise ratios were observed using both slow and fast readout electronics. For slow readout electronics, 2 μs shaping time, the most probable signal-to-noise ratio was 50 to 1. For fast readout electronics, 25 ns peaking time, the most probable signal-to-noise ratio was 7 to 1. Using the first 2 x 4 cm 2 diamond from a production CVD reactor with slow readout electronics, the most probable signal-to-noise ratio was 23 to 1. The spatial resolution achieved for the detectors was consistent with the digital resolution expected from the detector pitch.

Self-injection of electrons in a laser-wakefield accelerator by using longitudinal density ripple

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

Dahiya, Deepak; Sharma, A. K.; Sajal, Vivek

By introducing a longitudinal density ripple (periodic modulation in background plasma density), we demonstrate self-injection of electrons in a laser-wakefield accelerator. The wakefield driven plasma wave, in presence of density ripple excites two side band waves of same frequency but different wave numbers. One of these side bands, having smaller phase velocity compared to wakefield driven plasma wave, preaccelerates the background plasma electrons. Significant number of these preaccelerated electrons get trapped in the laser-wakefield and further accelerated to higher energies.

Density functional theory and an experimentally-designed energy functional of electron density.

PubMed

Miranda, David A; Bueno, Paulo R

2016-09-21

We herein demonstrate that capacitance spectroscopy (CS) experimentally allows access to the energy associated with the quantum mechanical ground state of many-electron systems. Priorly, electrochemical capacitance, C [small mu, Greek, macron] [ρ], was previously understood from conceptual and computational density functional theory (DFT) calculations. Thus, we herein propose a quantum mechanical experiment-based variational method for electron charging processes based on an experimentally-designed functional of the ground state electron density. In this methodology, the electron state density, ρ, and an energy functional of the electron density, E [small mu, Greek, macron] [ρ], can be obtained from CS data. CS allows the derivative of the electrochemical potential with respect to the electron density, (δ[small mu, Greek, macron][ρ]/δρ), to be obtained as a unique functional of the energetically minimised system, i.e., β/C [small mu, Greek, macron] [ρ], where β is a constant (associated with the size of the system) and C [small mu, Greek, macron] [ρ] is an experimentally observable quantity. Thus the ground state energy (at a given fixed external potential) can be obtained simply as E [small mu, Greek, macron] [ρ], from the experimental measurement of C [small mu, Greek, macron] [ρ]. An experimental data-set was interpreted to demonstrate the potential of this quantum mechanical experiment-based variational principle.