Energy levels scheme simulation of divalent cobalt doped bismuth germanate
Andreici, Emiliana-Laura; Petkova, Petya; Avram, Nicolae M.
2015-12-07
The aim of this paper is to simulate the energy levels scheme for Bismuth Germanate (BGO) doped with divalent cobalt, in order to give a reliable explanation for spectral experimental data. In the semiempirical crystal field theory we first modeled the Crystal Field Parameters (CFPs) of BGO:Cr{sup 2+} system, in the frame of Exchange Charge Model (ECM), with actually site symmetry of the impurity ions after doping. The values of CFPs depend on the geometry of doped host matrix and by parameter G of ECM. First, we optimized the geometry of undoped BGO host matrix and afterwards, that of doped BGO with divalent cobalt. The charges effect of ligands and covalence bonding between cobalt cations and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of the CFPs we simulate the energy levels scheme of cobalt ions, by diagonalizing the matrix of the doped crystal Hamiltonian. Obviously, energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison of obtained results with experimental data shows quite satisfactory, which justify the model and simulation schemes used for the title system.
Optical Energy Levels Scheme for Co2+ doped in K(Mg,Zn)F3 Fluoroperovskites
NASA Astrophysics Data System (ADS)
Barb, A. M.; Gruia, A. S.; Avram, C. N.
2016-02-01
The aim of this paper is to model the crystal field parameters and simulate the fine structure of optical energy levels scheme of Co2+:K(Mg,Zn)F3 systems. The crystal field parameters were modeled in the frame of an Exchange Charge Model of the crystal field theory, taking into account the effects of the covalent bond formation between the Co2+ and F- ions. The obtained parameters were used for simulating the fine structure of the system energy levels scheme, by diagonalization of the full Hamiltonian matrix, in the base of 100 wave functions of Co2+ ion. For resolving some discrepancies, the electron-phonon interaction in 4T2g excited state is investigated in the frame of the Ham theory, with the Jahn-Teller stabilization energy calculation. The comparison of the calculated energy levels with experimental data gives a good agreement, which confirms the model and used method.
Crystal field parameters and energy levels scheme of trivalent chromium doped BSO
Petkova, P.; Andreici, E.-L.; Avram, N. M.
2014-11-24
The aim of this paper is to give an analysis of crystal field parameters and energy levels schemes for the above doped material, in order to give a reliable explanation for experimental data. The crystal field parameters have been modeled in the frame of Exchange Charge Model (ECM) of the crystal field theory, taken into account the geometry of systems, with actually site symmetry of the impurity ions. The effect of the charges of the ligands and covalence bonding between chromium cation and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of the crystal field parameters we simulated the scheme of energy levels of chromium ions by diagonalizing the matrix of the Hamiltonian of the doped crystal. The obtained energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison with experiment shows that the results are quite satisfactory which justify the model and simulation scheme used for the title system.
Crystal field parameters and energy levels scheme of trivalent chromium doped BSO
NASA Astrophysics Data System (ADS)
Petkova, P.; Andreici, E.-L.; Avram, N. M.
2014-11-01
The aim of this paper is to give an analysis of crystal field parameters and energy levels schemes for the above doped material, in order to give a reliable explanation for experimental data. The crystal field parameters have been modeled in the frame of Exchange Charge Model (ECM) of the crystal field theory, taken into account the geometry of systems, with actually site symmetry of the impurity ions. The effect of the charges of the ligands and covalence bonding between chromium cation and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of the crystal field parameters we simulated the scheme of energy levels of chromium ions by diagonalizing the matrix of the Hamiltonian of the doped crystal. The obtained energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison with experiment shows that the results are quite satisfactory which justify the model and simulation scheme used for the title system.
Kjaergaard, Christian H; Rossmeisl, Jan; Nørskov, Jens K
2010-04-19
In this paper, we present a method to directly compare the energy levels of intermediates in enzymatic and inorganic oxygen reduction catalysts. We initially describe how the energy levels of a Pt(111) catalyst, operating at pH = 0, are obtained. By a simple procedure, we then convert the energy levels of cytochrome c oxidase (CcO) models obtained at physiological pH = 7 to the energy levels at pH = 0, which allows for comparison. Furthermore, we illustrate how different bias voltages will affect the free-energy landscapes of the catalysts. This allows us to determine the so-called theoretical overpotential of each system, which is shown to be significantly lower for the enzymatic catalysts compared to the inorganic Pt(111) catalyst. Finally, we construct theoretical polarization curves for the CcO models, in order to illustrate the effect of the low overpotentials on turnover rates per site. PMID:20380458
Energy Levels of Hydrogen and Deuterium
National Institute of Standards and Technology Data Gateway
SRD 142 Energy Levels of Hydrogen and Deuterium (Web, free access) This database provides theoretical values of energy levels of hydrogen and deuterium for principle quantum numbers n = 1 to 200 and all allowed orbital angular momenta l and total angular momenta j. The values are based on current knowledge of the revelant theoretical contributions including relativistic, quantum electrodynamic, recoil, and nuclear size effects.
Energy level modeling of lanthanide materials: review and uncertainty analysis.
Joos, Jonas J; Poelman, Dirk; Smet, Philippe F
2015-07-15
Energy level schemes are an essential tool for the description and interpretation of atomic spectra. During the last 40 years, several empirical methods and relationships were devised for constructing energy level schemes of lanthanide defects in wide band gap solids, culminating in the chemical shift model by Thiel and Dorenbos. This model allows us to calculate the electronic and optical properties of the considered materials. However, an unbiased assessment of the accuracy of the obtained values of the calculated parameters is still lacking to a large extent. In this paper, error margins for calculated electronic and optical properties are deduced. It is found that optical transitions can be predicted within an acceptable error margin, while the description of phenomena involving conduction band states is limited to qualitative interpretation due to the large error margins for physical observables such as thermal quenching temperature, corresponding to standard deviations in the range 0.3-0.5 eV for the relevant energy differences. As an example, the electronic structure of lanthanide doped calcium thiogallate (CaGa2S4) is determined, taking the experimental spectra of CaGa2S4:Ln(Q+) (Ln(Q+) = Ce(3+), Eu(2+), Tm(3+)) as input. Two different approaches to obtain the shape of the zig-zag curves connecting the 4f levels of the different lanthanides are explored and compared. PMID:26129935
Energy levels for F-16 (Fluorine-16)
NASA Astrophysics Data System (ADS)
Sukhoruchkin, S. I.; Soroko, Z. N.
This document is part of Subvolume C `Tables of Excitations of Proton- and Neutron-rich Unstable Nuclei' of Volume 19 `Nuclear States from Charged Particle Reactions' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms'. It provides energy levels for atomic nuclei of the isotope F-16 (fluorine, atomic number Z = 9, mass number A = 16).
Energy-level alignment at organic heterointerfaces
Oehzelt, Martin; Akaike, Kouki; Koch, Norbert; Heimel, Georg
2015-01-01
Today’s champion organic (opto-)electronic devices comprise an ever-increasing number of different organic-semiconductor layers. The functionality of these complex heterostructures largely derives from the relative alignment of the frontier molecular-orbital energies in each layer with respect to those in all others. Despite the technological relevance of the energy-level alignment at organic heterointerfaces, and despite continued scientific interest, a reliable model that can quantitatively predict the full range of phenomena observed at such interfaces is notably absent. We identify the limitations of previous attempts to formulate such a model and highlight inconsistencies in the interpretation of the experimental data they were based on. We then develop a theoretical framework, which we demonstrate to accurately reproduce experiment. Applying this theory, a comprehensive overview of all possible energy-level alignment scenarios that can be encountered at organic heterojunctions is finally given. These results will help focus future efforts on developing functional organic interfaces for superior device performance. PMID:26702447
Automated drawing system of quantum energy levels
NASA Astrophysics Data System (ADS)
Stampoultzis, M.; Sinatkas, J.; Tsakstara, V.; Kosmas, T. S.
2014-03-01
The purpose of this work is to derive an automated system that provides advantageous drawings of energy spectra for quantum systems (nuclei, atoms, molecules, etc.) required in various physical sciences. The automation involves the development of appropriate computational code and graphical imaging system based on raw data insertion, theoretical calculations and experimental or bibliographic data insertion. The system determines the appropriate scale to depict graphically with the best possible way in the available space. The presently developed code operates locally and the results are displayed on the screen and can be exported to a PostScript file. We note its main features to arrange and visualize in the available space the energy levels with their identity, taking care the existence in the final diagram the least auxiliary deviations. Future improvements can be the use of Java and the availability on the Internet. The work involves the automated plotting of energy levels in molecules, atoms, nuclei and other types of quantized energy spectra. The automation involves the development of an appropriate computational code and graphical imaging system.
Four energy levels device for skin punching
NASA Astrophysics Data System (ADS)
Savastru, D.; Ristici, Esofina; Mustata, Marina; Miclos, S.; Rusu, M. I.; Radu, C.; Savu, V.
2007-03-01
Generally, the beam distribution in the tissue in interaction with a pulsed laser is defined by optical properties (effective scattering and absorption coefficient). In 2900 nm range, the effective scattering coefficient is much smaller than the absorption coefficient. An Er:YAG skin puncher is presented. Thermal action of a laser beam can be described as one of three types: hyperthermia, coagulation and volatilization, depending on the degree and the duration of tissue heating. We are interested in the volatilization process that means a loss of material. The various constituents of the tissue disappear in smoke at above 100 0C in a relatively short time of around one tenth of a second. At the edges of the volatilization zone there is a region of coagulation necrosis. In presented case of an Er:YAG laser operating in a free generation mode, the mechanical effects can result from explosive vaporization. When the exposure time of the laser is lower than the characteristic time of the thermal diffusion in the tissue, it produces a thermal containment with an accumulation of heat without diffusion and an explosive vaporization of the target. The Er:YAG laser device has the pulse length of about 160 microseconds and four emitted energy levels. This device is used to punch the skin for blood sampling for different kinds of analysis. The front panel of the device has four keys to select the desired energy according to the skin type.
Energy levels in helium and neon atoms by an electron-impact method
NASA Astrophysics Data System (ADS)
Taylor, N.; Bartle, K. D.; Mills, D.; Beard, D. S.
1981-03-01
Electronic energy levels in noble gas atoms may be determined with a simple teaching apparatus incorporating a resonance potentials tube in which the electron beam intensity is held constant. The resulting spectra are little inferior to those obtained by more elaborate electron-impact methods and complement optical emission spectra. Singlet-triplet energy differences may be resolved, and the spectra of helium and neon may be used to illustrate the applicability of Russell-Saunders and other, ''intermediate,'' coupling schemes.
Energy levels and zero field splitting parameter for Fe{sup 2+} doped in ZnS
Ivaşcu, Simona
2013-11-13
The aim of present paper is to report the results on the modeling of the crystal field parameters of Fe{sup 2+} doped in host matrix ZnS, simulate the energy levels scheme and calculate the zero field splitting parameter D of such system. The crystal field parameters were modeled in the frame of the superposition model of crystal field and the simulation of the energy levels scheme and calculation of the zero field splitting parameters done by diagonalization the Hamiltonian of Fe{sup 2+}:ZnS system. The obtained results were disscused and compared with experimental data. Satisfactory agreement have been obtained.
Energy levels of a heavy ion moving in dense plasmas
Hu, Hongwei; Chen, Wencong; Zhao, Yongtao; Li, Fuli; Dong, Chenzhong
2013-12-15
In this paper, the potential of a slowly moving test particle moving in collisional dense plasmas is studied. It is composed of the Debye-shielding potential, wake potential, and collision term. The Ritz variational-perturbational method is developed for calculating relativistic binding energy levels of a heavy ion moving in dense plasmas. Binding energy levels of a heavy ion moving in plasmas are calculated. The results show that both non-relativistic energy levels and relativistic energy levels become more negative as the temperature becomes high. They also become more negative as the number density decreasing. Relativistic correction is important for calculating binding energy levels. Both relativistic energy levels and non-relativistic energy levels vary minutely as the speed of heavy ion varies.
Theoretical Study of Energy Levels and Transition Probabilities of Boron Atom
NASA Astrophysics Data System (ADS)
Tian Yi, Zhang; Neng Wu, Zheng
2009-08-01
Full Text PDF Though the electrons configuration for boron atom is simple and boron atom has long been of interest for many researchers, the theoretical studies for properties of BI are not systematic, there are only few results reported on energy levels of high excited states of boron, and transition measurements are generally restricted to transitions involving ground states and low excited states without considering fine structure effects, provided only multiplet results, values for transitions between high excited states are seldom performed. In this article, by using the scheme of the weakest bound electron potential model theory calculations for energy levels of five series are performed and with the same method we give the transition probabilities between excited states with considering fine structure effects. The comprehensive set of calculations attempted in this paper could be of some value to workers in the field because of the lack of published calculations for the BI systems. The perturbations coming from foreign perturbers are taken into account in studying the energy levels. Good agreement between our results and the accepted values taken from NIST has been obtained. We also reported some values of energy levels and transition probabilities not existing on the NIST data bases.
Theory of Energy Level Tuning in Quantum Dots by Surfactants
NASA Astrophysics Data System (ADS)
Zherebetskyy, Danylo; Wang, Lin-Wang; Materials Sciences Division, Lawrence Berkeley National Laboratory Team
2015-03-01
Besides quantum confinement that provides control of the quantum dot (QD) band gap, surface ligands allow control of the absolute energy levels. We theoretically investigate energy level tuning in PbS QD by surfactant exchange. We perform direct calculations of real-size QD with various surfactants within the frame of the density functional theory and explicitly analyze the influence of the surfactants on the electronic properties of the QD. This work provides a hint for predictable control of the absolute energy levels and their fine tuning within 3 eV range by modification of big and small surfactants that simultaneously passivate the QD surface.
Kramida, Alexander
2013-01-01
All available experimental measurements of the spectrum of the Ag+ ion are critically reviewed. Systematic shifts are removed from the measured wavelengths. The compiled list of critically evaluated wavelengths is used to derive a comprehensive list of energy levels with well-defined uncertainties. Eigenvector compositions and level designations are found in two alternate coupling schemes. Some of the older work is found to be incorrect. A revised value of the ionization energy, 173283(7) cm−1, equivalent to 21.4844(8) eV, is derived from the new energy levels. A set of critically evaluated transition probabilities is given. PMID:26401429
"Piekara's Chair": Mechanical Model for Atomic Energy Levels.
ERIC Educational Resources Information Center
Golab-Meyer, Zofia
1991-01-01
Uses the teaching method of models or analogies, specifically the model called "Piekara's chair," to show how teaching classical mechanics can familiarize students with the notion of energy levels in atomic physics. (MDH)
Housing Electrons: Relating Quantum Numbers, Energy Levels, and Electron Configurations.
ERIC Educational Resources Information Center
Garofalo, Anthony
1997-01-01
Presents an activity that combines the concepts of quantum numbers and probability locations, energy levels, and electron configurations in a concrete, hands-on way. Uses model houses constructed out of foam board and colored beads to represent electrons. (JRH)
Revised energy levels and hyperfine structure constants of Ta II
NASA Astrophysics Data System (ADS)
Windholz, Laurentius; Arcimowicz, Bronislaw; Uddin, Zaheer
2016-06-01
Using a wave number calibrated Fourier transform spectrum, we determined the energy levels of the first ion of tantalum with high accuracy. To get the correct center of gravity wave numbers of the observed spectral lines, the knowledge of the hyperfine constants of the involved levels was necessary. From the observed values we deduced the energy levels in a global fit. A comparison between our results and all available literature values is presented.
Calculation of Rydberg energy levels for the francium atom
NASA Astrophysics Data System (ADS)
Huang, Shi-Zhong; Chu, Jin-Min
2010-06-01
Based on the weakest bound electron potential model theory, the Rydberg energy levels and quantum defects of the np2Po1/2 (n = 7-50) and np2Po3/2 (n = 7-50) spectrum series for the francium atom are calculated. The calculated results are in excellent agreement with the 48 measured levels, and 40 energy levels for highly excited states are predicted.
Calibration of Electric Field Induced Energy Level Shifts in Argon
NASA Astrophysics Data System (ADS)
Hebner, Greg
1999-10-01
Argon is a commonly used gas in a number of discharges. As such it is an ideal candidate for spectroscopic based electric field measurements within the sheath and bulk discharge regions. Recently, measurements demonstrated the use of the Stark induced shifts of high lying energy levels in Argon to make spatially and temporally resolved electric field measurements [1]. However, that method relied on the cross calibration of known and calculable shifts in helium discharges to calibrate, in-situ, the energy level shifts in Argon. This poster shows the use of an atomic beam system to calibrate the electric field induced shift of high lying energy levels directly. In addition, data on very high lying argon levels, up to the 20 F manifold, were obtained. Comparison of our electric field induced energy level shift calibration curves with previous work will be shown. The possibility of using this system to calibrate energy level shifts in other gases of technological interest to the microelectronics and lighting industry will be discussed. [1]. J. B. Kim, K. Kawamura, Y. W. Choi, M. D. Bowden, K. Muraoka and V. Helbig, IEEE Transactions on Plasma Science, 26(5), 1556 (1998). This work was performed at Sandia National Laboratories and supported by the United States Department of Energy (DE-AC04-94AL85000).
NASA Astrophysics Data System (ADS)
Pavlyuchko, A. I.; Yurchenko, S. N.; Tennyson, Jonathan
2015-07-01
A procedure for calculation of rotational-vibrational states of medium-sized molecules is presented. It combines the advantages of variational calculations and perturbation theory. The vibrational problem is solved by diagonalising a Hamiltonian matrix, which is partitioned into two sub-blocks. The first, smaller sub-block includes matrix elements with the largest contribution to the energy levels targeted in the calculations. The second, larger sub-block comprises those basis states which have little effect on these energy levels. Numerical perturbation theory, implemented as a Jacobi rotation, is used to compute the contributions from the matrix elements of the second sub-block. Only the first sub-block needs to be stored in memory and diagonalised. Calculations of the vibrational-rotational energy levels also employ a partitioning of the Hamiltonian matrix into sub-blocks, each of which corresponds either to a single vibrational state or a set of resonating vibrational states, with all associated rotational levels. Physically, this partitioning is efficient when the Coriolis coupling between different vibrational states is small. Numerical perturbation theory is used to include the cross-contributions from different vibrational states. Separate individual sub-blocks are then diagonalised, replacing the diagonalisation of a large Hamiltonian matrix with a number of small matrix diagonalisations. Numerical examples show that the proposed hybrid variational-perturbation method greatly speeds up the variational procedure without significant loss of precision for both vibrational-rotational energy levels and transition intensities. The hybrid scheme can be used for accurate nuclear motion calculations on molecules with up to 15 atoms on currently available computers.
Electronic energy levels of intermediates in the laboratory
NASA Astrophysics Data System (ADS)
Howard, I. A.; Horlick, G.
1980-12-01
Using the multiple scattering X-alpha method, electronic energy levels have been found self-consistently for the intermediates Ni(CO)(n), n = 1,2,3 in the formation of nickel tetracarbonyl via the Ni-CO surface reaction. Linear geometries have been assumed for NiCO and Ni(CO)2, and a trigonal planar conformation for Ni(CO)3, in accordance with previously published IR spectra. The intermediates were assumed to be in the gas phase, free of surface interaction. From the energy level structure found, all three of the intermediates were determined to be diamagnetic, as Ni(CO)4 is known to be.
Electronic energy levels of intermediates in the nickel carbonylation reaction
NASA Astrophysics Data System (ADS)
Howard, I. A.; Pratt, G. W.; Johnson, K. H.; Dresselhaus, G.
1981-03-01
Using the multiple scattering Xa method, electronic energy levels have been found self-consistently for the intermediates Ni(CO)n, n = 1,2,3 in the formation of nickel tetracarbonyl via the Ni-CO surface reaction. Linear geometries have been assumed for NiCO and Ni(CO)2, and a trigonal planar conformation for Ni(CO)3, in accordance with previously published IR spectra. The intermediates were assumed to be in the gas phase, free of surface interaction. From the energy level structure found, all three of the intermediates were determined to be diamagnetic, as Ni(CO)4 is known to be.
Temperature dependent energy levels of methylammonium lead iodide perovskite
Foley, Benjamin J.; Marlowe, Daniel L.; Choi, Joshua J. E-mail: mgupta@virginia.edu; Sun, Keye; Gupta, Mool C. E-mail: mgupta@virginia.edu; Saidi, Wissam A.; Scudiero, Louis E-mail: mgupta@virginia.edu
2015-06-15
Temperature dependent energy levels of methylammonium lead iodide are investigated using a combination of ultraviolet photoemission spectroscopy and optical spectroscopy. Our results show that the valence band maximum and conduction band minimum shift down in energy by 110 meV and 77 meV as temperature increases from 28 °C to 85 °C. Density functional theory calculations using slab structures show that the decreased orbital splitting due to thermal expansion is a major contribution to the experimentally observed shift in energy levels. Our results have implications for solar cell performance under operating conditions with continued sunlight exposure and increased temperature.
NASA Astrophysics Data System (ADS)
Song, Zhen; Liu, Xiaolang; He, Lizhu; Liu, Q. L.
2016-05-01
Luminescent spectra of cerium-doped yttrium aluminum garnet are measured at varying temperatures. It is found that the two excitation peaks demonstrate a reverse trend as the temperature rises, and the breadth of the high-energy emission peak experiences an abrupt widening. These effects could be directly linked to the energy level scheme of Ce3+ under the crystal field of local symmetry. Moreover, an alternative fitting function is provided which could effectively resolve the emission curve.
Degeneracy of energy levels of pseudo-Gaussian oscillators
Iacob, Theodor-Felix; Iacob, Felix; Lute, Marina
2015-12-07
We study the main features of the isotropic radial pseudo-Gaussian oscillators spectral properties. This study is made upon the energy levels degeneracy with respect to orbital angular momentum quantum number. In a previous work [6] we have shown that the pseudo-Gaussian oscillators belong to the class of quasi-exactly solvable models and an exact solution has been found.
Efficiencies of thermodynamics when temperature-dependent energy levels exist.
Yamano, Takuya
2016-03-14
Based on a generalized form of the second law of thermodynamics, in which the temperature-dependent energy levels of a system are appropriately included in entropy generation, we show that the effect reasonably appears in efficiencies of thermodynamic processes. PMID:26890276
Energy levels of hybrid monolayer-bilayer graphene quantum dots
NASA Astrophysics Data System (ADS)
Mirzakhani, M.; Zarenia, M.; Ketabi, S. A.; da Costa, D. R.; Peeters, F. M.
2016-04-01
Often real samples of graphene consist of islands of both monolayer and bilayer graphene. Bound states in such hybrid quantum dots are investigated for (i) a circular single-layer graphene quantum dot surrounded by an infinite bilayer graphene sheet and (ii) a circular bilayer graphene quantum dot surrounded by an infinite single-layer graphene. Using the continuum model and applying zigzag boundary conditions at the single-layer-bilayer graphene interface, we obtain analytical results for the energy levels and the corresponding wave spinors. Their dependence on perpendicular magnetic and electric fields are studied for both types of quantum dots. The energy levels exhibit characteristics of interface states, and we find anticrossings and closing of the energy gap in the presence of a bias potential.
Energy level transitions of gas in a 2D nanopore
Grinyaev, Yurii V.; Chertova, Nadezhda V.; Psakhie, Sergei G.
2015-10-27
An analytical study of gas behavior in a 2D nanopore was performed. It is shown that the temperature dependence of gas energy can be stepwise due to transitions from one size-quantized subband to another. Taking into account quantum size effects results in energy level transitions governed by the nanopore size, temperature and gas density. This effect leads to an abrupt change of gas heat capacity in the nanopore at the above varying system parameters.
Energy levels, lifetimes and radiative data of Ba XXVI
NASA Astrophysics Data System (ADS)
Singh, A. K.; Goyal, Arun; Khatri, Indu; Aggarwal, Sunny; Sharma, Rinku; Mohan, Man
2016-05-01
We report an extensive and an elaborate theoretical study of atomic data for Ba XXVI by considering Singlet, Doublet and Triplet (SDT) electron excitations within N-shell and single excitations from N-shell to O-shell. We have calculated energy levels and lifetimes for lowest 110 fine structure levels by using Multi-configuration Dirac-Fock method (MCDF). We have also considered Quantum Electrodynamics (QED) and Breit corrections in our calculations. We have presented the radiative data for electric and magnetic dipole (E1, M1) and quadrupole (E2, M2) transitions among lowest 110 levels. We have made comparisons of our calculated excitation energies and EUV (Extreme Ultraviolet) transition wavelengths with experimentally observed energy levels and wavelengths and achieved good agreement. We have also computed energy levels by performing similar relativistic distorted wave calculations using Flexible Atomic Code (FAC). Additionally, we have provided new atomic data for Ba XXVI which are not published elsewhere in the literature. We believe that our results may be beneficial in fusion plasma research and astrophysical investigations and applications.
S-matrix calculations of energy levels of alkalilike ions
NASA Astrophysics Data System (ADS)
Sapirstein, Jonathan; Cheng, K. T.
2013-05-01
A recent S-matrix based QED calculation of energy levels of the lithium isoelectronic sequence is extended to the general case of a valence electron outside an arbitrary filled core. Formulas are presented that allow calculation of the energy levels of valence ns , np1 / 2 , np3 / 2 , nd3 / 2 , and nd5 / 2 states. Emphasis is placed on modifications of the lithiumlike formulas required because more than one core state is present, and a discussion of an unusual feature of the two-photon exchange contribution involving autoiononizing states is given. The method is illustrated with a calculation of energy levels of the sodium isoelectronic sequence, with results for 3s1 / 2 , 3p1 / 2 , and 3p3 / 2 energies tabulated for the range Z = 20 - 100 . A detailed breakdown of the calculation is given for Z = 74 . Comparison with experiment and other calculations is given, and prospects for extension of the method to ions with more complex electronic structure discussed. The work of JS was supported in part by NSF Grant No. PHY-1068065. The work of KTC was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.
Li, Huashan; Lin, Zhibin; Lusk, Mark T. Wu, Zhigang
2014-10-21
The universal and fundamental criteria for charge separation at interfaces involving nanoscale materials are investigated. In addition to the single-quasiparticle excitation, all the two-quasiparticle effects including exciton binding, Coulomb stabilization, and exciton transfer are considered, which play critical roles on nanoscale interfaces for optoelectronic applications. We propose a scheme allowing adding these two-quasiparticle interactions on top of the single-quasiparticle energy level alignment for determining and illuminating charge separation at nanoscale interfaces. Employing the many-body perturbation theory based on Green's functions, we quantitatively demonstrate that neglecting or simplifying these crucial two-quasiparticle interactions using less accurate methods is likely to predict qualitatively incorrect charge separation behaviors at nanoscale interfaces where quantum confinement dominates.
Yang, Benhui; Chen, Wenwu; Poirier, Bill
2011-09-01
Exact quantum dynamics calculations of the eigenstate energy levels and wavefunctions for all bound rovibrational states of the Ne(3) trimer (J = 0-18) have been performed using the ScalIT suite of parallel codes. These codes employ a combination of highly efficient methods, including phase-space optimized discrete variable representation, optimal separable basis, and preconditioned inexact spectral transform methods, together with an effective massive parallelization scheme. The Ne(3) energy levels and wavefunctions were computed using a pair-wise Lennard-Jones potential. Jacobi coordinates were used for the calculations, but to identify just those states belonging to the totally symmetric irreducible representation of the G(12) complete nuclear permutation-inversion group, wavefunctions were plotted in hyperspherical coordinates. "Horseshoe" states were observed above the isomerization barrier, but the horseshoe localization effect is weaker than in Ar(3). The rigid rotor model is found to be applicable for only the ground and first excited vibrational states at low J; fitted rotational constant values are presented. PMID:21913762
NASA Astrophysics Data System (ADS)
Abou El-Maaref, A.; Ahmad, Mahmoud; Allam, S. H.
2014-05-01
Energy levels, oscillator strengths, and transition probabilities for transitions among the 14 LS states belonging to configurations of sulfur-like iron, Fe XI, have been calculated. These states are represented by configuration interaction wavefunctions and have configurations 3s23p4, 3s3p5, 3s23p33d, 3s23p34s, 3s23p34p, and 3s23p34d, which give rise to 123 fine-structure energy levels. Extensive configuration interaction calculations using the CIV3 code have been performed. To assess the importance of relativistic effects, the intermediate coupling scheme by means of the Breit-Pauli Hamiltonian terms, such as the one-body mass correction and Darwin term, and spin-orbit, spin-other-orbit, and spin-spin corrections, are incorporated within the code. These incorporations adjusted the energy levels, therefore the calculated values are close to the available experimental data. Comparisons between the present calculated energy levels as well as oscillator strengths and both experimental and theoretical data have been performed. Our results show good agreement with earlier works, and they might be useful in thermonuclear fusion research and astrophysical applications.
New Fe ii energy levels from stellar spectra
NASA Astrophysics Data System (ADS)
Castelli, F.; Kurucz, R. L.
2010-09-01
Aims: The spectra of B-type and early A-type stars show numerous unidentified lines in the whole optical range, especially in the 5100-5400 Å interval. Because Fe ii transitions to high energy levels should be observed in this region, we used semiempirical predicted wavelengths and gf-values of Fe ii to identify unknown lines. Methods: Semiempirical line data for Fe ii computed by Kurucz are used to synthesize the spectrum of the slow-rotating, Fe-overabundant CP star HR 6000. Results: We determined a total of 109 new 4f levels for Fe ii with energies ranging from 122 324 cm-1 to 128 110 cm-1. They belong to the Fe ii subconfigurations 3d6(3P)4f (10 levels), 3d6(3H)4f (36 levels), 3d6(3F)4f (37 levels), and 3d6(3G)4f (26 levels). We also found 14 even levels from 4d (3 levels), 5d (7 levels), and 6d (4 levels) configurations. The new levels have allowed us to identify more than 50% of the previously unidentified lines of HR 6000 in the wavelength region 3800-8000 Å. Tables listing the new energy levels are given in the paper; tables listing the spectral lines with log gf ≥ -1.5 that are transitions to the 4f energy levels are given in the Online Material. These new levels produce 18 000 lines throughout the spectrum from the ultraviolet to the infrared. Tables 6-9 are also available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/520/A57
Energy levels of double triangular graphene quantum dots
Liang, F. X.; Jiang, Z. T. Zhang, H. Y.; Li, S.; Lv, Z. T.
2014-09-28
We investigate theoretically the energy levels of the coupled double triangular graphene quantum dots (GQDs) based on the tight-binding Hamiltonian model. The double GQDs including the ZZ-type, ZA-type, and AA-type GQDs with the two GQDs having the zigzag or armchair boundaries can be coupled together via different interdot connections, such as the direct coupling, the chains of benzene rings, and those of carbon atoms. It is shown that the energy spectrum of the coupled double GQDs is the amalgamation of those spectra of the corresponding two isolated GQDs with the modification triggered by the interdot connections. The interdot connection is inclined to lift up the degeneracies of the energy levels in different degree, and as the connection changes from the direct coupling to the long chains, the removal of energy degeneracies is suppressed in ZZ-type and AA-type double GQDs, which indicates that the two coupled GQDs are inclined to become decoupled. Then we consider the influences on the spectra of the coupled double GQDs induced by the electric fields applied on the GQDs or the connection, which manifests as the global spectrum redistribution or the local energy level shift. Finally, we study the symmetrical and asymmetrical energy spectra of the double GQDs caused by the substrates supporting the two GQDs, clearly demonstrating how the substrates affect the double GQDs' spectrum. This research elucidates the energy spectra of the coupled double GQDs, as well as the mechanics of manipulating them by the electric field and the substrates, which would be a significant reference for designing GQD-based devices.
Energy level alignment in Au/pentacene/PTCDA trilayer stacks
NASA Astrophysics Data System (ADS)
Sehati, P.; Braun, S.; Fahlman, M.
2013-09-01
Ultraviolet photoelectron spectroscopy is used to investigate the energy level alignment and molecular orientation at the interfaces in Au/pentacene/PTCDA trilayer stacks. We deduced a standing orientation for pentacene grown on Au while we conclude a flat lying geometry for PTCDA grown onto pentacene. We propose that the rough surface of polycrystalline Au induces the standing geometry in pentacene. It is further shown that in situ deposition of PTCDA on pentacene can influence the orientation of the surface pentacene layer, flipping part of the surface pentacene molecules into a flat lying geometry, maximizing the orbital interaction across the pentacene-PTCDA heterojunction.
Accurate energy levels for singly ionized platinum (Pt II)
NASA Technical Reports Server (NTRS)
Reader, Joseph; Acquista, Nicolo; Sansonetti, Craig J.; Engleman, Rolf, Jr.
1988-01-01
New observations of the spectrum of Pt II have been made with hollow-cathode lamps. The region from 1032 to 4101 A was observed photographically with a 10.7-m normal-incidence spectrograph. The region from 2245 to 5223 A was observed with a Fourier-transform spectrometer. Wavelength measurements were made for 558 lines. The uncertainties vary from 0.0005 to 0.004 A. From these measurements and three parity-forbidden transitions in the infrared, accurate values were determined for 28 even and 72 odd energy levels of Pt II.
Energy level control: toward an efficient hot electron transport
Jin, Xiao; Li, Qinghua; Li, Yue; Chen, Zihan; Wei, Tai-Huei; He, Xingdao; Sun, Weifu
2014-01-01
Highly efficient hot electron transport represents one of the most important properties required for applications in photovoltaic devices. Whereas the fabrication of efficient hot electron capture and lost-cost devices remains a technological challenge, regulating the energy level of acceptor-donor system through the incorporation of foreign ions using the solution-processed technique is one of the most promising strategies to overcome this obstacle. Here we present a versatile acceptor-donor system by incorporating MoO3:Eu nanophosphors, which reduces both the ‘excess' energy offset between the conduction band of acceptor and the lowest unoccupied molecular orbital of donor, and that between the valence band and highest occupied molecular orbital. Strikingly, the hot electron transfer time has been shortened. This work demonstrates that suitable energy level alignment can be tuned to gain the higher hot electron/hole transport efficiency in a simple approach without the need for complicated architectures. This work builds up the foundation of engineering building blocks for third-generation solar cells. PMID:25099864
Abou El-Maaref, A.; Ahmad, Mahmoud; Allam, S.H.
2014-05-15
Energy levels, oscillator strengths, and transition probabilities for transitions among the 14 LS states belonging to configurations of sulfur-like iron, Fe XI, have been calculated. These states are represented by configuration interaction wavefunctions and have configurations 3s{sup 2}3p{sup 4}, 3s3p{sup 5}, 3s{sup 2}3p{sup 3}3d, 3s{sup 2}3p{sup 3}4s, 3s{sup 2}3p{sup 3}4p, and 3s{sup 2}3p{sup 3}4d, which give rise to 123 fine-structure energy levels. Extensive configuration interaction calculations using the CIV3 code have been performed. To assess the importance of relativistic effects, the intermediate coupling scheme by means of the Breit–Pauli Hamiltonian terms, such as the one-body mass correction and Darwin term, and spin–orbit, spin–other-orbit, and spin–spin corrections, are incorporated within the code. These incorporations adjusted the energy levels, therefore the calculated values are close to the available experimental data. Comparisons between the present calculated energy levels as well as oscillator strengths and both experimental and theoretical data have been performed. Our results show good agreement with earlier works, and they might be useful in thermonuclear fusion research and astrophysical applications. -- Highlights: •Accurate atomic data of iron ions are needed for identification of solar corona. •Extensive configuration interaction wavefunctions including 123 fine-structure levels have been calculated. •The relativistic effects by means of the Breit–Pauli Hamiltonian terms are incorporated. •This incorporation adjusts the energy levels, therefore the calculated values are close to experimental values.
The Alternative Scheme to Describe Nuclei with X(5) Symmetry
NASA Astrophysics Data System (ADS)
Dai, L. R.; Pan, F.; Liu, R. L.; Yu, H.; Zhang, W. L.
The possible nuclei with X(5) symmetry are investigated in the Interacting Boson Model (IBM), in which the traditional scheme and a new alternative scheme from the spherical to the axially deformed limit of the IBM with a schematic Hamiltonian are studied by using the SU(3) quadrupole-quadrupole term and O(6) cubic interaction, respectively. The low-lying energy levels and E2 transition rates from the new scheme are calculated and compared with the experimental data and those of the traditional U(5) - SU(3) description. It is shown that the results from this new scheme seem better than those of the traditional description.
Energy levels and radiative transition rates for Ba XLVIII
NASA Astrophysics Data System (ADS)
Khatri, Indu; Goyal, Arun; Aggarwal, Sunny; Singh, A. K.; Mohan, Man
2016-01-01
Energy levels and radiative rates are reported for transitions in F-like Ba XLVIII. Configuration interaction has been included among 27 configurations (generating 431 levels) over a wide energy range up to 618 Rydbergs, and the fully relativistic multi-configurational Dirac-Fock method adopted for the calculations. To assess the accuracy, calculations have also been performed with the flexible atomic code, FAC. Radiative rates, oscillator strengths and line strengths are reported for all electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions from the lowest 3 levels, although calculations have been performed for a much larger number of levels. We have made comparisons of our results with existing available results and a good agreement has been achieved. Additionally, lifetimes for all 431 levels are listed.
Electron Energy Levels in the 1D-2D Transition
NASA Astrophysics Data System (ADS)
Pepper, Michael; Sanjeev, Kumar; Thomas, Kalarikad; Creeth, Graham; English, David; Ritchie, David; Griffiths, Jonathan; Farrer, Ian; Jones, Geraint
Using GaAs-AlGaAs heterostructures we have investigated the behaviour of electron energy levels with relaxation of the potential confining a 2D electron gas into a 1D configuration. In the ballistic regime of transport, when the conductance shows quantized plateaux, different types of behaviour are found according to the spins of interacting levels, whether a magnetic field is applied and lifting of the momentum degeneracy with a source-drain voltage. We have observed both crossing and anti-crossing of levels and have investigated the manner in which they can be mutually converted. In the presence of a magnetic field levels can cross and lock together as the confinement is altered in a way which is characteristic of parallel channels. The overall behaviour is discussed in terms of electron interactions and the wavefunction flexibility allowed by the increasing two dimensionality of the electron distribution as the confinement is weakened. Work supported by UK EPSRC.
Energy level offset analysis of lead atom in laser plasma
NASA Astrophysics Data System (ADS)
Zhou, X. M.; Chen, C. S.; Man, B. Y.; Guo, J.; Wang, J.
2009-08-01
The optical emission spectra of the plasma generated by a 1064 nm laser irradiation of lead target in air were recorded and analyzed. Temporal evolvement trait of spectral lines was investigated. The Stark width and line shift were measured at different delay time and laser energies. The electron densities were determined using Stark-broadening parameters of spectral lines. The atomic energy level offset in plasma surroundings was explored by analyzing the line shift. The experimental data of Stark widths and line shifts were analyzed using the regularity of the Stark parameters’ dependence on effective ionization potential. However an inverse experimental result was found compared with the theoretical calculation. In addition, the change of the Stark widths and line shifts with the delay time and laser energies was discussed.
Abou El-Maaref, A.; Allam, S.H.; El-Sherbini, Th.M.
2014-01-15
The energy levels, oscillator strengths, line strengths, and transition probabilities for transitions among the terms belonging to the 3s{sup 2}3p{sup 2}, 3s3p{sup 3}, 3s{sup 2}3p3d, 3s{sup 2}3p4s, 3s{sup 2}3p4p and 3s{sup 2}3p4d configurations of silicon-like ions (Zn XVII, Ga XVIII, Ge XIX, and As XX) have been calculated using the configuration-interaction code CIV3. The calculations have been carried out in the intermediate coupling scheme using the Breit–Pauli Hamiltonian. The present calculations have been compared with the available experimental data and other theoretical calculations. Most of our calculations of energy levels and oscillator strengths (in length form) show good agreement with both experimental and theoretical data. Lifetimes of the excited levels have also been calculated. -- Highlights: •We have calculated the fine-structure energy levels of Si-like Zn, Ga, Ge and As. •The calculations are performed using the configuration interaction method (CIV3). •We have calculated the oscillator strengths, line strengths and transition rates. •The wavelengths of the transitions are listed in this article. •We also have made comparisons between our data and other calculations.
Energy levels and transition probability matrix elements of ruby for maser applications
NASA Technical Reports Server (NTRS)
Berwin, R. W.
1971-01-01
Program computes fine structure energy levels of ruby as a function of magnetic field. Included in program is matrix formulation, each row of which contains a magnetic field and four corresponding energy levels.
Interaction Determined Electron Energy Levels in One-Dimension
NASA Astrophysics Data System (ADS)
Pepper, Michael; Kumar, Sanjeev; Thomas, Kalarikad; Smith, Luke; Creeth, Graham; Farrer, Ian; Ritchie, David; Jones, Geraint; Jonathan, Griffiths; UCL Collaboration; Cavendish Laboratory Collaboration
2015-03-01
We have investigated electron transport in a quasi-one dimensional electron gas in the GaAs-AlGaAs heterostructure designed so that the confinement potential can be progressively weakened. This causes the energy levels to decrease in energy relative to each other, however this decrease occurs at different rates, a feature attributed to the energy being determined by both confinement and the electron-electron repulsion which varies with the shape of the wavefunction. It is found that the initial ground state crosses the higher levels so resulting in missing plateaux of quantised conductance. A change in the nature of the ground state to a more extended form causes an increase in the capacitance between the confining gates and the electrons. Both crossings and anti-crossings of the levels are found and these will be discussed along with other consequences of the form of the level interactions. The effects of level crossing on the spin dependent 0.7 structure will be presented. Supported by EPSRC (UK).
Energy levels and the de Broglie relationship for high school students
NASA Astrophysics Data System (ADS)
Gianino, Concetto
2008-07-01
In this article, four examples of possible lessons on energy levels for high school are described: a particle in a box, a finite square well, the hydrogen atom and a harmonic oscillator. The energy levels are deduced through the use of the steady-state condition and the de Broglie relationship. In particular, the harmonic oscillator energy levels are deduced using correspondence with circular uniform motion.
Carter, S; Handy, N C
2004-07-01
Recently, Carter and Handy [J. Chem. Phys. 113 (2000) 987] have introduced the theory of the reaction path Hamiltonian (RPH) [J. Chem. Phys. 72 (1980) 99] into the variational scheme MULTIMODE, for the calculation of the J=0 vibrational levels of polyatomic molecules, which have a single large-amplitude motion. In this theory the reaction path coordinate s becomes the fourth dimension of the moment-of-inertia tensor, and must be treated separately from the remaining 3N-7 normal coordinates in the MULTIMODE program. In the modified program, complete integration is performed over s, and the M-mode MULTIMODE coupling approximation for the evaluation of the matrix elements applies only to the 3N-7 normal coordinates. In this paper the new algorithm is extended to the calculation of rotational-vibration energy levels (i.e. J>0) with the RPH, following from our analogous implementation for rigid molecules [Theoret. Chem. Acc. 100 (1998) 191]. The full theory is given, and all extra terms have been included to give the exact kinetic energy operator. In order to validate the new code, we report studies on hydrogen peroxide (H2O2), where the reaction path is equivalent to torsional motion. H2O2 has previously been studied variationally using a valence coordinate Hamiltonian; complete agreement for calculated rovibrational levels is obtained between the previous results and those from the new code, using the identical potential surface. MULTIMODE is now able to calculate rovibrational levels for polyatomic molecules which have one large-amplitude motion. PMID:15248993
Energy Levels and the de Broglie Relationship for High School Students
ERIC Educational Resources Information Center
Gianino, Concetto
2008-01-01
In this article, four examples of possible lessons on energy levels for high school are described: a particle in a box, a finite square well, the hydrogen atom and a harmonic oscillator. The energy levels are deduced through the use of the steady-state condition and the de Broglie relationship. In particular, the harmonic oscillator energy levels…
Energy levels and spectral lines of tungsten, W III through W LXXIV
NASA Astrophysics Data System (ADS)
Kramida, A. E.; Shirai, T.
2009-05-01
The energy levels and spectral lines of multiply ionized tungsten atoms, W 2+ through W 73+, have been compiled. Experimental data on spectral lines and energy levels exist for the spectra of W III through W VII, W XXVIII through W LI, W LIII, and W LV through LXV. For W VIII, the four lowest energy levels were derived from the series limits of W VII. For W LXIV (Na-like) and W LVI (K-like), we supplement experimental data on energy levels and wavelengths with predicted values found by accurate interpolations and extrapolations along the isoelectronic sequences. For W LXXIII (He-like) and W LXXIV (H-like), theoretical data on energy levels and line wavelengths are compiled. For W III, we include experimentally determined radiative transition probabilities where available. The ground state configurations and terms were determined for all stages of ionization. A value of ionization energy is included for each ion.
NASA Technical Reports Server (NTRS)
Liechty, Derek S.; Lewis, Mark
2010-01-01
A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.
Rotation vibration energy level clustering in the XB1 ground electronic state of PH2
NASA Astrophysics Data System (ADS)
Yurchenko, S. N.; Thiel, W.; Jensen, Per; Bunker, P. R.
2006-10-01
We use previously determined potential energy surfaces for the Renner-coupled XB1 and AA1 electronic states of the phosphino (PH 2) free radical in a calculation of the energies and wavefunctions of highly excited rotational and vibrational energy levels of the X˜ state. We show how spin-orbit coupling, the Renner effect, rotational excitation, and vibrational excitation affect the clustered energy level patterns that occur. We consider both 4-fold rotational energy level clustering caused by centrifugal distortion, and vibrational energy level pairing caused by local mode behaviour. We also calculate ab initio dipole moment surfaces for the X˜ and A˜ states, and the X˜-A˜ transition moment surface, in order to obtain spectral intensities.
A Simple Approach for the Calculation of Energy Levels of Light Atoms
ERIC Educational Resources Information Center
Woodyard, Jack R., Sr.
1972-01-01
Describes a method for direct calculation of energy levels by using elementary techniques. Describes the limitations of the approach but also claims that with a minimum amount of labor a student can get greater understanding of atomic physics problems. (PS)
ENERGY LEVELS AND SPECTRAL LINES OF SINGLY IONIZED MANGANESE (Mn II)
Kramida, Alexander; Sansonetti, Jean E.
2013-04-01
This compilation revises the previously recommended list of energy levels of singly ionized manganese (Mn II) and provides a comprehensive list of observed spectral lines and transition probabilities in this spectrum. The new level optimization takes into account critically assessed uncertainties of measured wavelengths and includes about a hundred high-precision wavelengths determined by laser spectroscopy and Fourier transform techniques. Uncertainties of 63% of energy levels and 74% of Ritz wavelengths are reduced by a factor of three on average.
Willcock, J J; Lumsdaine, A; Quinlan, D J
2008-08-19
Tabled execution is a generalization of memorization developed by the logic programming community. It not only saves results from tabled predicates, but also stores the set of currently active calls to them; tabled execution can thus provide meaningful semantics for programs that seemingly contain infinite recursions with the same arguments. In logic programming, tabled execution is used for many purposes, both for improving the efficiency of programs, and making tasks simpler and more direct to express than with normal logic programs. However, tabled execution is only infrequently applied in mainstream functional languages such as Scheme. We demonstrate an elegant implementation of tabled execution in Scheme, using a mix of continuation-passing style and mutable data. We also show the use of tabled execution in Scheme for a problem in formal language and automata theory, demonstrating that tabled execution can be a valuable tool for Scheme users.
Indirect visual cryptography scheme
NASA Astrophysics Data System (ADS)
Yang, Xiubo; Li, Tuo; Shi, Yishi
2015-10-01
Visual cryptography (VC), a new cryptographic scheme for image. Here in encryption, image with message is encoded to be N sub-images and any K sub-images can decode the message in a special rules (N>=2, 2<=K<=N). Then any K of the N sub-images are printed on transparency and stacked exactly, the message of original image will be decrypted by human visual system, but any K-1 of them get no information about it. This cryptographic scheme can decode concealed images without any cryptographic computations, and it has high security. But this scheme lacks of hidden because of obvious feature of sub-images. In this paper, we introduce indirect visual cryptography scheme (IVCS), which encodes sub-images to be pure phase images without visible strength based on encoding of visual cryptography. The pure phase image is final ciphertexts. Indirect visual cryptography scheme not only inherits the merits of visual cryptography, but also raises indirection, hidden and security. Meanwhile, the accuracy alignment is not required any more, which leads to the strong anti-interference capacity and robust in this scheme. System of decryption can be integrated highly and operated conveniently, and its process of decryption is dynamic and fast, which all lead to the good potentials in practices.
Effect of temperature-dependent energy-level shifts on a semiconductor's Peltier heat
Emin, D.
1984-11-15
The Peltier heat of a charge carrier in a semiconductor is calculated for the situation in which the electronic energy levels are temperature dependent. The temperature dependences of the electronic energy levels, generally observed optically, arise from their dependences on the vibrational energy of the lattice (e.g., as caused by thermal expansion). It has been suggested that these temperature dependences will typically have a major effect on the Peltier heat. The Peltier heat associated with a given energy level is a thermodynamic quantity; it is the product of the temperature and the change of the entropy of the system when a carrier is added in that level. As such, the energy levels cannot be treated as explicitly temperature dependent. The electron-lattice interaction causing the temperature dependence must be expressly considered. It is found that the carrier's interaction with the atomic vibrations lowers its electronic energy. However, the interaction of the carrier with the atomic vibrations also causes an infinitesimal lowering (approx.1/N) of each of the N vibrational frequencies. As a result, there is a finite carrier-induced increase in the average vibrational energy. Above the Debye temperature, this cancels the lowering of the carrier's electronic energy. Thus, the standard Peltier-heat formula, whose derivation generally ignores the temperature dependence of the electronic energy levels, is regained. This explains the apparent success of the standard formula in numerous analyses of electronic transport experiments.
Zhang, Zhi-Jun; Feng, Ang; Chen, Xiang-Yang; Zhao, Jing-Tai
2013-12-07
RE{sup 3+} (RE = Pr, Sm, Er, Tm)-activated CaZnOS samples were prepared by a solid-state reaction method at high temperature, and their photoluminescence properties were investigated. Doping with RE{sup 3+} (RE = Pr, Sm, Er, Tm) into layered-CaZnOS resulted in typical RE{sup 3+} (RE = Pr, Sm, Er, Tm) f-f line absorptions and emissions, as well as the charge transfer band of Sm{sup 3+} at about 3.3 eV. The energy level scheme containing the position of the 4f and 5d levels of all divalent and trivalent lanthanide ions with respect to the valence and conduction bands of CaZnOS has been constructed based on the new data presented in this work, together with the data from literature on Ce{sup 3+} and Eu{sup 2+} doping in CaZnOS. The detailed energy level scheme provides a platform for interpreting the optical spectra and could be used to comment on the valence stability of the lanthanide ions in CaZnOS.
Doping Scheme of Semiconducting Atomic Chains
NASA Technical Reports Server (NTRS)
Toshishige, Yamada; Saini, Subhash (Technical Monitor)
1998-01-01
Atomic chains, precise structures of atomic scale created on an atomically regulated substrate surface, are candidates for future electronics. A doping scheme for intrinsic semiconducting Mg chains is considered. In order to suppress the unwanted Anderson localization and minimize the deformation of the original band shape, atomic modulation doping is considered, which is to place dopant atoms beside the chain periodically. Group I atoms are donors, and group VI or VII atoms are acceptors. As long as the lattice constant is long so that the s-p band crossing has not occurred, whether dopant atoms behave as donors or acceptors is closely related to the energy level alignment of isolated atomic levels. Band structures are calculated for Br-doped (p-type) and Cs-doped (n-type) Mg chains using the tight-binding theory with universal parameters, and it is shown that the band deformation is minimized and only the Fermi energy position is modified.
Placidi, M.; Jung, J. -Y.; Ratti, A.; Sun, C.
2014-07-25
This paper describes beam distribution schemes adopting a novel implementation based on low amplitude vertical deflections combined with horizontal ones generated by Lambertson-type septum magnets. This scheme offers substantial compactness in the longitudinal layouts of the beam lines and increased flexibility for beam delivery of multiple beam lines on a shot-to-shot basis. Fast kickers (FK) or transverse electric field RF Deflectors (RFD) provide the low amplitude deflections. Initially proposed at the Stanford Linear Accelerator Center (SLAC) as tools for beam diagnostics and more recently adopted for multiline beam pattern schemes, RFDs offer repetition capabilities and a likely better amplitude reproducibility when compared to FKs, which, in turn, offer more modest financial involvements both in construction and operation. Both solutions represent an ideal approach for the design of compact beam distribution systems resulting in space and cost savings while preserving flexibility and beam quality.
Nonstandard finite difference schemes
NASA Technical Reports Server (NTRS)
Mickens, Ronald E.
1995-01-01
The major research activities of this proposal center on the construction and analysis of nonstandard finite-difference schemes for ordinary and partial differential equations. In particular, we investigate schemes that either have zero truncation errors (exact schemes) or possess other significant features of importance for numerical integration. Our eventual goal is to bring these methods to bear on problems that arise in the modeling of various physical, engineering, and technological systems. At present, these efforts are extended in the direction of understanding the exact nature of these nonstandard procedures and extending their use to more complicated model equations. Our presentation will give a listing (obtained to date) of the nonstandard rules, their application to a number of linear and nonlinear, ordinary and partial differential equations. In certain cases, numerical results will be presented.
NASA Astrophysics Data System (ADS)
Liu, Xuan-Zuo; Tian, Dong-Ping; Chong, Bo
2016-06-01
Liu et al. [Phys. Rev. Lett. 90(17), 170404 (2003)] proved that the characters of transition probabilities in the adiabatic limit should be entirely determined by the topology of energy levels and the stability of fixed points in the classical Hamiltonian system, according to the adiabatic theorem. In the special case of nonlinear Landau-Zener model, we simplify their results to be that the properties of transition probabilities in the adiabatic limit should just be determined by the attributes of fixed points. It is because the topology of energy levels is governed by the behavior and symmetries of fixed points, and intuitively this fact is represented as a correspondence between energy levels and evolution curves of the fixed points which can be quantitatively described as the same complexity numbers.
Chemical control over the energy-level alignment in a two-terminal junction
NASA Astrophysics Data System (ADS)
Yuan, Li; Franco, Carlos; Crivillers, Núria; Mas-Torrent, Marta; Cao, Liang; Sangeeth, C. S. Suchand; Rovira, Concepció; Veciana, Jaume; Nijhuis, Christian A.
2016-07-01
The energy-level alignment of molecular transistors can be controlled by external gating to move molecular orbitals with respect to the Fermi levels of the source and drain electrodes. Two-terminal molecular tunnelling junctions, however, lack a gate electrode and suffer from Fermi-level pinning, making it difficult to control the energy-level alignment of the system. Here we report an enhancement of 2 orders of magnitude of the tunnelling current in a two-terminal junction via chemical molecular orbital control, changing chemically the molecular component between a stable radical and its non-radical form without altering the supramolecular structure of the junction. Our findings demonstrate that the energy-level alignment in self-assembled monolayer-based junctions can be regulated by purely chemical modifications, which seems an attractive alternative to control the electrical properties of two-terminal junctions.
Impact behaviour of Napier/polyester composites under different energy levels
NASA Astrophysics Data System (ADS)
Fahmi, I.; Majid, M. S. Abdul; Afendi, M.; Haslan, M.; Helmi E., A.; M. Haameem J., A.
2016-07-01
The effects of different energy levels on the impact behaviour of Napier fibre/polyester reinforced composites were investigated. Napier fibre was extracted using traditional water retting process to be utilized as reinforcing materials in polyester composite laminates. 25% fibre loading composite laminates were prepared and impacted at three different energy levels; 2.5,5 and 7.5 J using an instrumented drop weight impact testing machine (IMATEK IM10). The outcomes show that peak force and contact time increase with increased impact load. The energy absorption was then calculated from the force displacement curve. The results indicated that the energy absorption decreases with increasing energy levels of the impact. Impacted specimens were observed visually for fragmentation fracture using an optical camera to identify the failure mechanisms. Fracture fragmentation pattern from permanent dent to perforation with radial and circumferential was observed.
Chemical control over the energy-level alignment in a two-terminal junction
Yuan, Li; Franco, Carlos; Crivillers, Núria; Mas-Torrent, Marta; Cao, Liang; Sangeeth, C. S. Suchand; Rovira, Concepció; Veciana, Jaume; Nijhuis, Christian A.
2016-01-01
The energy-level alignment of molecular transistors can be controlled by external gating to move molecular orbitals with respect to the Fermi levels of the source and drain electrodes. Two-terminal molecular tunnelling junctions, however, lack a gate electrode and suffer from Fermi-level pinning, making it difficult to control the energy-level alignment of the system. Here we report an enhancement of 2 orders of magnitude of the tunnelling current in a two-terminal junction via chemical molecular orbital control, changing chemically the molecular component between a stable radical and its non-radical form without altering the supramolecular structure of the junction. Our findings demonstrate that the energy-level alignment in self-assembled monolayer-based junctions can be regulated by purely chemical modifications, which seems an attractive alternative to control the electrical properties of two-terminal junctions. PMID:27456200
Chemical control over the energy-level alignment in a two-terminal junction.
Yuan, Li; Franco, Carlos; Crivillers, Núria; Mas-Torrent, Marta; Cao, Liang; Sangeeth, C S Suchand; Rovira, Concepció; Veciana, Jaume; Nijhuis, Christian A
2016-01-01
The energy-level alignment of molecular transistors can be controlled by external gating to move molecular orbitals with respect to the Fermi levels of the source and drain electrodes. Two-terminal molecular tunnelling junctions, however, lack a gate electrode and suffer from Fermi-level pinning, making it difficult to control the energy-level alignment of the system. Here we report an enhancement of 2 orders of magnitude of the tunnelling current in a two-terminal junction via chemical molecular orbital control, changing chemically the molecular component between a stable radical and its non-radical form without altering the supramolecular structure of the junction. Our findings demonstrate that the energy-level alignment in self-assembled monolayer-based junctions can be regulated by purely chemical modifications, which seems an attractive alternative to control the electrical properties of two-terminal junctions. PMID:27456200
Experimental Energy Levels and Partition Function of the 12C2 Molecule
NASA Astrophysics Data System (ADS)
Furtenbacher, Tibor; Szabó, István; Császár, Attila G.; Bernath, Peter F.; Yurchenko, Sergei N.; Tennyson, Jonathan
2016-06-01
The carbon dimer, the 12C2 molecule, is ubiquitous in astronomical environments. Experimental-quality rovibronic energy levels are reported for 12C2, based on rovibronic transitions measured for and among its singlet, triplet, and quintet electronic states, reported in 42 publications. The determination utilizes the Measured Active Rotational-Vibrational Energy Levels (MARVEL) technique. The 23,343 transitions measured experimentally and validated within this study determine 5699 rovibronic energy levels, 1325, 4309, and 65 levels for the singlet, triplet, and quintet states investigated, respectively. The MARVEL analysis provides rovibronic energies for six singlet, six triplet, and two quintet electronic states. For example, the lowest measurable energy level of the {{a}}{}3{{{\\Pi }}}{{u}} state, corresponding to the J = 2 total angular momentum quantum number and the F 1 spin-multiplet component, is 603.817(5) cm‑1. This well-determined energy difference should facilitate observations of singlet–triplet intercombination lines, which are thought to occur in the interstellar medium and comets. The large number of highly accurate and clearly labeled transitions that can be derived by combining MARVEL energy levels with computed temperature-dependent intensities should help a number of astrophysical observations as well as corresponding laboratory measurements. The experimental rovibronic energy levels, augmented, where needed, with ab initio variational ones based on empirically adjusted and spin–orbit coupled potential energy curves obtained using the Duo code, are used to obtain a highly accurate partition function, and related thermodynamic data, for 12C2 up to 4000 K.
WAVELENGTHS, ENERGY LEVELS, LIFETIMES, AND WEIGHTED OSCILLATOR STRENGTHS FOR THE S VIII SPECTRUM
Pagan, C. J. B.; Cavalcanti, G. H.; Trigueiros, A. G.; Jupen, C.
2011-10-01
The weighted oscillator strengths (gf) and lifetimes for S VIII presented in this work were obtained by a multiconfigurational Hartree-Fock relativistic approach. In this calculation, the electrostatic energy parameters were optimized by a least-squares procedure in order to improve the adjustment to experimental energy levels. The values for gf and lifetimes were then calculated on the basis of these adjusted parameters. New classifications are proposed for energy levels belonging to the 4s and 4d configurations and lines related to them.
Energy levels of odd-even nuclei using broken pair model
Hamammu, I. M.; Haq, S.; Eldahomi, J. M.
2012-09-06
A method to calculate energy levels and wave functions of odd-even nuclei, in the frame work of the broken pair model have been developed. The accuracy of the model has been tested by comparing the shell model results of limiting cases in which the broken pair model exactly coincides with the shell model, where there are two-proton/neutron + one-neutron/proton in the valence levels. The model is then applied to calculate the energy levels of some nuclei in the Zirconium region. The model results compare reasonably well with the shell model as well as with the experimental data.
Calculating splittings between energy levels of different symmetry using path-integral methods.
Mátyus, Edit; Althorpe, Stuart C
2016-03-21
It is well known that path-integral methods can be used to calculate the energy splitting between the ground and the first excited state. Here we show that this approach can be generalized to give the splitting patterns between all the lowest energy levels from different symmetry blocks that lie below the first-excited totally symmetric state. We demonstrate this property numerically for some two-dimensional models. The approach is likely to be useful for computing rovibrational energy levels and tunnelling splittings in floppy molecules and gas-phase clusters. PMID:27004864
Energy Levels and Half-Lives of Gallium Isotopes Obtained by Photo-Nuclear Reaction
NASA Astrophysics Data System (ADS)
Dulger, F.; Akkoyun, S.; Bayram, T.; Dapo, H.; Boztosun, I.
2015-04-01
We have run an experiment to determine the energy levels and half-lives of Gallium nucleus by using the photonuclear reactions with end-point energy of 18 MeV bremsstrahlung photons, produced by a clinical linear accelerator. As a result of 71Ga(y,n)70Ga and 69Ga(Y,n)68Ga photonuclear reactions, the energy levels and half-lives of 70Ga and 68Ga nuclei have been determined. The results are in good agreement with the literature values.
Energy levels of odd-even nuclei using broken pair model
NASA Astrophysics Data System (ADS)
Hamammu, I. M.; Haq, S.; Eldahomi, J. M.
2012-09-01
A method to calculate energy levels and wave functions of odd-even nuclei, in the frame work of the broken pair model have been developed. The accuracy of the model has been tested by comparing the shell model results of limiting cases in which the broken pair model exactly coincides with the shell model, where there are two-proton/neutron + one-neutron/proton in the valence levels. The model is then applied to calculate the energy levels of some nuclei in the Zirconium region. The model results compare reasonably well with the shell model as well as with the experimental data.
ERIC Educational Resources Information Center
Wheeler, Mary L.
1994-01-01
Discusses the study of identification codes and check-digit schemes as a way to show students a practical application of mathematics and introduce them to coding theory. Examples include postal service money orders, parcel tracking numbers, ISBN codes, bank identification numbers, and UPC codes. (MKR)
Energy Levels in Helium and Neon Atoms by an Electron-Impact Method.
ERIC Educational Resources Information Center
Taylor, N.; And Others
1981-01-01
Electronic energy levels in noble gas atoms may be determined with a simple teaching apparatus incorporating a resonance potentials tube in which the electron beam intensity is held constant. The resulting spectra are little inferior to those obtained by more elaborate electron-impact methods and complement optical emission spectra. (Author/SK)
Improved Experimental and Theoretical Energy Levels of Carbon I from Solar Infrared Spectra
NASA Technical Reports Server (NTRS)
Chang, Edward S.; Geller, Murray
1997-01-01
We have improved the energy levels in neutral carbon using high resolution infrared solar spectra. The main source is the ATMOS spectrum measured by the Fourier transaform spectroscopy technique from 600 to 4800 cm-1, supplemented by the MARK IV balloon data, covering from 4700 to 5700 cm-1.
Peculiarities of collisional excitation transfer with excited screened energy levels of atoms
Gerasimov, V. A.; Gerasimov, V. V.; Pavlinskiy, A. V.
2007-09-15
We report an experimental discovery of deviations from the known regularities in collisional excitation transfer processes for metal atoms. The collisional excitation transfer with excited screened energy levels of thulium and dysprosium atoms is studied. The selecting role of the screening 6s shell in collisional excitation transfer is shown.
Probing Energy Levels of Large Array Quantum Dot Superlattice by Electronic Transport Measurement
NASA Astrophysics Data System (ADS)
Bisri, S. Z.; Degoli, E.; Spallanzani, N.; Krishnan, G.; Kooi, B.; Ghica, C.; Yarema, M.; Protesescu, L.; Heiss, W.; Kovalenko, M.; Pulci, O.; Ossicini, S.; Iwasa, Y.; Loi, M. A.
2015-03-01
Colloidal quantum dot superlattice (CQDS) emerges as new type of hybrid solids allowing easy fabrication of devices that exploits the quantum confinement properties of individual QD. This materials displays peculiar characters, making investigation of their transport properties nontrivial. Besides the bandgap variations, 0D nature of QD lead to the formation of discrete energy subbands. These subbands are crucial for multiple exciton generation (for efficient solar cell), thermoelectric material and multistate transistor. Full understanding of the CQDS energy level structure is vital to use them in complex devices. Here we show a powerful method to determine the CQDS electronic energy levels from their intrinsic charge transport characteristics. Via the use of ambipolar transistors with CQDS as active materials and gated using highly capacitive ionic liquid gating, Fermi energy can be largely tuned. It can access energy levels beyond QD's HOMO & LUMO. Ability to probe not only the bandgap, but also the discrete energy level from large assembly of QD at room temperature suggests the formation of energy minibands in this system.
Energy level realignment in weakly interacting donor-acceptor binary molecular networks.
Zhong, Jian-Qiang; Qin, Xinming; Zhang, Jia-Lin; Kera, Satoshi; Ueno, Nobuo; Wee, Andrew Thye Shen; Yang, Jinlong; Chen, Wei
2014-02-25
Understanding the effect of intermolecular and molecule-substrate interactions on molecular electronic states is key to revealing the energy level alignment mechanism at organic-organic heterojunctions or organic-inorganic interfaces. In this paper, we investigate the energy level alignment mechanism in weakly interacting donor-acceptor binary molecular superstructures, comprising copper hexadecafluorophthalocyanine (F16CuPc) intermixed with copper phthalocyanine (CuPc), or manganese phthalocynine (MnPc) on graphite. The molecular electronic structures have been systematically studied by in situ ultraviolet photoelectron spectroscopy (UPS) and low-temperature scanning tunneling microscopy/spectroscopy (LT-STM/STS) experiments and corroborated by density functional theory (DFT) calculations. As demonstrated by the UPS and LT-STM/STS measurements, the observed unusual energy level realignment (i.e., a large downward shift in donor HOMO level and a corresponding small upward shift in acceptor HOMO level) in the CuPc-F16CuPc binary superstructures originates from the balance between intermolecular and molecule-substrate interactions. The enhanced intermolecular interactions through the hydrogen bonding between neighboring CuPc and F16CuPc can stabilize the binary superstructures and modify the local molecular electronic states. The obvious molecular energy level shift was explained by gap-state-mediated interfacial charge transfer. PMID:24433044
Energy level modification in lead sulfide quantum dot thin films through ligand exchange.
Brown, Patrick R; Kim, Donghun; Lunt, Richard R; Zhao, Ni; Bawendi, Moungi G; Grossman, Jeffrey C; Bulović, Vladimir
2014-06-24
The electronic properties of colloidal quantum dots (QDs) are critically dependent on both QD size and surface chemistry. Modification of quantum confinement provides control of the QD bandgap, while ligand-induced surface dipoles present a hitherto underutilized means of control over the absolute energy levels of QDs within electronic devices. Here, we show that the energy levels of lead sulfide QDs, measured by ultraviolet photoelectron spectroscopy, shift by up to 0.9 eV between different chemical ligand treatments. The directions of these energy shifts match the results of atomistic density functional theory simulations and scale with the ligand dipole moment. Trends in the performance of photovoltaic devices employing ligand-modified QD films are consistent with the measured energy level shifts. These results identify surface-chemistry-mediated energy level shifts as a means of predictably controlling the electronic properties of colloidal QD films and as a versatile adjustable parameter in the performance optimization of QD optoelectronic devices. PMID:24824726
Hybridization schemes for clusters
NASA Astrophysics Data System (ADS)
Wales, David J.
The concept of an optimum hybridization scheme for cluster compounds is developed with particular reference to electron counting. The prediction of electron counts for clusters and the interpretation of the bonding is shown to depend critically upon the presumed hybridization pattern of the cluster vertex atoms. This fact has not been properly appreciated in previous work, particularly in applications of Stone's tensor surface harmonic (TSH) theory, but is found to be a useful tool when dealt with directly. A quantitative definition is suggested for the optimum cluster hybridization pattern based directly upon the ease of interpretation of the molecular orbitals, and results are given for a range of species. The relationship of this scheme to the detailed cluster geometry is described using Löwdin's partitioned perturbation theory, and the success and range of application of TSH theory are discussed.
Elliott, C.J.; Fisher, H.; Pepin, J.; Gillmann, R.
1996-07-01
Traffic classification techniques were evaluated using data from a 1993 investigation of the traffic flow patterns on I-20 in Georgia. First we improved the data by sifting through the data base, checking against the original video for questionable events and removing and/or repairing questionable events. We used this data base to critique the performance quantitatively of a classification method known as Scheme F. As a context for improving the approach, we show in this paper that scheme F can be represented as a McCullogh-Pitts neural network, oar as an equivalent decomposition of the plane. We found that Scheme F, among other things, severely misrepresents the number of vehicles in Class 3 by labeling them as Class 2. After discussing the basic classification problem in terms of what is measured, and what is the desired prediction goal, we set forth desirable characteristics of the classification scheme and describe a recurrent neural network system that partitions the high dimensional space up into bins for each axle separation. the collection of bin numbers, one for each of the axle separations, specifies a region in the axle space called a hyper-bin. All the vehicles counted that have the same set of in numbers are in the same hyper-bin. The probability of the occurrence of a particular class in that hyper- bin is the relative frequency with which that class occurs in that set of bin numbers. This type of algorithm produces classification results that are much more balanced and uniform with respect to Classes 2 and 3 and Class 10. In particular, the cancellation of errors of classification that occurs is for many applications the ideal classification scenario. The neural network results are presented in the form of a primary classification network and a reclassification network, the performance matrices for which are presented.
Energy Efficient Cluster Based Scheduling Scheme for Wireless Sensor Networks
Srie Vidhya Janani, E.; Ganesh Kumar, P.
2015-01-01
The energy utilization of sensor nodes in large scale wireless sensor network points out the crucial need for scalable and energy efficient clustering protocols. Since sensor nodes usually operate on batteries, the maximum utility of network is greatly dependent on ideal usage of energy leftover in these sensor nodes. In this paper, we propose an Energy Efficient Cluster Based Scheduling Scheme for wireless sensor networks that balances the sensor network lifetime and energy efficiency. In the first phase of our proposed scheme, cluster topology is discovered and cluster head is chosen based on remaining energy level. The cluster head monitors the network energy threshold value to identify the energy drain rate of all its cluster members. In the second phase, scheduling algorithm is presented to allocate time slots to cluster member data packets. Here congestion occurrence is totally avoided. In the third phase, energy consumption model is proposed to maintain maximum residual energy level across the network. Moreover, we also propose a new packet format which is given to all cluster member nodes. The simulation results prove that the proposed scheme greatly contributes to maximum network lifetime, high energy, reduced overhead, and maximum delivery ratio. PMID:26495417
Classification Schemes: Developments and Survival.
ERIC Educational Resources Information Center
Pocock, Helen
1997-01-01
Discusses the growth, survival and future of library classification schemes. Concludes that to survive, a scheme must constantly update its policies, and readily adapt itself to accommodate growing disciplines and changing terminology. (AEF)
NASA Technical Reports Server (NTRS)
Cockrum, R. H.
1982-01-01
One method being used to determine energy level(s) and electrical activity of impurities in silicon is described. The method is called capacitance transient spectroscopy (CTS). It can be classified into three basic categories: the thermally stimulated capacitance method, the voltage-stimulated capacitance method, and the light-stimulated capacitance method; the first two categories are discussed. From the total change in capacitance and the time constant of the capacitance response, emission rates, energy levels, and trap concentrations can be determined. A major advantage of using CTS is its ability to detect the presence of electrically active impurities that are invisible to other techniques, such as Zeeman effect atomic absorption, and the ability to detect more than one electrically active impurity in a sample. Examples of detection of majority and minority carrier traps from gold donor and acceptor centers in silicon using the capacitance transient spectrometer are given to illustrate the method and its sensitivity.
NASA Technical Reports Server (NTRS)
Schwenke, David W.; Langhoff, Stephen R. (Technical Monitor)
1995-01-01
A description is given of an algorithm for computing ro-vibrational energy levels for tetratomic molecules. The expressions required for evaluating transition intensities are also given. The variational principle is used to determine the energy levels and the kinetic energy operator is simple and evaluated exactly. The computational procedure is split up into the determination of one dimensional radial basis functions, the computation of a contracted rotational-bending basis, followed by a final variational step coupling all degrees of freedom. An angular basis is proposed whereby the rotational-bending contraction takes place in three steps. Angular matrix elements of the potential are evaluated by expansion in terms of a suitable basis and the angular integrals are given in a factorized form which simplifies their evaluation. The basis functions in the final variational step have the full permutation symmetries of the identical particles. Sample results are given for HCCH and BH3.
NASA Astrophysics Data System (ADS)
Lin, Chun-Hua; Cho, Sheng-Lung; Lin, Shiuan-Huei; Chi, Sien; Hsu, Ken-Yuh
2014-11-01
We investigate a two-wavelength method for recording a persistent hologram in a doped photopolymer. The recording method is based on two separated optical excitations of the four-energy-level system of the doped element, one at λ=325 nm as the sensitizing wavelength and the other at λ=647 nm as the writing wavelength, allowing for an experimental demonstration of nondestructive readout in phenanthrenequinone-doped poly(methyl methacrylate). Further, a four-energy-level rate equations model is proposed for describing the dynamics of hologram recording. The model successfully explains our experimental finding and further provides a general method to investigate such a two-wavelength holographic recording in photopolymer.
First-principles approach to calculating energy level alignment at aqueous semiconductor interfaces
Kharche, Neerav; Muckerman, James T.; Hybertsen, Mark S.
2014-10-21
A first-principles approach is demonstrated for calculating the relationship between an aqueous semiconductor interface structure and energy level alignment. The physical interface structure is sampled using density functional theory based molecular dynamics, yielding the interface electrostatic dipole. The GW approach from many-body perturbation theory is used to place the electronic band edge energies of the semiconductor relative to the occupied 1b₁ energy level in water. The application to the specific cases of nonpolar (101¯0 ) facets of GaN and ZnO reveals a significant role for the structural motifs at the interface, including the degree of interface water dissociation and themore » dynamical fluctuations in the interface Zn-O and O-H bond orientations. As a result, these effects contribute up to 0.5 eV.« less
Critically Evaluated Energy Levels and Spectral Lines of Singly Ionized Indium (In II)
Kramida, A
2013-01-01
A comprehensive list of the best measured wavelengths in the In II spectrum has been compiled. Uncertainties of the wavelength measurements have been analyzed, and existing inconsistencies have been resolved. An optimized set of fine-structure energy levels that fits all observed wavelengths has been derived. Uncertainties of the energy level values have been reduced by an order of magnitude. An improved value of the ionization limit of In II has been determined by fitting quantum-defect and polarization formulas for several series of levels. Intensities of lines observed by different authors have been analyzed and converted to a uniform scale. A set of recommended values of radiative transition rates has been critically compiled, and uncertainties of these rates have been estimated. The hyperfine structure interval in the 5s 2S ground state of In III has been determined from the measurements of the 5sng and 5snh series in In II. PMID:26401424
First-principles approach to calculating energy level alignment at aqueous semiconductor interfaces
Kharche, Neerav; Muckerman, James T.; Hybertsen, Mark S.
2014-10-21
A first-principles approach is demonstrated for calculating the relationship between an aqueous semiconductor interface structure and energy level alignment. The physical interface structure is sampled using density functional theory based molecular dynamics, yielding the interface electrostatic dipole. The GW approach from many-body perturbation theory is used to place the electronic band edge energies of the semiconductor relative to the occupied 1b₁ energy level in water. The application to the specific cases of nonpolar (101¯0 ) facets of GaN and ZnO reveals a significant role for the structural motifs at the interface, including the degree of interface water dissociation and the dynamical fluctuations in the interface Zn-O and O-H bond orientations. As a result, these effects contribute up to 0.5 eV.
Magnetic field dependence of energy levels in biased bilayer graphene quantum dots
NASA Astrophysics Data System (ADS)
da Costa, D. R.; Zarenia, M.; Chaves, Andrey; Farias, G. A.; Peeters, F. M.
2016-02-01
Using the tight-binding approach, we study the influence of a perpendicular magnetic field on the energy levels of hexagonal, triangular, and circular bilayer graphene (BLG) quantum dots (QDs) with zigzag and armchair edges. We obtain the energy levels for AB (Bernal)-stacked BLG QDs in both the absence and the presence of a perpendicular electric field (i.e., biased BLG QDs). We find different regions in the spectrum of biased QDs with respect to the crossing point between the lowest-electron and -hole Landau levels of a biased BLG sheet. Those different regions correspond to electron states that are localized at the center, edge, or corner of the BLG QD. Quantum Hall corner states are found to be absent in circular BLG QDs. The spatial symmetry of the carrier density distribution is related to the symmetry of the confinement potential, the position of zigzag edges, and the presence or absence of interlayer inversion symmetry.
Yasas, F M
1977-01-01
In response to a United Nations resolution, the Mobile Training Scheme (MTS) was set up to provide training to the trainers of national cadres engaged in frontline and supervisory tasks in social welfare and rural development. The training is innovative in its being based on an analysis of field realities. The MTS team consisted of a leader, an expert on teaching methods and materials, and an expert on action research and evaluation. The country's trainers from different departments were sent to villages to work for a short period and to report their problems in fulfilling their roles. From these grass roots experiences, they made an analysis of the job, determining what knowledge, attitude and skills it required. Analysis of daily incidents and problems were used to produce indigenous teaching materials drawn from actual field practice. How to consider the problems encountered through government structures for policy making and decisions was also learned. Tasks of the students were to identify the skills needed for role performance by job analysis, daily diaries and project histories; to analyze the particular community by village profiles; to produce indigenous teaching materials; and to practice the role skills by actual role performance. The MTS scheme was tried in Nepal in 1974-75; 3 training programs trained 25 trainers and 51 frontline workers; indigenous teaching materials were created; technical papers written; and consultations were provided. In Afghanistan the scheme was used in 1975-76; 45 participants completed the training; seminars were held; and an ongoing Council was created. It is hoped that the training program will be expanded to other countries. PMID:12265562
Interfacial energy level bending in a crystalline p/p-type organic heterostructure
Zhu Feng; Grobosch, Mandy; Treske, Uwe; Knupfer, Martin; Huang Lizhen; Ji Shiliang; Yan Donghang
2011-05-16
A conduction channel was observed at the heterointerface of the crystalline p-type organic films copper phthalocyanine (CuPc) and 2,5-bis(4-biphenylyl) bithiophene (BP2T). Energy level bending at the interface is confirmed by photoemission spectroscopy, which verifies a charge transfer between CuPc and BP2T. This provides a further route to utilize interfacial electronic properties in functional devices and also documents the importance of reconsidering the interfacial electronic structure of organic heterostructures.
Effect of a metallic gate on the energy levels of a shallow donor
Slachmuylders, A. F.; Partoens, B.; Peeters, F. M.; Magnus, W.
2008-02-25
We have investigated the effect of a metallic gate on the bound states of a shallow donor located near the gate. We calculate the energy spectrum as a function of the distance between the metallic gate and the donor and find an anticrossing behavior in the energy levels for certain distances. We show how a transverse electric field can tune the average position of the electron with respect to the metallic gate and the impurity.
Model for describing non-equilibrium helium plasma energy level population
NASA Astrophysics Data System (ADS)
Kavyrshin, D. I.; Chinnov, V. F.; Ageev, A. G.
2015-11-01
A new method for calculating the population of excited levels of helium atoms and ions is suggested. The method is based on direct solution of a system of balance equations for all energy levels for which it was possible to obtain process speed constants. The equations include terms for the processes of particle loss and income by excitation and deexcitation, ionization and recombination as well as losses due to diffusion and radiation. The challenge of solution of such large system is also discussed.
Liu, Yongsheng; Hong, Ziruo; Chen, Qi; Chen, Huajun; Chang, Wei-Hsuan; Yang, Yang Michael; Song, Tze-Bin; Yang, Yang
2016-01-20
Conjugated small-molecule hole-transport materials (HTMs) with tunable energy levels are designed and synthesized for efficient perovskite solar cells. A champion device with efficiency of 16.2% is demonstrated using a dopant-free DERDTS-TBDT HTM, while the DORDTS-DFBT-HTM-based device shows an inferior performance of 6.2% due to its low hole mobility and unmatched HOMO level with the valence band of perovskite film. PMID:26588665
Resonance lines and energy levels of Cs III, Ba IV, and La V
NASA Technical Reports Server (NTRS)
Epstein, G. L.; Reader, J.
1976-01-01
Spectra of Cs III, Ba IV, and La V were photographed in a low-voltage sliding spark on a 10.7 m normal-incidence vacuum spectrograph. These ions are isoelectronic with neutral iodine and display a halogen-like energy level structure. Detailed isoelectronic comparisons, level transition diagrams, and tabular data on the transitions of the ions and percentage compositions of Cs III configurations are presented.
Calculations of energy levels and lifetimes of low-lying states of barium and radium
Dzuba, V. A.; Ginges, J. S. M.
2006-03-15
We use the configuration-interaction method and many-body perturbation theory to perform accurate calculations of energy levels, transition amplitudes, and lifetimes of low-lying states of barium and radium. Calculations for radium are needed for the planning of measurements of parity- and time-invariance-violating effects which are strongly enhanced in this atom. Calculations for barium are used to control the accuracy of the calculations.
Enhanced cardiovascular function and energy level by a novel chromium (III)-supplement.
Thirunavukkarasu, Mahesh; Penumathsa, Sureshvarma; Juhasz, Bela; Zhan, Lijun; Bagchi, Manashi; Yasmin, Taharat; Shara, Michael A; Thatte, Hemant S; Bagchi, Debasis; Maulik, Nilanjana
2006-01-01
The impetus for the novel Energy Formula (EF) which combines the niacin-bound chromium (III) (0.45%) (NBC), standardized extract of Withania somnifera extracts (10.71%), caffeine (22.76%), D-ribose (10.71%) and selected amino acids such as phenylalanine, taurine and glutamine (55.37%) was based on the knowledge of the cardioprotective potentials of the Withania somnifera extract, caffeine and D-ribose as well as their abilities to increase energy levels and the abilities of amino acids to increase the muscle mass and energy levels. The effect of oral supplementation of EF on the safety, myocardial energy levels and cardioprotective ability were investigated in an ischemic-reperfused myocardium model in both male and female Sprague-Dawley rats over 90 days trial period. At the completion of 90 days, the EF-treated male and female rats gained 9.4% and 3.1% less body weights, respectively, as compared to their corresponding control groups. No significant difference was found in the levels of lipid peroxidation and activities of hepatic Aspartate transaminase, Alanine transaminase and Alkaline phosphatase in EF treatment when compared with control animals. The male and female rat hearts were subjected to 30 min of global ischemia followed by 2 h of reperfusion at 30 and 90 days of EF treatment. Cardiovascular functions including heart rate, coronary flow, aortic flow, dp/dt(max), left ventricular developed pressure (LVDP) and infarct size were monitored. The levels of myocardial adenosine triphosphate (ATP), creatine phosphate (CP), phospho-adenosine monophosphate kinase (p-AMPK) levels, were analyzed at the end of 30 and 90 days of treatment. Significant improvement was observed in all parameters in the EF treatment groups as compared to their corresponding controls. Thus the niacin-bound chromium (III) based energy formula is safe and effective supplement to boost energy levels and cardioprotection. PMID:17012764
Energy-level structure of the hydrogen atom confined by a penetrable cylindrical cavity
NASA Astrophysics Data System (ADS)
Cabrera-Trujillo, R.; Méndez-Fragoso, R.; Cruz, S. A.
2016-01-01
The bound-state energy spectrum and its evolution for a hydrogen atom located along the axis of a standard cylindrical confining cavity with either impenetrable or penetrable confining boundaries are obtained by solving the stationary Schrödinger equation using a finite differences approach. New results are first presented for a nuclear-centered position for the penetrable case as the barrier height and cavity size change. Special attention is then given to the energy-level dependence on the nuclear position along the cylinder axis, where proper identification for the evolution of states from the nuclear-centered position (centered states) up to the cylinder cap (cap states) is proposed, while the corresponding state evolution for intermediate nuclear positions (intermediate states) remains consistent with node conservation and symmetry. It is found that in general the energy levels evolve with an increasing value as the nuclear position is shifted from the central position up to a cylinder cap. As the barrier height (and cavity size) are reduced, a progressive extinction of bound states appears in the order cap states, intermediate states and centered states. Finally, a predominance of cavity-size over barrier-height effects on the energy level shift is found.
Effect of acidity on the energy level of curcumin dye extracted from Curcuma longa L.
NASA Astrophysics Data System (ADS)
Agustia, Yuda Virgantara; Suyitno, Arifin, Zainal; Sutanto, Bayu
2016-03-01
The purpose of this research is to investigate the effect of acidity on the energy level of curcumin dye. The natural dye, curcumin, was synthesized from Curcuma longa L. using a simple extraction technique. The purification of curcumin dye was conducted in a column of chromatography and its characteristics were studied. Next, the purified curcumin dye was added by benzoic acids until various acidities of 3.0, 3.5, 4.0, 4.5, and 5.0. The absorbance spectra and the functionality groups found in the dyes were detected by ultraviolet-visible spectroscopy and Fourier-transform infrared spectroscopy, respectively. Meanwhile, the energy level of the dyes, EHOMO and ELUMO was measured by cyclic voltammetry. The best energy level of curcumin dye was achieved at pH 3.5 where Ered = -0.37V, ELUMO = -4.28 eV, Eox = 1.15V, EHOMO = -5.83 eV, and Eband gap = 1.55 eV. Therefore, the purified curcumin dye added by benzoic acid was promising for sensitizing the dye-sensitized solar cells.
by ligand exchange: utilizing energy level alignment for efficiently reducing carrier rec ombination
NASA Astrophysics Data System (ADS)
Wang, Xia; Kou, Dong-Xing; Zhou, Wen-Hui; Zhou, Zheng-Ji; Wu, Si-Xin; Cao, Xuan
2014-05-01
In this work, we employed a convenient one-step synthesis method for synthesizing Cu2ZnSnSe4 (CZTSe) nanocrystals (NCs) in an excess selenium environment. This excess selenium situation enhanced the reaction of metal acetylacetonates with selenium, resulting in the burst nucleation of NCs at relatively low temperatures. The phase morphology and surface and optoelectronic properties of NCs before and after ligand exchange were discussed in depth. It was found that pure tetragonal-phase structure CZTSe NCs with approximately 1.7-eV bandgap could be synthesized. The removal of large organic molecules on CZTSe NCs after ligand exchange by S2- decreased the resistivity. The bandgap of the films after ligand exchange by 550°C selenization was also decreased due to better crystallinity. For potential application in CZTSe solar cells, we constructed an energy level diagram to explain the mutual effect between the absorption layer and CdS layer. Using cyclic voltammetry (CV) measurement, we found that the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels of CZTSe films shifted down after ligand exchange. After energy level alignment at the CdS/CZTSe interface, a type I band alignment structure was more conveniently formed after ligand exchange. This structure acted as the barrier against injection electrons from ZnO to the CZTSe layer, and recombination would subsequently be depressed.
Cochrane, K A; Schiffrin, A; Roussy, T S; Capsoni, M; Burke, S A
2015-01-01
Organic semiconductor devices rely on the movement of charge at and near interfaces, making an understanding of energy level alignment at these boundaries an essential element of optimizing materials for electronic and optoelectronic applications. Here we employ low temperature scanning tunneling microscopy and spectroscopy to investigate a model system: two-dimensional nanostructures of the prototypical organic semiconductor, PTCDA (3,4,9,10-perylenetetracarboxylic dianhydride) adsorbed on NaCl (2 ML)/Ag(111). Pixel-by-pixel scanning tunneling spectroscopy allows mapping of occupied and unoccupied electronic states across these nanoislands with sub-molecular spatial resolution, revealing strong electronic differences between molecules at the edges and those in the centre, with energy level shifts of up to 400 meV. We attribute this to the change in electrostatic environment at the boundaries of clusters, namely via polarization of neighbouring molecules. The observation of these strong shifts illustrates a crucial issue: interfacial energy level alignment can differ substantially from the bulk electronic structure in organic materials. PMID:26440933
NASA Astrophysics Data System (ADS)
Cochrane, K. A.; Schiffrin, A.; Roussy, T. S.; Capsoni, M.; Burke, S. A.
2015-10-01
Organic semiconductor devices rely on the movement of charge at and near interfaces, making an understanding of energy level alignment at these boundaries an essential element of optimizing materials for electronic and optoelectronic applications. Here we employ low temperature scanning tunneling microscopy and spectroscopy to investigate a model system: two-dimensional nanostructures of the prototypical organic semiconductor, PTCDA (3,4,9,10-perylenetetracarboxylic dianhydride) adsorbed on NaCl (2 ML)/Ag(111). Pixel-by-pixel scanning tunneling spectroscopy allows mapping of occupied and unoccupied electronic states across these nanoislands with sub-molecular spatial resolution, revealing strong electronic differences between molecules at the edges and those in the centre, with energy level shifts of up to 400 meV. We attribute this to the change in electrostatic environment at the boundaries of clusters, namely via polarization of neighbouring molecules. The observation of these strong shifts illustrates a crucial issue: interfacial energy level alignment can differ substantially from the bulk electronic structure in organic materials.
Cochrane, K. A.; Schiffrin, A.; Roussy, T. S.; Capsoni, M.; Burke, S. A.
2015-01-01
Organic semiconductor devices rely on the movement of charge at and near interfaces, making an understanding of energy level alignment at these boundaries an essential element of optimizing materials for electronic and optoelectronic applications. Here we employ low temperature scanning tunneling microscopy and spectroscopy to investigate a model system: two-dimensional nanostructures of the prototypical organic semiconductor, PTCDA (3,4,9,10-perylenetetracarboxylic dianhydride) adsorbed on NaCl (2 ML)/Ag(111). Pixel-by-pixel scanning tunneling spectroscopy allows mapping of occupied and unoccupied electronic states across these nanoislands with sub-molecular spatial resolution, revealing strong electronic differences between molecules at the edges and those in the centre, with energy level shifts of up to 400 meV. We attribute this to the change in electrostatic environment at the boundaries of clusters, namely via polarization of neighbouring molecules. The observation of these strong shifts illustrates a crucial issue: interfacial energy level alignment can differ substantially from the bulk electronic structure in organic materials. PMID:26440933
Energy Level Alignment at Aqueous GaN and ZnO Interfaces
NASA Astrophysics Data System (ADS)
Hybertsen, Mark S.; Kharche, Neerav; Muckerman, James T.
2014-03-01
Electronic energy level alignment at semiconductor-electrolyte interfaces is fundamental to electrochemical activity. Motivated in particular by the search for new materials that can be more efficient for photocatalysis, we develop a first principles method to calculate this alignment at aqueous interfaces and demonstrate it for the specific case of non-polar GaN and ZnO interfaces with water. In the first step, density functional theory (DFT) based molecular dynamics is used to sample the physical interface structure and to evaluate the electrostatic potential step at the interface. In the second step, the GW approach is used to evaluate the reference electronic energy level separately in the bulk semiconductor (valence band edge energy) and in bulk water (the 1b1 energy level), relative to the internal electrostatic energy reference. Use of the GW approach naturally corrects for errors inherent in the use of Kohn-Sham energy eigenvalues to approximate the electronic excitation energies in each material. With this predicted interface alignment, specific redox levels in water, with potentials known relative to the 1b1 level, can then be compared to the semiconductor band edge positions. Our results will be discussed in the context of experiments in which photoexcited GaN and ZnO drive the hydrogen evolution reaction. Research carried out at Brookhaven National Laboratory under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy.
Energy transfer and energy level decay processes of Er3+ in water-free tellurite glass
NASA Astrophysics Data System (ADS)
Gomes, Laercio; Rhonehouse, Daniel; Nguyen, Dan T.; Zong, Jie; Chavez-Pirson, Arturo; Jackson, Stuart D.
2015-12-01
This report details the fundamental spectroscopic properties of a new class of water-free tellurite glasses studied for future applications in mid-infrared light generation. The fundamental excited state decay processes relating to the 4I11/2 → 4I13/2 transition in singly Er3+-doped Tellurium Zinc Lanthanum glass have been investigated using time-resolved fluorescence spectroscopy. The excited state dynamics was analyzed for Er2O3 concentrations between 0.5 mol% and 4 mol%. Selective laser excitation of the 4I11/2 energy level at 972 nm and selective laser excitation of the 4I13/2 energy level at 1485 nm has established that in a similar way to other Er3+-doped glasses, a strong energy-transfer upconversion by way of a dipole-dipole interaction between two excited erbium ions in the 4I13/2 level populates the 4I11/2 upper laser level of the 3 μm transition. The 4I13/2 and 4I11/2 energy levels emitted luminescence with peaks located at 1532 nm and 2734 nm respectively with luminescence efficiencies of 100% and 8% for the higher (4 mol.%) concentration sample. Results from numerical simulations showed that a population inversion is reached at a threshold pumping intensity of ∼57 kW cm-2 for a CW laser pump at 976 nm for [Er2O3] = 2 mol.%.
Variational calculation of highly excited rovibrational energy levels of H2O2.
Polyansky, Oleg L; Kozin, Igor N; Ovsyannikov, Roman I; Małyszek, Paweł; Koput, Jacek; Tennyson, Jonathan; Yurchenko, Sergei N
2013-08-15
Results are presented for highly accurate ab initio variational calculation of the rotation-vibration energy levels of H2O2 in its electronic ground state. These results use a recently computed potential energy surface and the variational nuclear-motion programs WARV4, which uses an exact kinetic energy operator, and TROVE, which uses a numerical expansion for the kinetic energy. The TROVE calculations are performed for levels with high values of rotational excitation, J up to 35. The purely ab initio calculations of the rovibrational energy levels reproduce the observed levels with a standard deviation of about 1 cm(-1), similar to that of the J = 0 calculation, because the discrepancy between theory and experiment for rotational energies within a given vibrational state is substantially determined by the error in the vibrational band origin. Minor adjustments are made to the ab initio equilibrium geometry and to the height of the torsional barrier. Using these and correcting the band origins using the error in J = 0 states lowers the standard deviation of the observed-calculated energies to only 0.002 cm(-1) for levels up to J = 10 and 0.02 cm(-1) for all experimentally known energy levels, which extend up to J = 35. PMID:23611762
NASA Astrophysics Data System (ADS)
Tennyson, Jonathan; Bernath, Peter F.; Brown, Linda R.; Campargue, Alain; Császár, Attila G.; Daumont, Ludovic; Gamache, Robert R.; Hodges, Joseph T.; Naumenko, Olga V.; Polyansky, Oleg L.; Rothman, Laurence S.; Vandaele, Ann Carine; Zobov, Nikolai F.; Dénes, Nóra; Fazliev, Alexander Z.; Furtenbacher, Tibor; Gordon, Iouli E.; Hu, Shui-Ming; Szidarovszky, Tamás; Vasilenko, Irina A.
2014-07-01
This paper is the fourth of a series of papers reporting critically evaluated rotational-vibrational line positions, transition intensities, pressure dependences, and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. This paper presents energy level and transition data for the following doubly and triply substituted isotopologues of water: D216O, D217O, and D218O. The MARVEL (Measured Active Rotational-Vibrational Energy Levels) procedure is used to determine the levels, the lines, and their self-consistent uncertainties for the spectral regions 0-14 016, 0-7969, and 0-9108 cm-1 for D216O, D217O, and D218O, respectively. For D216O, D217O, and D218O, 53 534, 600, and 12 167 lines are considered, respectively, from spectra recorded in absorption at room temperature and in emission at elevated temperatures. The number of validated energy levels is 12 269, 338, and 3351 for D216O, D217O, and D218O, respectively. The energy levels have been checked against the ones determined, with an average accuracy of about 0.03 cm-1, from variational rovibrational computations employing exact kinetic energy operators and an accurate potential energy surface. Furthermore, the rovibrational labels of the energy levels have been validated by an analysis of the computed wavefunctions using the rigid-rotor decomposition (RRD) scheme. The extensive list of MARVEL lines and levels obtained is deposited in the Supplementary Material of this paper, in a distributed information system applied to water, W@DIS, and on the official MARVEL website, where they can easily be retrieved.
Using Steffe's Advanced Fraction Schemes
ERIC Educational Resources Information Center
McCloskey, Andrea V.; Norton, Anderson H.
2009-01-01
Recognizing schemes, which are different from strategies, can help teachers understand their students' thinking about fractions. Using Steffe's advanced fraction schemes, the authors describe a progression of development that upper elementary and middle school students might follow in understanding fractions. Each scheme can be viewed as a…
The program LOPT for least-squares optimization of energy levels
NASA Astrophysics Data System (ADS)
Kramida, A. E.
2011-02-01
The article describes a program that solves the least-squares optimization problem for finding the energy levels of a quantum-mechanical system based on a set of measured energy separations or wavelengths of transitions between those energy levels, as well as determining the Ritz wavelengths of transitions and their uncertainties. The energy levels are determined by solving the matrix equation of the problem, and the uncertainties of the Ritz wavenumbers are determined from the covariance matrix of the problem. Program summaryProgram title: LOPT Catalogue identifier: AEHM_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHM_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 19 254 No. of bytes in distributed program, including test data, etc.: 427 839 Distribution format: tar.gz Programming language: Perl v.5 Computer: PC, Mac, Unix workstations Operating system: MS Windows (XP, Vista, 7), Mac OS X, Linux, Unix (AIX) RAM: 3 Mwords or more Word size: 32 or 64 Classification: 2.2 Nature of problem: The least-squares energy-level optimization problem, i.e., finding a set of energy level values that best fits the given set of transition intervals. Solution method: The solution of the least-squares problem is found by solving the corresponding linear matrix equation, where the matrix is constructed using a new method with variable substitution. Restrictions: A practical limitation on the size of the problem N is imposed by the execution time, which scales as N and depends on the computer. Unusual features: Properly rounds the resulting data and formats the output in a format suitable for viewing with spreadsheet editing software. Estimates numerical errors resulting from the limited machine precision. Running time: 1 s for N=100, or 60 s for N=400 on a typical PC.
ERIC Educational Resources Information Center
Bergman, Jerry
1979-01-01
Research shows that there is a positive relationship between high energy levels and creativity and giftedness. To provide for the high energy levels, these children need to be kept busy at beneficial activities such as independent study, individualized programs, and/or enrichment classes. (Author/PHR)
Experimental Energy Levels of HD18O and D_218O
NASA Astrophysics Data System (ADS)
Mikhailenko, S. N.; Naumenko, O. V.; Tashkun, S. A.; Liu, A.-W.; Hu, S.-M.
2010-06-01
Extended sets of experimental energy levels of HD18O and D_218O have been obtained as the result of the analysis of recent high-resolution spectra and previously reported data. Spectra of the enriched by deuterium and oxygen-18 water samples were recorded with a Bruker IFS 120HR spectrometer at room temperature in the 1000 - 9200 cm-1 range a,b for this purpose. The RITZ code h was used for analysis of the rotation-vibration transitions and the energy levels determination. New energy levels as well as comparison with previous experimental and theoretical studies will be presented. This work was supported by Grant nos. 06-03-39014 and 10-05-91176 of RFBR (Russia) and by Grant nos. 20903085 and 10574124 of NSFC (China). Work of SNM and SAT was also partly supported by CRDF (USA) Grant RUG1-2954-TO-09 and by RFBR. Grant 09-05-92508. A.-W. Liu et al., J. Mol. Spectrosc. 237, 149-162 (2006). H.-Y. Ni et al., Mol. Phys. 106, 1793-1801 (2008). J. Bellet et al., J. Mol. Spectrosc. 47, 388-402 (1973). J.W.C. Johns, J. Opt. Soc. Am. B2, 1340-1354 (1985). R.A. Toth, J. Mol. Spectrosc. 162, 41-54 (1993). W.F. Wang et al., J. Mol. Spectrosc. 176, 226-228 (1996). R.A. Toth, J. Mol. Structure, 742, 49-68 (2005). S.N. Mikhailenko et al., JQSRT, 110, 597-608 (2009). A. Liu et al., JQSRT, 110, 1781-1800 (2009). O.V. Naumenko et al., JQSRT, 111, 36-44 (2010).
Calculation of energy levels, {ital E}1 transition amplitudes, and parity violation in francium
Dzuba, V.A.; Flambaum, V.V.; Sushkov, O.P.
1995-05-01
Many-body perturbation theory in the screened Coulomb interaction was used to calculate energy levels, {ital E}1 trransition amplitudes, and the parity-nonconserving (PNC) {ital E}1 amplitude of the 7{ital s}-8{ital s} transition in francium. The method takes into account the core-polarization effect, the second-order correlations, and the three dominating sequences of higher-order correlation diagrams: screening of the electron-electron interaction, particle-hole interaction, and the iterations of the self-energy operator. The result for the PNC amplitude for {sup 223}Fr is {ital E}1(7{ital s}-8{ital s})=(1.59{plus_minus}{similar_to}1%){times}10{sup {minus}10}{ital iea}{sub {ital B}}({minus}{ital Q}{sub {ital W}}/{ital N}), where {ital Q}{sub {ital W}} is the weak charge of the nucleus, {ital N}=136 is the number of neutrons, {ital e}={vert_bar}{ital e}{vert_bar} is the elementary charge, and {ital a}{sub {ital B}} is the Bohr radius. Our prediction for the position of the 8{ital s} energy level of Fr, which has not been measured yet, is 13 110 cm{sup {minus}1} below the limit of the continuous spectrum. The accuracy of the calculations was controlled by comparison with available experimental data and analogous calculations for cesium. It is estimated to be {similar_to}0.1% for the energy levels and {similar_to}1% for the transition amplitudes.
Energy Levels and Transition Rates for GA-Like Ions (Xe XXIV-Pr XXIX)
NASA Astrophysics Data System (ADS)
El-Sayed, F.
2015-07-01
Energy levels, wavelengths, transition probabilities, oscillator strengths, and line strengths have been calculated for allowed electric dipole 4s 2 4p-4s4p 2 and 4s 2 4p-4s 2 4d transitions of Gallium-like ions from Z = 54 to 59, Xe XXIV, Cs XXV, Ba XXVI, La XXVII, Ce XXVIII, and Pr XXIX. The fully relativistic multiconfiguration Dirac-Fock method, taking into account both correlations within the n = 4 complex and the quantum electrodynamic effects, has been used in the calculations. The results have been compared with the available experimental and other theoretical results.
Jin, S. S.; Jung, S. W.; Jang, J. C.; Chung, W. L.; Jeong, J. H.; Kim, Y. Y.
2016-01-01
This experiment was conducted to investigate the effects of dietary energy levels on the physiological parameters and reproductive performance of gestating first parity sows. A total of 52 F1 gilts (Yorkshire×Landrace) were allocated to 4 dietary treatments using a completely randomized design. Each treatment contained diets with 3,100, 3,200, 3,300, or 3,400 kcal of metabolizable energy (ME)/kg, and the daily energy intake of the gestating gilts in each treatment were 6,200, 6,400, 6,600, and 6,800 kcal of ME, respectively. During gestation, the body weight (p = 0.04) and weight gain (p = 0.01) of gilts linearly increased with increasing dietary energy levels. Backfat thickness was not affected at d110 of gestation by dietary treatments, but increased linearly (p = 0.05) from breeding to d 110 of gestation. There were no significant differences on the litter size or litter birth weight. During lactation, the voluntary feed intake of sows tended to decrease when the dietary energy levels increased (p = 0.08). No difference was observed in backfat thickness of the sows within treatments; increasing energy levels linearly decreased the body weight of sows (p<0.05) at d 21 of lactation and body weight gain during lactation (p<0.01). No significant differences were observed in the chemical compositions of colostrum and milk. Therefore, these results indicated that high-energy diets influenced the bodyweight and backfat thickness of sows during gestation and lactation. NRC (2012) suggested that the energy requirement of the gestation gilt should be between 6,678 and 7,932 kcal of ME/d. Similarly, our results suggested that 3,100 kcal of ME/kg is not enough to maintain the reproductive performance for gilts during gestation with 2 kg feed daily. Gilts in the treatment 3,400 kcal of ME/kg have a higher weaning number of piglets, but bodyweight and backfat loss were higher than other treatments during lactation. But bodyweight and backfat loss were higher than other
Energy level alignment at the interfaces in a multilayer organic light-emitting diode structure
NASA Astrophysics Data System (ADS)
Olthof, S.; Meerheim, R.; Schober, M.; Leo, K.
2009-06-01
We use photoelectron spectroscopy to study the electronic structure and energy level alignment throughout an organic light-emitting diode. The structure under investigation is a state-of-the-art long-living red phosphorescent device composed of doped charge-injection layers, charge-blocking layers, and an emission layer. By consecutively building up the whole device, the key parameters of every interface are measured. Our results show that the doped layers have a significant influence on the device energetics, especially in controlling the built-in potential, and that there are mostly only small dipoles present at the interfaces of the intrinsic organic layers.
Sansonetti, Craig J.; Nave, Gillian; Reader, Joseph; Kerber, Florian
2012-10-15
We report new observations of the spectrum of singly ionized chromium (Cr II) in the region 1142-3954 A. The spectra were recorded with the National Institute of Standards and Technology 10.7 m normal-incidence vacuum spectrograph and FT700 vacuum ultraviolet Fourier transform spectrometer. More than 3600 lines are classified as transitions among 283 even and 368 odd levels. The new spectral data are used to re-optimize the energy levels, reducing their uncertainties by a typical factor of 20.
Jin, S S; Jung, S W; Jang, J C; Chung, W L; Jeong, J H; Kim, Y Y
2016-07-01
This experiment was conducted to investigate the effects of dietary energy levels on the physiological parameters and reproductive performance of gestating first parity sows. A total of 52 F1 gilts (Yorkshire×Landrace) were allocated to 4 dietary treatments using a completely randomized design. Each treatment contained diets with 3,100, 3,200, 3,300, or 3,400 kcal of metabolizable energy (ME)/kg, and the daily energy intake of the gestating gilts in each treatment were 6,200, 6,400, 6,600, and 6,800 kcal of ME, respectively. During gestation, the body weight (p = 0.04) and weight gain (p = 0.01) of gilts linearly increased with increasing dietary energy levels. Backfat thickness was not affected at d110 of gestation by dietary treatments, but increased linearly (p = 0.05) from breeding to d 110 of gestation. There were no significant differences on the litter size or litter birth weight. During lactation, the voluntary feed intake of sows tended to decrease when the dietary energy levels increased (p = 0.08). No difference was observed in backfat thickness of the sows within treatments; increasing energy levels linearly decreased the body weight of sows (p<0.05) at d 21 of lactation and body weight gain during lactation (p<0.01). No significant differences were observed in the chemical compositions of colostrum and milk. Therefore, these results indicated that high-energy diets influenced the bodyweight and backfat thickness of sows during gestation and lactation. NRC (2012) suggested that the energy requirement of the gestation gilt should be between 6,678 and 7,932 kcal of ME/d. Similarly, our results suggested that 3,100 kcal of ME/kg is not enough to maintain the reproductive performance for gilts during gestation with 2 kg feed daily. Gilts in the treatment 3,400 kcal of ME/kg have a higher weaning number of piglets, but bodyweight and backfat loss were higher than other treatments during lactation. But bodyweight and backfat loss were higher than other
Energy levels and lifetimes of Nd IV, Pm IV, Sm IV, and Eu IV
Dzuba, V. A.; Safronova, U. I.; Johnson, W. R.
2003-09-01
To address the shortage of experimental data for electron spectra of triply ionized rare-earth elements we have calculated energy levels and lifetimes of 4f{sup n+1} and 4f{sup n}5d configurations of Nd IV (n=2), Pm IV (n=3), Sm IV (n=4), and Eu IV (n=5) using Hartree-Fock and configuration-interaction methods. To control the accuracy of our calculations we also performed similar calculations for Pr III, Nd III, and Sm III, for which experimental data are available. The results are important, in particular, for physics of magnetic garnets.
Zhou, Kaining; Feng, Zhongshan; Shen, Jun; Wu, Bing; Luo, Xiaobing; Jiang, Sha; Li, Li; Zhou, Xianju
2016-04-01
High resolution spectra and luminescent lifetimes of 6 europium(III)-cinnamic acid complex {[Eu2L6(DMF)(H2O)]·nDMF·H2O}m (L=cinnamic acid I, 4-methyl-cinnamic acid II, 4-chloro-cinnamic acid III, 4-methoxy-cinnamic acid IV, 4-hydroxy-cinnamic acid V, 4-nitro-cinnamic acid VI; DMF=N, N-dimethylformamide, C3H7NO) were recorded from 8 K to room temperature. The energy levels of Eu(3+) in these 6 complexes are obtained from the spectra analysis. It is found that the energy levels of the central Eu(3+) ions are influenced by the nephelauxetic effect, while the triplet state of ligand is lowered by the p-π conjugation effect of the para-substituted functional groups. The best energy matching between the ligand triplet state and the central ion excited state is found in complex I. While the other complexes show poorer matching because the gap of (5)D0 and triplet state contracts. PMID:26802538
Schlesinger, R.; Bianchi, F.; Blumstengel, S.; Christodoulou, C.; Ovsyannikov, R.; Kobin, B.; Moudgil, K.; Barlow, S.; Hecht, S.; Marder, S.R.; Henneberger, F.; Koch, N.
2015-01-01
The fundamental limits of inorganic semiconductors for light emitting applications, such as holographic displays, biomedical imaging and ultrafast data processing and communication, might be overcome by hybridization with their organic counterparts, which feature enhanced frequency response and colour range. Innovative hybrid inorganic/organic structures exploit efficient electrical injection and high excitation density of inorganic semiconductors and subsequent energy transfer to the organic semiconductor, provided that the radiative emission yield is high. An inherent obstacle to that end is the unfavourable energy level offset at hybrid inorganic/organic structures, which rather facilitates charge transfer that quenches light emission. Here, we introduce a technologically relevant method to optimize the hybrid structure's energy levels, here comprising ZnO and a tailored ladder-type oligophenylene. The ZnO work function is substantially lowered with an organometallic donor monolayer, aligning the frontier levels of the inorganic and organic semiconductors. This increases the hybrid structure's radiative emission yield sevenfold, validating the relevance of our approach. PMID:25872919
K-shell energy levels and radiative rates for transitions in Si ix
NASA Astrophysics Data System (ADS)
Wei, H. G.; Shi, J. R.; Wang, F. L.; Zhong, J. Y.; Liang, G. Y.; Zhao, G.
2014-06-01
Context. Accurate atomic data are needed to analyze the Si ix K-shell features in astrophysical X-ray spectra. Relative large discrepancies in the existing atomic data have impeded this progress. Aims: We present the accurate Si ix K-shell transition data, including K-shell energy levels, wavelengths, radiative rates, and oscillator strengths. Methods: The flexible atomic code (FAC), which is a fully relativistic atomic code with configuration interaction (CI) included, was employed to calculate these data. To investigate the CI effects, calculations with different configurations included were carried out. Results: The K-shell atomic data of Si ix transitions between 1s22s22p2, 1s22s2p3, 1s22p4, 1s2s22p3, 1s2s2p4, and 1s2p5 are reported. The accuracy of our data is demonstrated by comparing them with the available experimental measurements and theoretical calculations. The energy levels are accurate to 3.5 eV, the wavelengths to within 15 mÅ. For most transitions, the radiative rates an accuracy of 20%. The effects of CI from high-energy configurations were investigated as well. Full Tables 3 and 4 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/566/A105
Calculation of energy levels, lifetimes and radiative data for La XXIX to Sm XXXIV
NASA Astrophysics Data System (ADS)
Goyal, Arun; Khatri, Indu; Aggarwal, Sunny; Singh, A. K.; Mohan, Man
2016-01-01
We present the most comprehensive atomic data for La XXIX to Sm XXXIV with single electron excitation from M-shell to N-shell and N-shell to higher shells. We have presented energy levels, lifetimes and radiative data using Multi-configuration Dirac-Fock (MCDF) method for the lowest 27 states belonging to the configuration 3d104l (l = 0 , 1 , 2 , 3), 3d105l (l = 0 , 1 , 2 , 3 , 4), 3d106l (l = 0 , 1 , 2 , 3 , 4) and 3d94s2. We have also considered relativistic effects by incorporating quantum electrodynamics (QED) and Breit corrections. We have made comparisons of our presented results with available theoretical as well as experimental results and a good agreement is achieved. Further, we have also reported energy levels by performing distorted wave calculations with fully relativistic flexible atomic code (FAC). The calculations match well with MCDF results. Additionally, we have investigated the effect of nuclear charge on transition wavelength and radiative rates for strong Extreme Ultraviolet (EUV) transitions from n = 4 → 4. We believe that our reported data in this work may be useful in various applications of lanthanide ions related to broad area of research such as applied physics, laser physics and astrophysics etc.
Energy levels, radiative rates, and lifetimes for transitions in W LVIII
NASA Astrophysics Data System (ADS)
Aggarwal, Kanti M.; Keenan, Francis P.
2014-11-01
Energy levels and radiative rates are reported for transitions in Cl-like W LVIII. Configuration interaction (CI) has been included among 44 configurations (generating 4978 levels) over a wide energy range up to 363 Ryd, and the general-purpose relativistic atomic structure package (GRASP) adopted for the calculations. Since no other results of comparable complexity are available, calculations have also been performed with the flexible atomic code (FAC), which help in assessing the accuracy of our results. Energies are listed for the lowest 400 levels (with energies up to ˜98 Ryd), which mainly belong to the 3s23p5, 3s3p6, 3s23p43d, 3s23p33d2, 3s3p43d2, 3s23p23d3, and 3p63d configurations, and radiative rates are provided for four types of transitions, i.e. E1, E2, M1, and M2. Our energy levels are assessed to be accurate to better than 0.5%, whereas radiative rates (and lifetimes) should be accurate to better than 20% for a majority of the strong transitions.
Lorentz and CPT violating corrections to hydrogen energy levels at order 2̂
NASA Astrophysics Data System (ADS)
Adkins, Gregory; Yoder, Theodore
2012-03-01
The standard model extension (SME) is an effective field theory for physics beyond the SM that contains non-SM effects such as Lorentz and CPT violation. The SME effective Lagrangian contains a number of coefficients that describe new interactions. These as-yet-unobserved coefficients must be small. One approach for the detection of the SME coefficients is to calculate their effect on observable physical quantities, particularly those measureable to high precision. We have calculated the effect of the SME interactions on the energy levels of hydrogen. Starting from the field theory effective Lagrangian we have obtained the Hamiltonian of an SME-extended Dirac equation and have applied a Foldy-Wouthuysen expansion to obtain a non-relativistic effective Hamiltonian correct through terms quadratic in the momentum 3-vector. This Hamiltonian, at the order of interest, has the form H'=(Ai j+Bi j kσk)p^i p^j where Ai j and Bi j k are linear combinations of the SME parameters. We have evaluated the energy level corrections due to H', which are of order 2̂ times the SME coefficients. Constraints on the combinations of SME coefficients found in Ai j and Bi j k can be obtained by comparison with experimental results.
Spectrum and energy levels of five-times ionized zirconium (Zr VI)
NASA Astrophysics Data System (ADS)
Reader, Joseph; Lindsay, Mark D.
2016-02-01
We carried out a new analysis of the spectrum of five-times-ionized zirconium Zr VI. For this we used sliding-spark discharges together with normal- and grazing-incidence spectrographs to observe the spectrum from 160 to 2000 Å. These observations showed that the analysis of this spectrum by Khan et al (1985 Phys. Scr. 31 837) contained a significant number of incorrect energy levels. We have now classified ˜420 lines as transitions between 23 even-parity levels 73 odd-parity levels. The 4s24p5, 4s4p6, 4s24p44d, 5s, 5d, 6s configurations are now complete, although a few levels of 4s24p45d are tentative. We determined Ritz-type wavelengths for ˜135 lines from the optimized energy levels. The uncertainties range from 0.0003 to 0.0020 Å. Hartree-Fock calculations and least-squares fits of the energy parameters to the observed levels were used to interpret the observed configurations. Oscillator strengths for all classified lines were calculated with the fitted parameters. The results are compared with values for the level energies, percentage compositions, and transition probabilities from recent ab initio theoretical calculations. The ionization energy was revised to 777 380 ± 300 cm-1 (96.38 ± 0.04 eV).
NASA Astrophysics Data System (ADS)
Zhou, Kaining; Feng, Zhongshan; Shen, Jun; Wu, Bing; Luo, Xiaobing; Jiang, Sha; Li, Li; Zhou, Xianju
2016-04-01
High resolution spectra and luminescent lifetimes of 6 europium(III)-cinnamic acid complex {[Eu2L6(DMF)(H2O)]·nDMF·H2O}m (L = cinnamic acid I, 4-methyl-cinnamic acid II, 4-chloro-cinnamic acid III, 4-methoxy-cinnamic acid IV, 4-hydroxy-cinnamic acid V, 4-nitro-cinnamic acid VI; DMF = N, N-dimethylformamide, C3H7NO) were recorded from 8 K to room temperature. The energy levels of Eu3 + in these 6 complexes are obtained from the spectra analysis. It is found that the energy levels of the central Eu3 + ions are influenced by the nephelauxetic effect, while the triplet state of ligand is lowered by the p-π conjugation effect of the para-substituted functional groups. The best energy matching between the ligand triplet state and the central ion excited state is found in complex I. While the other complexes show poorer matching because the gap of 5D0 and triplet state contracts.
Energy levels, radiative rates, and lifetimes for transitions in W LVIII
Aggarwal, Kanti M. Keenan, Francis P.
2014-11-15
Energy levels and radiative rates are reported for transitions in Cl-like W LVIII. Configuration interaction (CI) has been included among 44 configurations (generating 4978 levels) over a wide energy range up to 363 Ryd, and the general-purpose relativistic atomic structure package (GRASP) adopted for the calculations. Since no other results of comparable complexity are available, calculations have also been performed with the flexible atomic code (FAC), which help in assessing the accuracy of our results. Energies are listed for the lowest 400 levels (with energies up to ∼98 Ryd), which mainly belong to the 3s{sup 2}3p{sup 5}, 3s3p{sup 6}, 3s{sup 2}3p{sup 4}3d, 3s{sup 2}3p{sup 3}3d{sup 2}, 3s3p{sup 4}3d{sup 2}, 3s{sup 2}3p{sup 2}3d{sup 3}, and 3p{sup 6}3d configurations, and radiative rates are provided for four types of transitions, i.e. E1, E2, M1, and M2. Our energy levels are assessed to be accurate to better than 0.5%, whereas radiative rates (and lifetimes) should be accurate to better than 20% for a majority of the strong transitions.
A spectral-Lagrangian Boltzmann solver for a multi-energy level gas
Munafò, Alessandro; Haack, Jeffrey R.; Gamba, Irene M.; Magin, Thierry E.
2014-05-01
In this paper a spectral-Lagrangian method is proposed for the full, non-linear Boltzmann equation for a multi-energy level gas typical of a hypersonic re-entry flow. Internal energy levels are treated as separate species and inelastic collisions (leading to internal energy excitation and relaxation) are accounted for. The formulation developed can also be used for the case of a gas mixture made of monatomic gases without internal energy (where only elastic collisions occur). The advantage of the spectral-Lagrangian method lies in the generality of the algorithm in use for the evaluation of the elastic and inelastic collision operators, as well as the conservation of mass, momentum and energy during collisions. The latter is realized through the solution of constrained optimization problems. The computational procedure is based on the Fourier transform of the partial elastic and inelastic collision operators and exploits the fact that these can be written as weighted convolutions in Fourier space with no restriction on the cross-section model. The feasibility of the proposed approach is demonstrated through numerical examples for both space homogeneous and in-homogeneous problems. Computational results are compared with those obtained by means of the DSMC method in order to assess the accuracy of the proposed spectral-Lagrangian method.
NASA Astrophysics Data System (ADS)
Schlesinger, R.; Bianchi, F.; Blumstengel, S.; Christodoulou, C.; Ovsyannikov, R.; Kobin, B.; Moudgil, K.; Barlow, S.; Hecht, S.; Marder, S. R.; Henneberger, F.; Koch, N.
2015-04-01
The fundamental limits of inorganic semiconductors for light emitting applications, such as holographic displays, biomedical imaging and ultrafast data processing and communication, might be overcome by hybridization with their organic counterparts, which feature enhanced frequency response and colour range. Innovative hybrid inorganic/organic structures exploit efficient electrical injection and high excitation density of inorganic semiconductors and subsequent energy transfer to the organic semiconductor, provided that the radiative emission yield is high. An inherent obstacle to that end is the unfavourable energy level offset at hybrid inorganic/organic structures, which rather facilitates charge transfer that quenches light emission. Here, we introduce a technologically relevant method to optimize the hybrid structure's energy levels, here comprising ZnO and a tailored ladder-type oligophenylene. The ZnO work function is substantially lowered with an organometallic donor monolayer, aligning the frontier levels of the inorganic and organic semiconductors. This increases the hybrid structure's radiative emission yield sevenfold, validating the relevance of our approach.
Energy levels, radiative rates and electron impact excitation rates for transitions in C III
NASA Astrophysics Data System (ADS)
Aggarwal, Kanti M.; Keenan, Francis P.
2015-06-01
We report energy levels, radiative rates (A-values) and lifetimes for the astrophysically important Be-like ion C III. For the calculations, 166 levels belonging to the n ≤ 5 configurations are considered and the GRASP (General-purpose Relativistic Atomic Structure Package) is adopted. Einstein A-coefficients are provided for all E1, E2, M1 and M2 transitions, while lifetimes are compared with available measurements as well as theoretical results, and no large discrepancies noted. Our energy levels are assessed to be accurate to better than 1 per cent for a majority of levels, and A-values to better than 20 per cent for most transitions. Collision strengths are also calculated, for which the Dirac Atomic R-matrix Code (DARC) is used. A wide energy range, up to 21 Ryd, is considered and resonances resolved in a fine energy mesh in the thresholds region. The collision strengths are subsequently averaged over a Maxwellian velocity distribution to determine effective collision strengths up to a temperature of 8.0 × 105 K, sufficient for most astrophysical applications. Our data are compared with the recent R-matrix calculations of Fernández-Menchero et al., and significant differences (up to over an order of magnitude) are noted for several transitions over the complete temperature range of the results.
A new classification of the amino acid side chains based on doublet acceptor energy levels.
Sneddon, S F; Morgan, R S; Brooks, C L
1988-01-01
We describe a new classification of the amino acid side chains based on the potential energy level at which each will accept an extra (doublet) electron. The doublet acceptor energy level, and the doublet acceptor orbital were calculated using semiempirical INDO/2-UHF molecular orbital theory. The results of these calculations show that the side chains fall into four groups. We have termed these groups repulsive, insulating, semiconducting, and attractive in accordance with where each lies on the relative energy scale. We use this classification to examine the role of residues between the donor and acceptor in modulating the rate and mechanism of electron transfer in proteins. With the calculated acceptor levels, we construct a potential barrier for those residues between the donor and acceptor. It is the area beneath this barrier that determines the decay of electronic coupling between donor and acceptor, and thus the transfer rate. We have used this schematic approach to characterize the four electron transfer pathways in myoglobin recently studied by Mayo et al. (Mayo, S.L., W.R. Ellis, R.J. Crutchley, and H.B. Gray. 1986. Science [Wash. DC]. 233:948-952). PMID:3342271
THE SPECTRUM OF THORIUM FROM 250 nm TO 5500 nm: RITZ WAVELENGTHS AND OPTIMIZED ENERGY LEVELS
Redman, Stephen L.; Nave, Gillian; Sansonetti, Craig J.
2014-03-01
We have made precise observations of a thorium-argon hollow cathode lamp emission spectrum in the region between 350 nm and 1175 nm using a high-resolution Fourier transform spectrometer. Our measurements are combined with results from seven previously published thorium line lists to re-optimize the energy levels of neutral, singly, and doubly ionized thorium (Th I, Th II, and Th III). Using the optimized level values, we calculate accurate Ritz wavelengths for 19, 874 thorium lines between 250 nm and 5500 nm (40, 000 cm{sup –1} to 1800 cm{sup –1}). We have also found 102 new thorium energy levels. A systematic analysis of previous measurements in light of our new results allows us to identify and propose corrections for systematic errors in Palmer and Engleman and typographical errors and incorrect classifications in Kerber et al. We also found a large scatter with respect to the thorium line list of Lovis and Pepe. We anticipate that our Ritz wavelengths will lead to improved measurement accuracy for current and future spectrographs that make use of thorium-argon or thorium-neon lamps as calibration standards.
NASA Technical Reports Server (NTRS)
2004-01-01
[figure removed for brevity, see original site] Figure 1 [figure removed for brevity, see original site] Figure 2 Click for larger view
These two graphics are planning tools used by Mars Exploration Rover engineers to plot and scheme the perfect location to place the rock abrasion tool on the rock collection dubbed 'El Capitan' near Opportunity's landing site. 'El Capitan' is located within a larger outcrop nicknamed 'Opportunity Ledge.'
The rover visualization team from NASA Ames Research Center, Moffett Field, Calif., initiated the graphics by putting two panoramic camera images of the 'El Capitan' area into their three-dimensional model. The rock abrasion tool team from Honeybee Robotics then used the visualization tool to help target and orient their instrument on the safest and most scientifically interesting locations. The blue circle represents one of two current targets of interest, chosen because of its size, lack of dust, and most of all its distinct and intriguing geologic features. To see the second target location, see the image titled 'Plotting and Scheming.'
The rock abrasion tool is sensitive to the shape and texture of a rock, and must safely sit within the 'footprint' indicated by the blue circles. The rock area must be large enough to fit the contact sensor and grounding mechanism within the area of the outer blue circle, and the rock must be smooth enough to get an even grind within the abrasion area of the inner blue circle. If the rock abrasion tool were not grounded by its support mechanism or if the surface were uneven, it could 'run away' from its target. The rock abrasion tool is location on the rover's instrument deployment device, or arm.
Over the next few martian days, or sols, the rover team will use these and newer, similar graphics created with more recent, higher-resolution panoramic camera images and super-spectral data from the miniature thermal emission spectrometer. These data will be used to pick the best
Hampshire Probation Sports Counselling Scheme.
ERIC Educational Resources Information Center
Waldman, Keith
A sports counseling scheme for young people on criminal probation in Hampshire (England) was developed in the 1980s as a partnership between the Sports Council and the Probation Service. The scheme aims to encourage offenders, aged 14 and up, to make constructive use of their leisure time; to allow participants the opportunity to have positive…
SPECTRUM AND ENERGY LEVELS OF Pr{sup 3+} IN ThBr{sub 4}
Conway, J. G.; Krupa, J. C.; Delamoye, P.; Genet, M.
1980-06-01
The strong features in the absorption spectrum and the laser excited fluorescence spectrum have been interpreted as arising from levels of Pr{sup 3+} in the D{sub 2d} symmetry site of ThBr{sub 4} . 43 energy levels have been fitted to the parameters with an RMS deviation of 61 cm{sup -1}. The values of the crystal field parameters are. B{sub 0}{sup 2} = 260.0 cm {sup -1}, B{sub 0}{sup 4} = - 644.2 cm{sup -1}, B{sub 4}{sup 4} = 929.2 cm{sup -1}, B{sub 0}{sup 6} = 1089.0 cm{sup -1} and B{sub 4}{sup 6} = 240.6 cm{sup -1}. The presence of other crystal symmetry sites is observed.
Energy level alignment at the methylammonium lead iodide/copper phthalocyanine interface
Chen, Shi; Goh, Teck Wee; Sum, Tze Chien E-mail: Tzechien@ntu.edu.sg; Sabba, Dharani; Chua, Julianto; Mathews, Nripan; Huan, Cheng Hon Alfred E-mail: Tzechien@ntu.edu.sg
2014-08-01
The energy level alignment at the CH{sub 3}NH{sub 3}PbI{sub 3}/copper phthalocyanine (CuPc) interface is investigated by X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS). XPS reveal a 0.3 eV downward band bending in the CuPc film. UPS validate this finding and further reveal negligible interfacial dipole formation – verifying the viability of vacuum level alignment. The highest occupied molecular orbital of CuPc is found to be closer to the Fermi level than the valance band maximum of CH{sub 3}NH{sub 3}PbI{sub 3}, facilitating hole transfer from CH{sub 3}NH{sub 3}PbI{sub 3} to CuPc. However, subsequent hole extraction from CuPc may be impeded by the downward band bending in the CuPc layer.
Impurity effects on energy levels and far-infrared spectra of nanorings
NASA Astrophysics Data System (ADS)
Hui, Pan; Jia-Lin, Zhu
2003-11-01
The effects of a positively charged impurity on the energy levels and far-infrared spectra of one and two electrons in semiconductor nanorings under magnetic fields are studied. The effects of the nanoring size and the impurity position are also discussed. It is shown that the electron-electron interaction and electron-impurity one in nanorings are strongly dependent on the nanoring size and the impurity position. Based on the studies of the impurity and field effects, the impurity-induced Aharonov-Bohm oscillations of the far-infrared spectra are found. The results predict a possibility of observing phenomena related to electron-impurity interaction in a nanoring in the future.
NASA Astrophysics Data System (ADS)
Gobbi, M.; Pietrobon, L.; Atxabal, A.; Bedoya-Pinto, A.; Sun, X.; Golmar, F.; Llopis, R.; Casanova, F.; Hueso, L. E.
2014-06-01
The energetics of metal/molecular semiconductor interfaces plays a fundamental role in organic electronics, determining the performance of very diverse devices. So far, information about the energy level alignment has been most commonly gained by spectroscopy techniques that typically require experimental conditions far from the real device operation. Here we demonstrate that a simple three-terminal device allows the acquisition of spectroscopic information about the metal/molecule energy alignment in real operative condition. As a proof of principle, we employ the proposed device to measure the energy barrier height between different clean metals and C60 molecules and we recover typical results from photoemission spectroscopy. The device is designed to inject a hot electron current directly into the molecular level devoted to charge transport, disentangling the contributions of both the interface and the bulk to the device total resistance, with important implications for spintronics and low-temperature physics.
Wave energy level and geographic setting correlate with Florida beach water quality.
Feng, Zhixuan; Reniers, Ad; Haus, Brian K; Solo-Gabriele, Helena M; Kelly, Elizabeth A
2016-03-15
Many recreational beaches suffer from elevated levels of microorganisms, resulting in beach advisories and closures due to lack of compliance with Environmental Protection Agency guidelines. We conducted the first statewide beach water quality assessment by analyzing decadal records of fecal indicator bacteria (enterococci and fecal coliform) levels at 262 Florida beaches. The objectives were to depict synoptic patterns of beach water quality exceedance along the entire Florida shoreline and to evaluate their relationships with wave condition and geographic location. Percent exceedances based on enterococci and fecal coliform were negatively correlated with both long-term mean wave energy and beach slope. Also, Gulf of Mexico beaches exceeded the thresholds significantly more than Atlantic Ocean ones, perhaps partially due to the lower wave energy. A possible linkage between wave energy level and water quality is beach sand, a pervasive nonpoint source that tends to harbor more bacteria in the low-wave-energy environment. PMID:26892203
Accuracy of analytic energy level formulas applied to hadronic spectroscopy of heavy mesons
NASA Technical Reports Server (NTRS)
Badavi, Forooz F.; Norbury, John W.; Wilson, John W.; Townsend, Lawrence W.
1988-01-01
Linear and harmonic potential models are used in the nonrelativistic Schroedinger equation to obtain article mass spectra for mesons as bound states of quarks. The main emphasis is on the linear potential where exact solutions of the S-state eigenvalues and eigenfunctions and the asymptotic solution for the higher order partial wave are obtained. A study of the accuracy of two analytical energy level formulas as applied to heavy mesons is also included. Cornwall's formula is found to be particularly accurate and useful as a predictor of heavy quarkonium states. Exact solution for all partial waves of eigenvalues and eigenfunctions for a harmonic potential is also obtained and compared with the calculated discrete spectra of the linear potential. Detailed derivations of the eigenvalues and eigenfunctions of the linear and harmonic potentials are presented in appendixes.
Organic semiconductor density of states controls the energy level alignment at electrode interfaces
Oehzelt, Martin; Koch, Norbert; Heimel, Georg
2014-01-01
Minimizing charge carrier injection barriers and extraction losses at interfaces between organic semiconductors and metallic electrodes is critical for optimizing the performance of organic (opto-) electronic devices. Here, we implement a detailed electrostatic model, capable of reproducing the alignment between the electrode Fermi energy and the transport states in the organic semiconductor both qualitatively and quantitatively. Covering the full phenomenological range of interfacial energy level alignment regimes within a single, consistent framework and continuously connecting the limiting cases described by previously proposed models allows us to resolve conflicting views in the literature. Our results highlight the density of states in the organic semiconductor as a key factor. Its shape and, in particular, the energy distribution of electronic states tailing into the fundamental gap is found to determine both the minimum value of practically achievable injection barriers as well as their spatial profile, ranging from abrupt interface dipoles to extended band-bending regions. PMID:24938867
Energy level alignment at the methylammonium lead iodide/copper phthalocyanine interface
NASA Astrophysics Data System (ADS)
Chen, Shi; Goh, Teck Wee; Sabba, Dharani; Chua, Julianto; Mathews, Nripan; Huan, Cheng Hon Alfred; Sum, Tze Chien
2014-08-01
The energy level alignment at the CH3NH3PbI3/copper phthalocyanine (CuPc) interface is investigated by X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS). XPS reveal a 0.3 eV downward band bending in the CuPc film. UPS validate this finding and further reveal negligible interfacial dipole formation - verifying the viability of vacuum level alignment. The highest occupied molecular orbital of CuPc is found to be closer to the Fermi level than the valance band maximum of CH3NH3PbI3, facilitating hole transfer from CH3NH3PbI3 to CuPc. However, subsequent hole extraction from CuPc may be impeded by the downward band bending in the CuPc layer.
Gobbi, M; Pietrobon, L; Atxabal, A; Bedoya-Pinto, A; Sun, X; Golmar, F; Llopis, R; Casanova, F; Hueso, L E
2014-01-01
The energetics of metal/molecular semiconductor interfaces plays a fundamental role in organic electronics, determining the performance of very diverse devices. So far, information about the energy level alignment has been most commonly gained by spectroscopy techniques that typically require experimental conditions far from the real device operation. Here we demonstrate that a simple three-terminal device allows the acquisition of spectroscopic information about the metal/molecule energy alignment in real operative condition. As a proof of principle, we employ the proposed device to measure the energy barrier height between different clean metals and C60 molecules and we recover typical results from photoemission spectroscopy. The device is designed to inject a hot electron current directly into the molecular level devoted to charge transport, disentangling the contributions of both the interface and the bulk to the device total resistance, with important implications for spintronics and low-temperature physics. PMID:24946715
Energy levels and spectral lines in the X-ray spectra of highly charged W XLIV
NASA Astrophysics Data System (ADS)
Hao, Liang-Huan; Kang, Xiao-Ping
2014-07-01
The multi-configuration Dirac-Hartree-Fock method is employed to calculate the fine-structure energy levels, wavelengths, transition probabilities, and oscillator strengths for electric dipole allowed (E1) and forbidden (M1, E2, M2) lines for the 4 s 24 p and 4 s4 p 2 configurations of W XLIV. The valence-valence and core-valence correlation effects are accounted for in a systematic way. Breit interactions and quantum electrodynamics (QED) effects are estimated in subsequent relativistic configuration interaction (CI) calculations. The present results are in good agreement with other available theoretical and experimental values, and we predict new data for several levels where no other theoretical and/or experimental results are available, precise measurements are clearly needed here.
Multiphoton transitions between energy levels in a current-biased Josephson tunnel junction.
Wallraff, A; Duty, T; Lukashenko, A; Ustinov, A V
2003-01-24
The escape of a current-biased Josephson tunnel junction from the zero-voltage state in the presence of weak microwave radiation is investigated experimentally at low temperatures. The measurements of the junction switching current distribution indicate the macroscopic quantum tunneling of the phase below a crossover temperature of T small star, filled approximately 280 mK. At temperatures below T small star, filled we observe both single-photon and multiphoton transitions between the junction energy levels by applying microwave radiation in the frequency range between 10 and 38 GHz to the junction. These observations reflect the anharmonicity of the junction potential containing only a small number of levels. PMID:12570519
Spectrum and energy levels of the sodiumlike ion Sr/sup 27+/
Reader, J.
1986-06-01
The spectrum of Sr/sup 27+/ was observed with a laser-produced plasma and a 2.2-m grazing-incidence spectrograph in the region 12--160 A-circle. From the identification of 37 lines, a system of 27 energy levels of the type 2p-italic/sup 6/n-italicl-italic was determined. The level system includes the configurations n-italics-italic(n-italic = 3-5), n-italicp-italic(n-italic = 3-6), n-italicd-italic(n-italic = 3-7), n-italicf-italic(n-italic = 4-6), and 5g-italic. The ionization energy is determined as 11 188200 +- 1000 cm/sup -1/ (1387.16 +- 0.12 eV).
Energy levels and radiative rates for Cr-like Cu VI and Zn VII
NASA Astrophysics Data System (ADS)
Aggarwal, K. M.; Bogdanovich, P.; Keenan, F. P.; Kisielius, R.
2016-09-01
Energy levels and radiative rates (A-values) for transitions in Cr-like Cu VI and Zn VII are reported. These data are determined in the quasi-relativistic approach (QR), by employing a very large configuration interaction (CI) expansion which is highly important for these ions. No radiative rates are available in the literature to compare with our results, but our calculated energies are in close agreement with those compiled by NIST and other available theoretical data, for a majority of the levels. The A-values (and resultant lifetimes) are listed for all significantly contributing E1, E2 and M1 radiative transitions among the energetically lowest 322 levels of each ion.
S-matrix Calculations of Energy Levels of the Lithium Isoelectronic Sequence
sapirstein, J; Cheng, K T
2010-11-02
A QED approach to the calculation of the spectra of the lithium isoelectronic sequence is implemented. A modified Furry representation based on the Kohn-Sham potential is used to evaluate all one- and two-photon diagrams with the exception of the two-loop Lamb shift. Three-photon diagrams are estimated with Hamiltonian methods. After incorporating recent calculations of the two-loop Lamb shift and recoil corrections a comprehensive tabulation of the 2s, 2p{sub 1/2} and 2p{sub 3/2} energy levels as well as the 2s - 2p{sub 1/2} and 2s - 2p{sub 3/2} transition energies for Z = 10 - 100 is presented.
Energy levels and radiative rates for transitions in Cr-like Co IV and Ni V
NASA Astrophysics Data System (ADS)
Aggarwal, K. M.; Bogdanovich, P.; Karpuškienė, R.; Keenan, F. P.; Kisielius, R.; Stancalie, V.
2016-01-01
We report calculations of energy levels and radiative rates (A-values) for transitions in Cr-like Co IV and Ni V. The quasi-relativistic Hartree-Fock (QRHF) code is adopted for calculating the data although GRASP (general-purpose relativistic atomic structure package) and flexible atomic code (FAC) have also been employed for comparison purposes. No radiative rates are available in the literature to compare with our results, but our calculated energies are in close agreement with those compiled by NIST for a majority of the levels. However, there are discrepancies for a few levels of up to 3%. The A-values are listed for all significantly contributing E1, E2 and M1 transitions, and the corresponding lifetimes reported, although unfortunately no previous theoretical or experimental results exist to compare with our data.
Calculation of energy levels and transition amplitudes for barium and radium.
Dzuba, V. A.; Flambaum, V. V.; Physics; Univ. of New South Wales
2007-01-01
The radium atom is a promising system for studying parity and time invariance violating weak interactions. However, available experimental spectroscopic data for radium are insufficient for designing an optimal experimental setup. We calculate the energy levels and transition amplitudes for radium states of significant interest. Forty states corresponding to all possible configurations consisting of the 7s, 7p and 6d single-electron states as well as the states of the 7s8s, 7s8p and 7s7d configurations have been calculated. The energies of ten of these states corresponding to the 6d{sup 2}, 7s8s, 7p{sup 2} and 6d7p configurations are not known from experiment. Calculations for barium are used to control the accuracy.
Energy levels and radiative transition rates for Ge XXXI, As XXXII, and Se XXXIII
Aggarwal, Sunny Singh, J.; Jha, A.K.S.; Mohan, Man
2014-07-15
Fine-structure energies of the 67 levels belonging to the 1s{sup 2}, 1s 2l, 1s3l, 1s4l, 1s5l, and 1s6l configurations of Ge XXXI, As XXXII, and Se XXXIII have been calculated using the General-Purpose Relativistic Atomic Structure Package. In addition, radiative rates, oscillator strengths, transition wavelengths, and line strengths have been calculated for all electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions among these levels. Lifetimes are also presented for all excited levels of these three ions. We have compared our results with the results available in the literature and the accuracy of the data is assessed. We predict new energy levels, oscillator strengths, and transition probabilities where no other theoretical or experimental results are available, which will form the basis for future experimental work.
Energy levels and transition rates for helium-like ions with Z = 10-36
NASA Astrophysics Data System (ADS)
Si, R.; Guo, X. L.; Wang, K.; Li, S.; Yan, J.; Chen, C. Y.; Brage, T.; Zou, Y. M.
2016-08-01
Aims: Helium-like ions provide an important X-ray spectral diagnostics in astrophysical and high-temperature fusion plasmas. An interpretation of the observed spectra provides information on temperature, density, and chemical compositions of the plasma. Such an analysis requires information for a wide range of atomic parameters, including energy levels and transition rates. Our aim is to provide a set of accurate energy levels and transition rates for helium-like ions with Z = 10-36. Methods: The second-order many-body perturbation theory (MBPT) was adopted in this paper. To support our MBPT results, we performed an independent calculation using the multiconfiguration Dirac-Hartree-Fock (MCDHF) method. Results: We provide accurate energies for the lowest singly excited 70 levels among 1snl(n ≤ 6,l ≤ (n-1)) configurations and the lowest doubly excited 250 levels arising from the K-vacancy 2ln'l'(n' ≤ 6,l' ≤ (n'-1)) configurations of helium-like ions with Z = 10-36. Wavelengths, transition rates, oscillator strengths, and line strengths are calculated for the E1, M1, E2, and M2 transitions among these levels. The radiative lifetimes are reported for all the calculated levels. Conclusions: Our MBPT results for singly excited n ≤ 2 levels show excellent agreement with other elaborate calculations, while those for singly excited n ≥ 3 and doubly excited levels show significant improvements over previous theoretical results. Our results will be very helpful for astrophysical line identification and plasma diagnostics. Full Tables 1 and 2 are only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/592/A141
First-Principles Approach to Energy Level Alignment at Aqueous Semiconductor Interfaces
NASA Astrophysics Data System (ADS)
Hybertsen, Mark
2015-03-01
We have developed a first principles method to calculate the energy level alignment between semiconductor band edges and reference energy levels at aqueous interfaces. This alignment is fundamental to understand the electrochemical characteristics of any semiconductor electrode in general and the potential for photocatalytic activity in particular. For example, in the search for new photo-catalytic materials, viable candidates must demonstrate both efficient absorption of the solar spectrum and an appropriate alignment of the band edge levels in the semiconductor to the redox levels for the target reactions. In our approach, the interface-specific contribution to the electrostatic step across the interface is evaluated using density functional theory (DFT) based molecular dynamics to sample the physical interface structure and the corresponding change in the electrostatic potential at the interface. The reference electronic levels in the semiconductor and in the water are calculated using the GW approach, which naturally corrects for errors inherent in the use of Kohn-Sham energy eigenvalues to approximate the electronic excitation energies in each material. Taken together, our calculations provide the alignment of the semiconductor valence band edge to the centroid of the highest occupied 1b1 level in water. The known relationship of the 1b1 level to the normal hydrogen electrode completes the connection to electrochemical levels. We discuss specific results for GaN, ZnO, and TiO2. The effect of interface structural motifs, such as different degrees of water dissociation, and of dynamical characteristics, will be presented together with available experimental data. Work supported by the US Department of Energy, Office of Basic Energy Sciences under Contract No. DE-AC02-98CH10886.
Energy levels, radiative rates, and lifetimes for transitions in W XL
Aggarwal, Kanti M. Keenan, Francis P.
2014-11-15
Energy levels and radiative rates are reported for transitions in Br-like tungsten, W XL, calculated with the general-purpose relativistic atomic structure package (GRASP). Configuration interaction (CI) has been included among 46 configurations (generating 4215 levels) over a wide energy range up to 213 Ryd. However, for conciseness results are only listed for the lowest 360 levels (with energies up to ∼43 Ryd), which mainly belong to the 4s{sup 2}4p{sup 5},4s{sup 2}4p{sup 4}4d,4s{sup 2}4p{sup 4}4f,4s4p{sup 6},4p{sup 6}4d,4s4p{sup 5}4d,4s{sup 2}4p{sup 3}4d{sup 2}, and 4s{sup 2}4p{sup 3}4d4f configurations, and provided for four types of transitions, E1, E2, M1, and M2. Comparisons are made with existing (but limited) results. However, to fully assess the accuracy of our data, analogous calculations have been performed with the flexible atomic code, including an even larger CI than in GRASP. Our energy levels are estimated to be accurate to better than 0.02 Ryd, whereas results for radiative rates (and lifetimes) should be accurate to better than 20% for a majority of the strong transitions.
Energy levels and transition rates for the boron isoelectronic sequence: Si X, Ti XVIII - Cu XXV
NASA Astrophysics Data System (ADS)
Jönsson, P.; Ekman, J.; Gustafsson, S.; Hartman, H.; Karlsson, L. B.; du Rietz, R.; Gaigalas, G.; Godefroid, M. R.; Froese Fischer, C.
2013-11-01
Relativistic configuration interaction (RCI) calculations are performed for 291 states belonging to the configurations 1s22s22p, 1s22s2p2, 1s22p3, 1s22s23l, 1s22s2p3l, 1s22p23l, 1s22s24l', 1s22s2p4l', and 1s22p24l' (l = 0,1,2 and l' = 0,1,2,3) in boron-like ions Si X and Ti XVIII to Cu XXV. Electron correlation effects are represented in the wave functions by large configuration state function (CSF) expansions. States are transformed from jj-coupling to LS-coupling, and the LS-percentage compositions are used for labeling the levels. Radiative electric dipole transition rates are given for all ions, leading to massive data sets. Calculated energy levels are compared with other theoretical predictions and crosschecked against the Chianti database, NIST recommended values, and other observations. The accuracy of the calculations are high enough to facilitate the identification of observed spectral lines. Research supported in part by the Swedish Research council and the Swedish Institute. Part of this work was supported by the Communauté française of Belgium, the Belgian National Fund for Scientific Research (FRFC/IISN Convention) and by the IUAP-Belgian State Science Policy (BriX network P7/12).Tables of energy levels and transition rates (Tables 3-19) are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/559/A100
2015-01-01
A key quantity for molecule–metal interfaces is the energy level alignment of molecular electronic states with the metallic Fermi level. We develop and apply an efficient theoretical method, based on density functional theory (DFT) that can yield quantitatively accurate energy level alignment information for physisorbed metal–molecule interfaces. The method builds on the “DFT+Σ” approach, grounded in many-body perturbation theory, which introduces an approximate electron self-energy that corrects the level alignment obtained from conventional DFT for missing exchange and correlation effects associated with the gas-phase molecule and substrate polarization. Here, we extend the DFT+Σ approach in two important ways: first, we employ optimally tuned range-separated hybrid functionals to compute the gas-phase term, rather than rely on GW or total energy differences as in prior work; second, we use a nonclassical DFT-determined image-charge plane of the metallic surface to compute the substrate polarization term, rather than the classical DFT-derived image plane used previously. We validate this new approach by a detailed comparison with experimental and theoretical reference data for several prototypical molecule–metal interfaces, where excellent agreement with experiment is achieved: benzene on graphite (0001), and 1,4-benzenediamine, Cu-phthalocyanine, and 3,4,9,10-perylene-tetracarboxylic-dianhydride on Au(111). In particular, we show that the method correctly captures level alignment trends across chemical systems and that it retains its accuracy even for molecules for which conventional DFT suffers from severe self-interaction errors. PMID:25741626
In-source resonance ionization spectroscopy of high lying energy levels in atomic uranium
NASA Astrophysics Data System (ADS)
Raeder, Sebastian; Fies, Silke; Gottwald, Tina; Mattolat, Christoph; Rothe, Sebastian; Wendt, Klaus
2010-02-01
In-source resonance ionization spectroscopy of uranium has been carried out as preparation for the analysis of low contaminations of nuclear material in environmental samples via laser mass spectrometry. Using three-step resonance ionization spectroscopy, 86 levels of odd parity in the energy range from 37,200-38,650 cm - 1 were studied, 51 of these levels were previously unknown. Suitable excitation schemes for analytic applications are discussed.
NASA Astrophysics Data System (ADS)
Wu, Jiin-chuan; Wang, Chi-Chang
1996-03-01
A frame change data driving scheme (FCDDS) for ferroelectric LCD(FLCD) of matrix- addressing is developed which uses only positive voltages for the row and column waveforms to achieve bipolar driving waveforms on the FLCD pixels. Thus the required supply voltage for the driver chips is half that of the conventional driving scheme. Each scan line is addressed in only twice the switching time (tau) (minimum response time of FLC) so that this scheme is suitable for high duty ratio panels. In order to meet this bistable electro-optic effect of FLCD and zero net dc voltage across each pixel of the liquid crystal, turning on and turning off pixels are done at different time slots and frame slots. This driving scheme can be easily implemented using commercially available STN LCD drivers plus a small external circuit or by making an ASIC which is a slight modification of the STN driver. Both methods are discussed.
Wavelengths, energy levels and hyperfine structure of Mn II and Sc II.
NASA Astrophysics Data System (ADS)
Nave, Gillian; Pickering, Juliet C.; Townley-Smith, Keeley I. M.; Hala, .
2015-08-01
For many decades, the Atomic Spectroscopy Groups at the National Institute of Standards and Technology (NIST) and Imperial College London (ICL) have measured atomic data of astronomical interest. Our spectrometers include Fourier transform (FT) spectrometers at NIST and ICL covering the region 1350 Å to 5.5 μm and a 10.7-m grating spectrometer at NIST covering wavelengths from 300 - 5000 Å. Sources for these spectra include high-current continuous and pulsed hollow cathode (HCL) lamps, Penning discharges, and sliding spark discharges. Recent work has focused on the measurement and analysis of wavelengths, energy levels, and hyperfine structure (HFS) constants for iron-group elements. The analysis of FT spectra of Cr I, Mn I, and Mn II is being led by ICL and is described in a companion poster [1]. Current work being led by NIST includes the analysis of HFS in Mn II, analysis of Mn II in the vacuum ultraviolet, and a comprehensive analysis of Sc II.Comprehensive HFS constants for Mn II are needed for the interpretation of stellar spectra and incorrect abundances may be obtained when HFS is omitted. Holt et al. [2] have measured HFS constants for 59 levels of Mn II using laser spectroscopy. We used FT spectra of Mn/Ni and Mn/Cu HCLs covering wavelength ranges from 1350 Å to 5.4 μm to confirm 26 of the A constants of Holt et al. and obtain values for roughly 40 additional levels. We aim to obtain HFS constants for the majority of lines showing significant HFS that are observed in chemically-peculiar stars.Spectra of Sc HCLs have been recorded from 1800 - 6700 Å using a vacuum ultraviolet FT spectrometer at NIST. Additional measurements to cover wavelengths above 6700 Å and below 1800 Å are in progress. The spectra are being analyzed by NIST and Alighar Muslim University, India in order to derive improved wavelengths, energy levels, and hyperfine structure parameters.This work was partially supported by NASA, the STFC and PPARC (UK), the Royal Society of the UK
On the marginal stability of upwind schemes
NASA Astrophysics Data System (ADS)
Gressier, J.; Moschetta, J.-M.
Following Quirk's analysis of Roe's scheme, general criteria are derived to predict the odd-even decoupling. This analysis is applied to Roe's scheme, EFM Pullin's scheme, EIM Macrossan's scheme and AUSM Liou's scheme. Strict stability is shown to be desirable to avoid most of these flaws. Finally, the link between marginal stability and accuracy on shear waves is established.
Relaxation schemes for Chebyshev spectral multigrid methods
NASA Technical Reports Server (NTRS)
Kang, Yimin; Fulton, Scott R.
1993-01-01
Two relaxation schemes for Chebyshev spectral multigrid methods are presented for elliptic equations with Dirichlet boundary conditions. The first scheme is a pointwise-preconditioned Richardson relaxation scheme and the second is a line relaxation scheme. The line relaxation scheme provides an efficient and relatively simple approach for solving two-dimensional spectral equations. Numerical examples and comparisons with other methods are given.
Energy levels, transition probabilities, and electron impact excitations for La XXX
Zhong, J.Y. . E-mail: jyzhong@aphy.iphy.ac.cn; Zhao, G.; Zhang, J.
2006-09-15
energy levels, spontaneous radiative decay rates, and electron impact collision strengths are calculated for La XXX. The data refer to 107 fine-structure levels belonging to the configurations (1s{sup 2}2s{sup 2}2p{sup 6})3s{sup 2}3p{sup 6}3d{sup 10}, 3s{sup 2}3p{sup 6}3d{sup 9}4l, 3s{sup 2}3p{sup 5}3d{sup 10}4l, and 3s3p{sup 6}3d{sup 10}4l (l = s, p, d, f). The collision strengths are calculated with a 20-collision-energy grid in terms of the energy of the scattered electron between 10 and 10,000 eV by using the distorted-wave approximation. Effective collision strengths are obtained at seven electron temperatures: T {sub e} (eV) = 10, 100, 300, 500, 800, 1000, and 1500 by integrating the collision strengths over a Maxwellian electron distribution. Coupled with these atomic data, a hydrodynamic code MED103 can be used to simulate the Ni-like La X-ray laser at 8.8 nm.
Energy levels fitting and crystal-field calculations of Nd3+ doped in GYSGG crystal
NASA Astrophysics Data System (ADS)
Gao, Jinyun; Zhang, Qingli; Sun, Dunlu; Luo, Jianqiao; Liu, Wenpeng; Yin, Shaotang
2012-10-01
The single crystal Nd3+-doped in GdY2Sc2Ga3O12 (Nd3+:GYSGG) was grown by Czochralski method successfully, and its absorption spectra was analyzed in a wider spectral wavelength range at 7.6 K and 300 K, respectively. The free-ions and crystal-field parameters were fitted to the experimental energy levels at 7.6 K and 300 K with the root mean square deviation of 11.25 and 12.48 cm-1, respectively. According to the crystal-field calculations, 116 levels of Nd3+ at 7.6 K and 114 levels of Nd3+ at 300 K were assigned. The fitting results of free-ions and crystal-field parameters were compared with those already reported of Nd3+:GSGG and Nd3+:YSAG. The results indicated that the free-ions parameters are similar to those of the Nd3+ in GYSGG, GSGG and YSAG crystals, and the crystal-field interaction of GSGG and YSAG is stronger than that of GYSGG, which results in the dual-wavelength properties of Nd3+:GYSGG crystal.
Optically switchable transistor via energy-level phototuning in a bicomponent organic semiconductor
NASA Astrophysics Data System (ADS)
Orgiu, Emanuele; Crivillers, Núria; Herder, Martin; Grubert, Lutz; Pätzel, Michael; Frisch, Johannes; Pavlica, Egon; Duong, Duc T.; Bratina, Gvido; Salleo, Alberto; Koch, Norbert; Hecht, Stefan; Samorì, Paolo
2012-08-01
Organic semiconductors are suitable candidates for printable, flexible and large-area electronics. Alongside attaining an improved device performance, to confer a multifunctional nature to the employed materials is key for organic-based logic applications. Here we report on the engineering of an electronic structure in a semiconducting film by blending two molecular components, a photochromic diarylethene derivative and a poly(3-hexylthiophene) (P3HT) matrix, to attain phototunable and bistable energy levels for the P3HT's hole transport. As a proof-of-concept we exploited this blend as a semiconducting material in organic thin-film transistors. The device illumination at defined wavelengths enabled reversible tuning of the diarylethene's electronic states in the blend, which resulted in modulation of the output current. The device photoresponse was found to be in the microsecond range, and thus on a technologically relevant timescale. This modular blending approach allows for the convenient incorporation of various molecular components, which opens up perspectives on multifunctional devices and logic circuits.
Interfacial energy level shifts in few-molecule clusters of the organic semiconductor PTCDA
NASA Astrophysics Data System (ADS)
Burke, Sarah; Cochrane, Katherine; Schiffrin, Agustin; Roussy, Tanya
2014-03-01
Detailed knowledge of the local electronic structure of organic semiconductors near interfaces is crucial for the understanding of a variety of electronic and optoelectronic applications of these emerging materials. However, organic molecules are highly sensitive to the local environment, which abruptly changes at an interface. Here, we present a study on the prototypical organic semiconductor PTCDA by scanning tunneling microscopy and spectroscopic mapping. Nanoscale clusters of varying size and geometry were probed on a bilayer NaCl film on Ag(111). The molecular states, while decoupled from the underlying metal surface, are relatively delocalized within these monolayer islands. Depending on the size of the cluster and arrangement of molecules within the cluster, edge molecules exhibit varying energy level shifts relative to the central molecules, both of which differ from the isolated molecule. For well ordered islands, this leads to a type-1 heterojunction, with a larger band gap at the edge of the cluster differing by as much as 0.5eV. In considering nanoscale structures within multicomponent device architectures, such internal heterostructures established by differences in the local environment are an important consideration, and could even be exploited.
Park, Rebecca Sejung; Shulaker, Max Marcel; Hills, Gage; Suriyasena Liyanage, Luckshitha; Lee, Seunghyun; Tang, Alvin; Mitra, Subhasish; Wong, H-S Philip
2016-04-26
We present a measurement technique, which we call the Pulsed Time-Domain Measurement, for characterizing hysteresis in carbon nanotube field-effect transistors, and demonstrate its applicability for a broad range of 1D and 2D nanomaterials beyond carbon nanotubes. The Pulsed Time-Domain Measurement enables the quantification (density, energy level, and spatial distribution) of charged traps responsible for hysteresis. A physics-based model of the charge trapping process for a carbon nanotube field-effect transistor is presented and experimentally validated using the Pulsed Time-Domain Measurement. Leveraging this model, we discover a source of traps (surface traps) unique to devices with low-dimensional channels such as carbon nanotubes and nanowires (beyond interface traps which exist in today's silicon field-effect transistors). The different charge trapping mechanisms for interface traps and surface traps are studied based on their temperature dependencies. Through these advances, we are able to quantify the interface trap density for carbon nanotube field-effect transistors (∼3 × 10(13) cm(-2) eV(-1) near midgap), and compare this against a range of previously studied dielectric/semiconductor interfaces. PMID:27002483
Energy levels distribution in supersaturated silicon with titanium for photovoltaic applications
Pérez, E. Castán, H.; García, H.; Dueñas, S.; Bailón, L.; Montero, D.; García-Hernansanz, R.; García-Hemme, E.; González-Díaz, G.; Olea, J.
2015-01-12
In the attempt to form an intermediate band in the bandgap of silicon substrates to give it the capability to absorb infrared radiation, we studied the deep levels in supersaturated silicon with titanium. The technique used to characterize the energy levels was the thermal admittance spectroscopy. Our experimental results showed that in samples with titanium concentration just under Mott limit there was a relationship among the activation energy value and the capture cross section value. This relationship obeys to the well known Meyer-Neldel rule, which typically appears in processes involving multiple excitations, like carrier capture/emission in deep levels, and it is generally observed in disordered systems. The obtained characteristic Meyer-Neldel parameters were Tmn = 176 K and kTmn = 15 meV. The energy value could be associated to the typical energy of the phonons in the substrate. The almost perfect adjust of all experimental data to the same straight line provides further evidence of the validity of the Meyer Neldel rule, and may contribute to obtain a deeper insight on the ultimate meaning of this phenomenon.
Intranasal Insulin Suppresses Food Intake via Enhancement of Brain Energy Levels in Humans
Jauch-Chara, Kamila; Friedrich, Alexia; Rezmer, Magdalena; Melchert, Uwe H.; G. Scholand-Engler, Harald; Hallschmid, Manfred; Oltmanns, Kerstin M.
2012-01-01
Cerebral insulin exerts anorexic effects in humans and animals. The underlying mechanisms, however, are not clear. Because insulin physiologically facilitates glucose uptake by most tissues of the body and thereby fosters intracellular energy supply, we hypothesized that intranasal insulin reduces food consumption via enhancement of the neuroenergetic level. In a double-blind, placebo–controlled, within-subject comparison, 15 healthy men (BMI 22.2 ± 0.37 kg/m2) aged 22–28 years were intranasally administered insulin (40 IU) or placebo after an overnight fast. Cerebral energy metabolism was assessed by 31P magnetic resonance spectroscopy. At 100 min after spray administration, participants consumed ad libitum from a test buffet. Our data show that intranasal insulin increases brain energy (i.e., adenosine triphosphate and phosphocreatine levels). Cerebral energy content correlates inversely with subsequent calorie intake in the control condition. Moreover, the neuroenergetic rise upon insulin administration correlates with the consecutive reduction in free-choice calorie consumption. Brain energy levels may therefore constitute a predictive value for food intake. Given that the brain synchronizes food intake behavior in dependence of its current energetic status, a future challenge in obesity treatment may be to therapeutically influence cerebral energy homeostasis. Intranasal insulin, after optimizing its application schema, seems a promising option in this regard. PMID:22586589
Electromagnetic Shifts of Energy Levels of a Hydrogen Atom in Idealized Cavities.
NASA Astrophysics Data System (ADS)
Burzan, Dragisa
Available from UMI in association with The British Library. Requires signed TDF. Energy level shifts are evaluated for the 2p-2s transition for a hydrogen atom in various confining geometries with idealized perfectly conducting metallic boundaries in all cases. The minimal coupling Hamiltonian formalism is employed in the non-relativistic approximation in the Coulomb gauge to calculate the level shifts. Bethe's work for the Lamb shift in free space for the hydrogen atom is used as the model for working out the transverse level shifts in the various confining geometries. The Stark effect arising from the interaction of an atom with its image in the metal is used to evaluate the longitudinal level shift. The analysis is carried out by first quantizing the electro-magnetic field in a general cavity after a discussion is presented in the introduction of the relation of this work to that of other authors on related topics. The theory is then developed in detail in the various special confining geometries starting with case of the parallelopiped and its limiting cases of two plates and one plate respectively. The confining geometries of a finite and infinite cylinder are considered next followed by that of sphere. Detailed numerical results are presented in each of the various special cases with graphs and tables after extensive computation. The conclusions of the thesis are summarized separately.
NASA Astrophysics Data System (ADS)
Császár, Attila G.; Furtenbacher, T.; Tennyson, Jonathan; Bernath, Peter F.; Brown, Linda R.; Campargue, Alain; Daumont, Ludovic; Gamache, Robert R.; Hodges, Joseph T.; Naumenko, Olga V.; Polyansky, Oleg L.; Rothman, Laurence S.; Vandaele, Ann Carine; Zobov, Nikolai F.
2014-06-01
The results of an IUPAC Task Group formed in 2004 on "A Database of Water Transitions from Experiment and Theory" (Project No. 2004-035-1-100) are presented. Energy levels and recommended labels involving exact and approximate quantum numbers for the main isotopologues of water in the gas phase, H216O, H218O, H217O, HD16O, HD18O, HD17O, D216O, D218O, and D217O, are determined from measured transition wavenumbers. The transition wavenumbers and energy levels are validated using the MARVEL (measured active rotational-vibrational energy levels) approach and first-principles nuclear motion computations. The extensive data, e.g., more than 200,000 transitions have been handled for H216O, including lines and levels that are required for analysis and synthesis of spectra, thermochemical applications, the construction of theoretical models, and the removal of spectral contamination by ubiquitous water lines. These datasets can also be used to assess where measurements are lacking for each isotopologue and to provide accurate frequencies for many yet-to-be measured transitions. The lack of high-quality frequency calibration standards in the near infrared is identified as an issue that has hindered the determination of high-accuracy energy levels at higher frequencies. The generation of spectra using the MARVEL energy levels combined with transition intensities computed using high accuracy ab initio dipole moment surfaces are discussed.
High resolution schemes for hyperbolic conservation laws
NASA Technical Reports Server (NTRS)
Harten, A.
1983-01-01
A class of new explicit second order accurate finite difference schemes for the computation of weak solutions of hyperbolic conservation laws is presented. These highly nonlinear schemes are obtained by applying a nonoscillatory first order accurate scheme to an appropriately modified flux function. The so-derived second order accurate schemes achieve high resolution while preserving the robustness of the original nonoscillatory first order accurate scheme. Numerical experiments are presented to demonstrate the performance of these new schemes.
Jiang, Weili; Lou, Bin; Wang, Jianqiang; Lv, Hongbin; Bian, Zuqiang; Huang, Chunhui
2011-11-21
A series of N^N,O^O-bridging ligands based on substituted 1-(pyridin-2-yl)-3-methyl-5-pyrazolone and their corresponding heteroleptic iridium(III) complexes as well as Ir-Eu bimetallic complexes were synthesized and fully characterized. The influence of the triplet energy levels of the bridging ligands on the energy transfer (ET) process from the Ir(III) complexes to Eu(III) ions in solution was investigated at 77 K in Ir(III)/Eu(III) dyads. Photophysical experiment results show the bridging ligands play an important role in the ET process. Only when the triplet energy level of the bridging ligand was lower than the triplet metal-to-ligand charge transfer ((3)MLCT) energy level of the Ir moiety, was pure emission from the Eu(III) ion observed, implying complete ET took place from the Ir moiety to the Eu(III) ion. PMID:21931913
Nonlinear secret image sharing scheme.
Shin, Sang-Ho; Lee, Gil-Je; Yoo, Kee-Young
2014-01-01
Over the past decade, most of secret image sharing schemes have been proposed by using Shamir's technique. It is based on a linear combination polynomial arithmetic. Although Shamir's technique based secret image sharing schemes are efficient and scalable for various environments, there exists a security threat such as Tompa-Woll attack. Renvall and Ding proposed a new secret sharing technique based on nonlinear combination polynomial arithmetic in order to solve this threat. It is hard to apply to the secret image sharing. In this paper, we propose a (t, n)-threshold nonlinear secret image sharing scheme with steganography concept. In order to achieve a suitable and secure secret image sharing scheme, we adapt a modified LSB embedding technique with XOR Boolean algebra operation, define a new variable m, and change a range of prime p in sharing procedure. In order to evaluate efficiency and security of proposed scheme, we use the embedding capacity and PSNR. As a result of it, average value of PSNR and embedding capacity are 44.78 (dB) and 1.74t⌈log2 m⌉ bit-per-pixel (bpp), respectively. PMID:25140334
Nonlinear Secret Image Sharing Scheme
Shin, Sang-Ho; Yoo, Kee-Young
2014-01-01
Over the past decade, most of secret image sharing schemes have been proposed by using Shamir's technique. It is based on a linear combination polynomial arithmetic. Although Shamir's technique based secret image sharing schemes are efficient and scalable for various environments, there exists a security threat such as Tompa-Woll attack. Renvall and Ding proposed a new secret sharing technique based on nonlinear combination polynomial arithmetic in order to solve this threat. It is hard to apply to the secret image sharing. In this paper, we propose a (t, n)-threshold nonlinear secret image sharing scheme with steganography concept. In order to achieve a suitable and secure secret image sharing scheme, we adapt a modified LSB embedding technique with XOR Boolean algebra operation, define a new variable m, and change a range of prime p in sharing procedure. In order to evaluate efficiency and security of proposed scheme, we use the embedding capacity and PSNR. As a result of it, average value of PSNR and embedding capacity are 44.78 (dB) and 1.74t⌈log2m⌉ bit-per-pixel (bpp), respectively. PMID:25140334
Energy partitioning schemes: a dilemma.
Mayer, I
2007-01-01
Two closely related energy partitioning schemes, in which the total energy is presented as a sum of atomic and diatomic contributions by using the "atomic decomposition of identity", are compared on the example of N,N-dimethylformamide, a simple but chemically rich molecule. Both schemes account for different intramolecular interactions, for instance they identify the weak C-H...O intramolecular interactions, but give completely different numbers. (The energy decomposition scheme based on the virial theorem is also considered.) The comparison of the two schemes resulted in a dilemma which is especially striking when these schemes are applied for molecules distorted from their equilibrium structures: one either gets numbers which are "on the chemical scale" and have quite appealing values at the equilibrium molecular geometries, but exhibiting a counter-intuitive distance dependence (the two-center energy components increase in absolute value with the increase of the interatomic distances)--or numbers with too large absolute values but "correct" distance behaviour. The problem is connected with the quick decay of the diatomic kinetic energy components. PMID:17328441
Energy levels, radiative rates and electron impact excitation rates for transitions in Si II
NASA Astrophysics Data System (ADS)
Aggarwal, Kanti M.; Keenan, Francis P.
2014-07-01
Energies for the lowest 56 levels, belonging to the 3s2 3p, 3s 3p2, 3p3, 3s2 3d, 3s 3p 3d, 3s2 4ℓ and 3s2 5ℓ configurations of Si II, are calculated using the General-purpose Relativistic Atomic Structure Package (GRASP) code. Analogous calculations have also been performed (for up to 175 levels) using the Flexible Atomic Code (FAC). Furthermore, radiative rates are calculated for all E1, E2, M1 and M2 transitions. Extensive comparisons are made with available theoretical and experimental energy levels, and the accuracy of the present results is assessed to be better than 0.1 Ryd. Similarly, the accuracy for radiative rates (and subsequently lifetimes) is estimated to be better than 20 per cent for most of the (strong) transitions. Electron impact excitation collision strengths are also calculated, with the Dirac Atomic R-matrix Code (DARC), over a wide energy range up to 13 Ryd. Finally, to determine effective collision strengths, resonances are resolved in a fine energy mesh in the thresholds region. These collision strengths are averaged over a Maxwellian velocity distribution and results listed over a wide range of temperatures, up to 105.5 K. Our data are compared with earlier R-matrix calculations and differences noted, up to a factor of 2, for several transitions. Although scope remains for improvement, the accuracy for our results of collision strengths and effective collision strengths is assessed to be about 20 per cent for a majority of transitions.
Energy transfer and energy level decay processes in Tm{sup 3+}-doped tellurite glass
Gomes, Laercio; Lousteau, Joris; Milanese, Daniel; Scarpignato, Gerardo C.; Jackson, Stuart D.
2012-03-15
The primary excited state decay and energy transfer processes in singly Tm{sup 3+}-doped TeO{sub 2}:ZnO:Bi{sub 2}O{sub 3}:GeO{sub 2} (TZBG) glass relating to the {sup 3}F{sub 4}{yields}{sup 3}H{sub 6}{approx}1.85 {mu}m laser transition have been investigated in detail using time-resolved fluorescence spectroscopy. Selective laser excitation of the {sup 3}H{sub 4} manifold at 794 nm, the {sup 3}H{sub 5} manifold at 1220 nm, and {sup 3}F{sub 4} manifold at 1760 nm has established that the {sup 3}H{sub 5} manifold is entirely quenched by multiphonon relaxation in tellurite glass. The luminescence from the {sup 3}H{sub 4} manifold with an emission peak at 1465 nm suffers strong suppression due to cross relaxation that populates the {sup 3}F{sub 4} level with a near quadratic dependence on the Tm{sup 3+} concentration. The {sup 3}F{sub 4} lifetime becomes longer as the Tm{sup 3+} concentration increases due to energy migration and decreases to 2.92 ms when [Tm{sup 3+}] = 4 mol. % as a result of quasi-resonant energy transfer to free OH{sup -} radicals present in the glass at concentrations between 1 x 10{sup 18} cm{sup -3} and 2 x 10{sup 18} cm{sup -3}. Judd-Ofelt theory in conjunction with absorption measurements were used to obtain the radiative lifetimes and branching ratios of the energy levels located below 25 000 cm{sup -1}. The spectroscopic parameters, the cross relaxation and Tm{sup 3+}({sup 3}F{sub 4}) {yields} OH{sup -} energy transfer rates were used in a numerical model for laser transitions emitting at 2335 nm and 1865 nm.
NASA Astrophysics Data System (ADS)
Hajra, Rajkumar; Tsurutani, Bruce; Echer, Ezequiel; Gonzalez, Walter
2015-04-01
Radiation belt relativistic (E > 0.6, > 2.0, and > 4.0 MeV) electron acceleration at geosynchronous orbit is studied for solar cycle 23 (1995-2008). High-intensity, long-duration, continuous AE activity (HILDCAA) events are considered as the basis of the analyses. Cluster-4 passes were examined for electromagnetic chorus waves in the 5 < L < 10 and 0 < MLT < 12 region. All the HILDCAA events under study were found to be characterized by enhanced whistler-mode chorus waves and flux enhancements of magnetospheric relativistic electrons of all three energies compared to the pre-event flux levels. The response of the energetic electrons to HILDCAAs was found to vary with solar cycle phase. The initial electron fluxes were lower for events occurring during the ascending and solar maximum (AMAX) phases than for events occurring during the descending and solar minimum (DMIN) phases. The flux increases for the DMIN-phase events were > 50% larger than for the AMAX-phase events. It is concluded that electrons are accelerated to relativistic energies most often and most efficiently during the DMIN-phases of the solar cycle. We propose two possible solar UV-related mechanisms to explain this solar cycle effect. Enhanced E > 0.6 MeV electron fluxes at geosynchronous orbit were first detected ~1 day after the statistical onset of HILDCAAs, E > 2.0 MeV electrons after ~1.5 days, and E > 4.0 MeV electrons after ~2.5 days. We estimated acceleration and decay rates and timescales for the three energy levels, which will be provided for wave-particle investigators to attempt to match their models to empirically derived values.
Wu, Huawei; Zhang, Qing; Hua, Jia; Hua, Xiaolan; Xu, Jianrong
2013-01-01
Background The aim of this study was to determine the optimal monochromatic spectral CT pulmonary angiography (sCTPA) levels to obtain the highest image quality and diagnostic confidence for pulmonary embolism detection. Methods The Institutional Review Board of the Shanghai Jiao Tong University School of Medicine approved this study, and written informed consent was obtained from all participating patients. Seventy-two patients with pulmonary embolism were scanned with spectral CT mode in the arterial phase. One hundred and one sets of virtual monochromatic spectral (VMS) images were generated ranging from 40 keV to 140 keV. Image noise, clot diameter and clot to artery contrast-to-noise ratio (CNR) from seven sets of VMS images at selected monochromatic levels in sCTPA were measured and compared. Subjective image quality and diagnostic confidence for these images were also assessed and compared. Data were analyzed by paired t test and Wilcoxon rank sum test. Results The lowest noise and the highest image quality score for the VMS images were obtained at 65 keV. The VMS images at 65 keV also had the second highest CNR value behind that of 50 keV VMS images. There was no difference in the mean noise and CNR between the 65 keV and 70 keV VMS images. The apparent clot diameter correlated with the keV levels. Conclusions The optimal energy level for detecting pulmonary embolism using dual-energy spectral CT pulmonary angiography was 65–70 keV. Virtual monochromatic spectral images at approximately 65–70 keV yielded the lowest image noise, high CNR and highest diagnostic confidence for the detection of pulmonary embolism. PMID:23667583
Kim, Ji-Hoon; Hong, Jong-Am; Kwon, Dae-Gyeon; Seo, Jaewon; Park, Yongsup
2014-04-21
Using ultraviolet photoelectron spectroscopy (UPS), we have measured the energy level offset at the planar interface between poly(3-hexylthiophene) (P3HT) and C{sub 61}-butyric acid methylester (PCBM). Gradual deposition of PCBM onto spin-coated P3HT in high vacuum was made possible by using electrospray vacuum deposition (EVD). The UPS measurement of EVD-prepared planar interface resulted in the energy level offset of 0.91 eV between P3HT HOMO and PCBM LUMO, which is considered as the upper limit of V{sub oc} of the organic photovoltaic cells.
Helander, M. G.; Wang, Z. B.; Lu, Z. H.
2011-10-31
The energy-level alignment at metal/organic interfaces has traditionally been studied using ultraviolet photoelectron spectroscopy (UPS) in ultra-high vacuum (UHV). However, since most devices are fabricated in high vacuum (HV), these studies do not accurately reflect the interfaces in real devices. We demonstrate, using UPS measurements of samples prepared in HV and UHV and current-voltage measurements of devices prepared in HV, that the small amounts of residual gases that are adsorbed on the surface of clean Cu, Ag, and Au (i.e., the noble metals) in HV can significantly alter the energy-level alignment at metal/organic interfaces.
Khordad, R. Bahramiyan, H.
2014-03-28
In this paper, optical phonon modes are studied within the framework of dielectric continuum approach for parallelogram and triangular quantum wires, including the derivation of the electron-phonon interaction Hamiltonian and a discussion on the effects of this interaction on the electronic energy levels. The polaronic energy shift is calculated for both ground-state and excited-state electron energy levels by applying the perturbative approach. The effects of the electron-phonon interaction on the expectation value of r{sup 2} and diamagnetic susceptibility for both quantum wires are discussed.
Wang, Z. H.; Zheng, Q.; Wang, Xiaoguang; Li, Yong
2016-01-01
We study the energy-level crossing behavior in a two-dimensional quantum well with the Rashba and Dresselhaus spin-orbit couplings (SOCs). By mapping the SOC Hamiltonian onto an anisotropic Rabi model, we obtain the approximate ground state and its quantum Fisher information (QFI) via performing a unitary transformation. We find that the energy-level crossing can occur in the quantum well system within the available parameters rather than in cavity and circuit quantum eletrodynamics systems. Furthermore, the influence of two kinds of SOCs on the QFI is investigated and an intuitive explanation from the viewpoint of the stationary perturbation theory is given. PMID:26931762
An intelligent robotics control scheme
NASA Technical Reports Server (NTRS)
Orlando, N. E.
1984-01-01
The problem of robot control is viewed at the level of communicating high-level commands produced by intelligent algorithms to the actuator/sensor controllers. Four topics are considered in the design of an integrated control and communications scheme for an intelligent robotic system: the use of abstraction spaces, hierarchical versus heterarchical control, distributed processing, and the interleaving of the steps of plan creation and plan execution. A scheme is presented for an n-level distributed hierarchical/heterarchical control system that effectively interleaves intelligent planning, execution, and sensory feedback. A three-level version of this scheme has been successfully implemented in the Intelligent Systems Research Lab at NASA Langley Research Center. This implementation forms the control structure for DAISIE (Distributed Artificially Intelligent System for Interacting with the Environment), a testbed system integrating AI software with robotics hardware.
Calculated Energy Levels, Oscillator Strengths and Lifetimes in Al-like Argon
NASA Astrophysics Data System (ADS)
Gupta, G. P.; Msezane, A. Z.
Excitation energies, oscillator strengths and transition probabilities for electric-dipole-allowed and inter-combination transitions among the 25 LS levels belonging to the (1s22s22p6)3s23p, 3s3p2, 3s23d, 3p3, 3s3p3d, 3s24s, 3s24p, 3s24d, 3s24f and 3s3p4s configurations of Ar VI are calculated using extensive configuration-interaction (CI) wave functions. From our transition probabilities we have also calculated the radiative lifetimes of doublet and quartet states of Ar VI. Our results are compared with other available theoretical calculations and the experimental data. To assess the importance of relativistic effects on our calculated values, we have also carried out calculations in the intermediate-coupling scheme. These effects are incorporated through the Breit-Pauli approximation via spin-orbit, spin-other-orbit, spin-spin, Darwin and mass correction terms. Small adjustments to the diagonal elements of the Hamiltonian matrices have been made so that the energy splittings are as close as possible to the experimental values. The energy splitting of 54 fine-structure levels, the oscillator strengths and transition probabilities for some strong dipole-allowed and intercombination transitions and the lifetimes of some fine-structure levels are presented and compared with available experimental and other theoretical values. Our lifetime for the 3s3p(1Po)3d(2Po) level calculated in intermediate-coupling scheme, while differing significantly from our LS value, shows excellent agreement with the experimental result of Pinnington et al. In this calculation we also predict new data for several levels where no other theoretical and experimental results are available.
Development of a RILIS ionisation scheme for gold at ISOLDE, CERN
NASA Astrophysics Data System (ADS)
Marsh, B. A.; Fedosseev, V. N.; Kosuri, P.
2006-07-01
At the ISOLDE on-line isotope separation facility, the resonance ionisation laser ion source (RILIS) can be used to ionise reaction products as they effuse from the target. The RILIS process of laser step-wise resonance ionisation of atoms in a hot metal cavity provides a highly element selective stage in the preparation of the radioactive ion beam. As a result, the ISOLDE mass separators can provide beams of a chosen isotope with greatly reduced isobaric contamination. With the addition of a new three-step ionisation scheme for gold, the RILIS is now capable of ionising 26 of the elements. The optimal scheme was determined during an extensive study of the atomic energy levels and auto-ionising states of gold, carried out by means of in-source resonance ionisation spectroscopy. Details of the ionisation scheme and a summary of the spectroscopy study are presented.
Development of a RILIS ionisation scheme for gold at ISOLDE, CERN
NASA Astrophysics Data System (ADS)
Marsh, B. A.; Fedosseev, V. N.; Kosuri, P.
At the ISOLDE on-line isotope separation facility, the resonance ionisation laser ion source (RILIS) can be used to ionise reaction products as they effuse from the target. The RILIS process of laser step-wise resonance ionisation of atoms in a hot metal cavity provides a highly element selective stage in the preparation of the radioactive ion beam. As a result, the ISOLDE mass separators can provide beams of a chosen isotope with greatly reduced isobaric contamination. With the addition of a new three-step ionisation scheme for gold, the RILIS is now capable of ionising 26 of the elements. The optimal scheme was determined during an extensive study of the atomic energy levels and auto-ionising states of gold, carried out by means of in-source resonance ionisation spectroscopy. Details of the ionisation scheme and a summary of the spectroscopy study are presented.
NASA Astrophysics Data System (ADS)
Tamandani, Shahryar; Darvish, Ghafar; Faez, Rahim
2016-01-01
In this paper by solving Dirac equation, we present an analytical solution to calculate energy levels and wave functions of mono- and bilayer graphene quantum dots. By supposing circular quantum dots, we solve Dirac equation and obtain energy levels and band gap with relations in a new closed and practical form. The energy levels are correlated with a radial quantum number and radius of quantum dots. In addition to monolayer quantum dots, AA- and AB-stacked bilayer quantum dots are investigated and their energy levels and band gap are calculated as well. Also, we analyze the influence of the quantum dots size on their energy spectrum. It can be observed that the band gap decreases as quantum dots' radius increases. On the other hand, increase in the band gap is more in AB-stacked bilayer quantum dots. Using the obtained relations, the band gap is obtained in each state. Comparing the energy spectra obtained from the tight-binding approximation with those of our obtained relations shows that the behavior of the energies as function of the dot size is qualitatively similar, but in some cases, quantitative differences can be seen. As quantum dots radius increases, the analytical results approach to the tight-binding method results.
NASA Astrophysics Data System (ADS)
Donkoh, A.; Kese, A. G.
1987-12-01
A 2×2 factorial experiment was conducted to determine the performance and certain physiological parameters of 200 day-old chicks fed diets containing either 2600 or 3000 kcal metabolizable energy (ME) per kilogram for a period of 28 days under conditions of brooding with or without supplemental heat in a hot humid tropical area. The results indicated that within each dietary energy level, there was no significant difference in growth rates of chicks brooded with or without supplemental heat, however, the high energy diet significantly (P<0.01) promoted greater weight gains than the low energy diet. Brooding chicks with supplemental heat and with the high energy diet, decreased feed intake and improved feed conversion efficiency. Chicks brooded without supplemental heat consumed significantly (P<0.01) less water than those brooded with heat, irrespective of the dietary energy level. Mortality and blood glucose levels were not affected by the heat and dietary energy treatments. Thyroid weight expressed as percentage of body weight, haemoglobin and hematocrit values were significantly (P<0.01) higher for chicks brooded without supplemental heat. On the other hand, dietary energy levels did not exert any effect on these physiological parameters. No significant heat and dietary energy level interaction effects were noted on all the parameters considered under this trial.
Fundamental Limitations in Advanced LC Schemes
Mikhailichenko, A. A.
2010-11-04
Fundamental limitations in acceleration gradient, emittance, alignment and polarization in acceleration schemes are considered in application for novel schemes of acceleration, including laser-plasma and structure-based schemes. Problems for each method are underlined whenever it is possible. Main attention is paid to the scheme with a tilted laser bunch.
A scheme for symmetrization verification
NASA Astrophysics Data System (ADS)
Sancho, Pedro
2011-08-01
We propose a scheme for symmetrization verification in two-particle systems, based on one-particle detection and state determination. In contrast to previous proposals, it does not follow a Hong-Ou-Mandel-type approach. Moreover, the technique can be used to generate superposition states of single particles.
Invisibly Sanitizable Digital Signature Scheme
NASA Astrophysics Data System (ADS)
Miyazaki, Kunihiko; Hanaoka, Goichiro; Imai, Hideki
A digital signature does not allow any alteration of the document to which it is attached. Appropriate alteration of some signed documents, however, should be allowed because there are security requirements other than the integrity of the document. In the disclosure of official information, for example, sensitive information such as personal information or national secrets is masked when an official document is sanitized so that its nonsensitive information can be disclosed when it is requested by a citizen. If this disclosure is done digitally by using the current digital signature schemes, the citizen cannot verify the disclosed information because it has been altered to prevent the leakage of sensitive information. The confidentiality of official information is thus incompatible with the integrity of that information, and this is called the digital document sanitizing problem. Conventional solutions such as content extraction signatures and digitally signed document sanitizing schemes with disclosure condition control can either let the sanitizer assign disclosure conditions or hide the number of sanitized portions. The digitally signed document sanitizing scheme we propose here is based on the aggregate signature derived from bilinear maps and can do both. Moreover, the proposed scheme can sanitize a signed document invisibly, that is, no one can distinguish whether the signed document has been sanitized or not.
Geophysical Inversion Through Hierarchical Scheme
NASA Astrophysics Data System (ADS)
Furman, A.; Huisman, J. A.
2010-12-01
Geophysical investigation is a powerful tool that allows non-invasive and non-destructive mapping of subsurface states and properties. However, non-uniqueness associated with the inversion process prevents the quantitative use of these methods. One major direction researchers are going is constraining the inverse problem by hydrological observations and models. An alternative to the commonly used direct inversion methods are global optimization schemes (such as genetic algorithms and Monte Carlo Markov Chain methods). However, the major limitation here is the desired high resolution of the tomographic image, which leads to a large number of parameters and an unreasonably high computational effort when using global optimization schemes. Two innovative schemes are presented here. First, a hierarchical approach is used to reduce the computational effort for the global optimization. Solution is achieved for coarse spatial resolution, and this solution is used as the starting point for finer scheme. We show that the computational effort is reduced in this way dramatically. Second, we use a direct ERT inversion as the starting point for global optimization. In this case preliminary results show that the outcome is not necessarily beneficial, probably because of spatial mismatch between the results of the direct inversion and the true resistivity field.
On symmetric and upwind TVD schemes
NASA Technical Reports Server (NTRS)
Yee, H. C.
1985-01-01
A class of explicit and implicit total variation diminishing (TVD) schemes for the compressible Euler and Navier-Stokes equations was developed. They do not generate spurious oscillations across shocks and contact discontinuities. In general, shocks can be captured within 1 to 2 grid points. For the inviscid case, these schemes are divided into upwind TVD schemes and symmetric (nonupwind) TVD schemes. The upwind TVD scheme is based on the second-order TVD scheme. The symmetric TVD scheme is a generalization of Roe's and Davis' TVD Lax-Wendroff scheme. The performance of these schemes on some viscous and inviscid airfoil steady-state calculations is investigated. The symmetric and upwind TVD schemes are compared.
Sonmez, S; Erbay, G; Guler, O C; Arslan, G
2014-01-01
Objective: This study compared the dosimetry of volumetric-arc therapy (VMAT) and intensity-modulated radiotherapy (IMRT) with a dynamic multileaf collimator using the Monte Carlo algorithm in the treatment of prostate cancer with and without simultaneous integrated boost (SIB) at different energy levels. Methods: The data of 15 biopsy-proven prostate cancer patients were evaluated. The prescribed dose was 78 Gy to the planning target volume (PTV78) including the prostate and seminal vesicles and 86 Gy (PTV86) in 39 fractions to the intraprostatic lesion, which was delineated by MRI or MR-spectroscopy. Results: PTV dose homogeneity was better for IMRT than VMAT at all energy levels for both PTV78 and PTV86. Lower rectum doses (V30–V50) were significantly higher with SIB compared with PTV78 plans in both IMRT and VMAT plans at all energy levels. The bladder doses at high dose level (V60–V80) were significantly higher in IMRT plans with SIB at all energy levels compared with PTV78 plans, but no significant difference was observed in VMAT plans. VMAT plans resulted in a significant decrease in the mean monitor units (MUs) for 6, 10, and 15 MV energy levels both in plans with and those without SIB. Conclusion: Dose escalation to intraprostatic lesions with 86 Gy is safe without causing serious increase in organs at risk (OARs) doses. VMAT is advantageous in sparing OARs and requiring less MU than IMRT. Advances in knowledge: VMAT with SIB to intraprostatic lesion is a feasible method in treating prostate cancer. Additionally, no dosimetric advantage of higher energy is observed. PMID:24319009
NASA Technical Reports Server (NTRS)
Schlosser, H.
1981-01-01
The self consistent calculation of the electronic energy levels of noble gas pseudomolecules formed when a metal surface is bombarded by noble gas ions is discussed along with the construction of energy level correlation diagrams as a function of interatomic spacing. The self consistent field x alpha scattered wave (SCF-Xalpha-SW) method is utilized. Preliminary results on the Ne-Mg system are given. An interactive x alpha programming system, implemented on the LeRC IBM 370 computer, is described in detail. This automated system makes use of special PROCDEFS (procedure definitions) to minimize the data to be entered manually at a remote terminal. Listings of the special PROCDEFS and of typical input data are given.
Subranging scheme for SQUID sensors
NASA Technical Reports Server (NTRS)
Penanen, Konstantin I. (Inventor)
2008-01-01
A readout scheme for measuring the output from a SQUID-based sensor-array using an improved subranging architecture that includes multiple resolution channels (such as a coarse resolution channel and a fine resolution channel). The scheme employs a flux sensing circuit with a sensing coil connected in series to multiple input coils, each input coil being coupled to a corresponding SQUID detection circuit having a high-resolution SQUID device with independent linearizing feedback. A two-resolution configuration (course and fine) is illustrated with a primary SQUID detection circuit for generating a fine readout, and a secondary SQUID detection circuit for generating a course readout, both having feedback current coupled to the respective SQUID devices via feedback/modulation coils. The primary and secondary SQUID detection circuits function and derive independent feedback. Thus, the SQUID devices may be monitored independently of each other (and read simultaneously) to dramatically increase slew rates and dynamic range.
NASA Astrophysics Data System (ADS)
Popa, Mihnea; Roth, Mike
2003-06-01
In this paper we study the relationship between two different compactifications of the space of vector bundle quotients of an arbitrary vector bundle on a curve. One is Grothendieck's Quot scheme, while the other is a moduli space of stable maps to the relative Grassmannian. We establish an essentially optimal upper bound on the dimension of the two compactifications. Based on that, we prove that for an arbitrary vector bundle, the Quot schemes of quotients of large degree are irreducible and generically smooth. We precisely describe all the vector bundles for which the same thing holds in the case of the moduli spaces of stable maps. We show that there are in general no natural morphisms between the two compactifications. Finally, as an application, we obtain new cases of a conjecture on effective base point freeness for pluritheta linear series on moduli spaces of vector bundles.
A biometric signcryption scheme without bilinear pairing
NASA Astrophysics Data System (ADS)
Wang, Mingwen; Ren, Zhiyuan; Cai, Jun; Zheng, Wentao
2013-03-01
How to apply the entropy in biometrics into the encryption and remote authentication schemes to simplify the management of keys is a hot research area. Utilizing Dodis's fuzzy extractor method and Liu's original signcryption scheme, a biometric identity based signcryption scheme is proposed in this paper. The proposed scheme is more efficient than most of the previous proposed biometric signcryption schemes for that it does not need bilinear pairing computation and modular exponentiation computation which is time consuming largely. The analysis results show that under the CDH and DL hard problem assumption, the proposed scheme has the features of confidentiality and unforgeability simultaneously.
NASA Astrophysics Data System (ADS)
Cheng, Jun; VandeVondele, Joost
2016-02-01
Understanding charge transfer at electrochemical interfaces requires consistent treatment of electronic energy levels in solids and in water at the same level of the electronic structure theory. Using density-functional-theory-based molecular dynamics and thermodynamic integration, the free energy levels of six redox couples in water are calculated at the level of the random phase approximation and a double hybrid density functional. The redox levels, together with the water band positions, are aligned against a computational standard hydrogen electrode, allowing for critical analysis of errors compared to the experiment. It is encouraging that both methods offer a good description of the electronic structures of the solutes and water, showing promise for a full treatment of electrochemical interfaces.
Cheng, Jun; VandeVondele, Joost
2016-02-26
Understanding charge transfer at electrochemical interfaces requires consistent treatment of electronic energy levels in solids and in water at the same level of the electronic structure theory. Using density-functional-theory-based molecular dynamics and thermodynamic integration, the free energy levels of six redox couples in water are calculated at the level of the random phase approximation and a double hybrid density functional. The redox levels, together with the water band positions, are aligned against a computational standard hydrogen electrode, allowing for critical analysis of errors compared to the experiment. It is encouraging that both methods offer a good description of the electronic structures of the solutes and water, showing promise for a full treatment of electrochemical interfaces. PMID:26967430
Interfacial energy level alignments between low-band-gap polymer PTB7 and indium zinc oxide anode
NASA Astrophysics Data System (ADS)
Shin, Dongguen; Lee, Jeihyun; Park, Soohyung; Jeong, Junkyeong; Seo, Ki-Won; Kim, Hyo-Joong; Kim, Han-Ki; Choi, Min-Jun; Chung, Kwun-Bum; Yi, Yeonjin
2015-09-01
The interfacial energy level alignments between poly(thieno[3,4-b]-thiophene)-co-benzodithiophene (PTB7) and indium zinc oxide (IZO) were investigated. In situ ultraviolet photoemission spectroscopy measurements were conducted with the step-by-step deposition of PTB7 on IZO substrate. All spectral changes were analyzed between each deposition step, and interfacial energy level alignments were estimated. The hole barrier of standard ultraviolet-ozone treated IZO is 0.58 eV, which is lower than the value of 1.09 eV obtained for bare IZO. The effect of barrier reduction on the hole transport was also confirmed with electrical measurements of hole-dominated devices.
Effect of dt{mu} quasinucleus structure on energy levels of the (dt{mu})Xee exotic molecule
Kartavtsev, O.I.; Malykh, A.V.; Permyakov, V.P.
2004-08-01
Precise energies of rovibrational states of the exotic hydrogen-like molecule (dt{mu})Xee are of importance for dt{mu} resonant formation, which is a key process in the muon-catalyzed fusion cycle. The effect of the internal structure and rotation of the dt{mu} quasi-nucleus on energy levels is studied using the three-body description of the (dt{mu})Xee molecule based on the hierarchy of scales and corresponding energies of its constituent subsystems. For a number of rovibrational states of (dt{mu})dee and (dt{mu})tee, the shifts and splittings of energy levels are calculated in the second order of the perturbation theory.
Ab initio potential energy surface and vibration-rotation energy levels of silicon dicarbide, SiC2.
Koput, Jacek
2016-10-01
The accurate ground-state potential energy surface of silicon dicarbide, SiC2 , has been determined from ab initio calculations using the coupled-cluster approach. Results obtained with the conventional and explicitly correlated coupled-cluster methods were compared. The core-electron correlation, higher-order valence-electron correlation, and scalar relativistic effects were taken into account. The potential energy barrier to the linear SiCC configuration was predicted to be 1782 cm(-1) . The vibration-rotation energy levels of the SiC2 , (29) SiC2 , (30) SiC2 , and SiC(13) C isotopologues were calculated using a variational method. The experimental vibration-rotation energy levels of the main isotopologue were reproduced to high accuracy. In particular, the experimental energy levels of the highly anharmonic vibrational ν3 mode of SiC2 were reproduced to within 6.7 cm(-1) , up to as high as the v3 = 16 state. PMID:27481562
Position-dependent energy-level shifts of an accelerated atom in the presence of a boundary
Zhu Zhiying; Yu Hongwei
2010-10-15
We consider a uniformly accelerated atom interacting with a vacuum electromagnetic field in the presence of an infinite conducting plane boundary and calculate separately the contributions of vacuum fluctuations and radiation reaction to the atomic energy-level shift. We analyze in detail the behavior of the total energy shift in three different regimes of the distance in both the low-acceleration and high-acceleration limits. Our results show that, in general, an accelerated atom does not behave as if immersed in a thermal bath at the Unruh temperature in terms of the atomic energy-level shifts, and the effect of the acceleration on the atomic energy-level shifts may in principle become appreciable in certain circumstances, although it may not be realistic for actual experimental measurements. We also examine the effects of the acceleration on the level shifts when the acceleration is of the order of the transition frequency of the atom and we find some features which differ from what was obtained in the existing literature.
Harwell, J R; Baikie, T K; Baikie, I D; Payne, J L; Ni, C; Irvine, J T S; Turnbull, G A; Samuel, I D W
2016-07-20
The field of organo-lead halide perovskite solar cells has been rapidly growing since their discovery in 2009. State of the art devices are now achieving efficiencies comparable to much older technologies like silicon, while utilising simple manufacturing processes and starting materials. A key parameter to consider when optimising solar cell devices or when designing new materials is the position and effects of the energy levels in the materials. We present here a comprehensive study of the energy levels present in a common structure of perovskite solar cell using an advanced macroscopic Kelvin probe and UV air photoemission setup. By constructing a detailed map of the energy levels in the system we are able to predict the importance of each layer to the open circuit voltage of the solar cell, which we then back up through measurements of the surface photovoltage of the cell under white illumination. Our results demonstrate the effectiveness of air photoemission and Kelvin probe contact potential difference measurements as a method of identifying the factors contributing to the open circuit voltage in a solar cell, as well as being an excellent way of probing the physics of new materials. PMID:27384817
EFFICIENCY PROBLEMS RELATED TO PERMANGANATE OXIDATION SCHEMES
Oxidation schemes for the in-situ destruction of chlorinated solvents, using potassium permanganate, are receiving considerable attention. Indication from field studies and from our own work are that permanganate oxidation schemes have inherent problems that could severely limit...
Pay scheme preferences and health policy objectives.
Abelsen, Birgit
2011-04-01
This paper studies the preferences among healthcare workers towards pay schemes involving different levels of risk. It identifies which pay scheme individuals would prefer for themselves, and which they think is best in furthering health policy objectives. The paper adds, methodologically, a way of defining pay schemes that include different levels of risk. A questionnaire was mailed to a random sample of 1111 dentists. Respondents provided information about their current and preferred pay schemes, and indicated which pay scheme, in their opinion, would best further overall health policy objectives. A total of 504 dentists (45%) returned the questionnaire, and there was no indication of systematic non-response bias. All public dentists had a current pay scheme based on a fixed salary and the majority of individuals preferred a pay scheme with more income risk. Their preferred pay schemes coincided with the ones believed to further stabilise healthcare personnel. The predominant current pay scheme among private dentists was based solely on individual output, and the majority of respondents preferred this pay scheme. In addition, their preferred pay schemes coincided with the ones believed to further efficiency objectives. Both public and private dentists believed that pay schemes, furthering efficiency objectives, had to include more performance-related pay than the ones believed to further stability and quality objectives. PMID:20565995
Quantum Signature Scheme with Weak Arbitrator
NASA Astrophysics Data System (ADS)
Luo, Ming-Xing; Chen, Xiu-Bo; Yun, Deng; Yang, Yi-Xian
2012-07-01
In this paper, we propose one quantum signature scheme with a weak arbitrator to sign classical messages. This scheme can preserve the merits in the original arbitrated scheme with some entanglement resources, and provide a higher efficiency in transmission and reduction the complexity of implementation. The arbitrator is costless and only involved in the disagreement case.
Comparative study of numerical schemes of TVD3, UNO3-ACM and optimized compact scheme
NASA Technical Reports Server (NTRS)
Lee, Duck-Joo; Hwang, Chang-Jeon; Ko, Duck-Kon; Kim, Jae-Wook
1995-01-01
Three different schemes are employed to solve the benchmark problem. The first one is a conventional TVD-MUSCL (Monotone Upwind Schemes for Conservation Laws) scheme. The second scheme is a UNO3-ACM (Uniformly Non-Oscillatory Artificial Compression Method) scheme. The third scheme is an optimized compact finite difference scheme modified by us: the 4th order Runge Kutta time stepping, the 4th order pentadiagonal compact spatial discretization with the maximum resolution characteristics. The problems of category 1 are solved by using the second (UNO3-ACM) and third (Optimized Compact) schemes. The problems of category 2 are solved by using the first (TVD3) and second (UNO3-ACM) schemes. The problem of category 5 is solved by using the first (TVD3) scheme. It can be concluded from the present calculations that the Optimized Compact scheme and the UN03-ACM show good resolutions for category 1 and category 2 respectively.
A dynamic bandwidth allocation scheme for EPON
NASA Astrophysics Data System (ADS)
Li, Xiuyuan; Wu, Xiaojuan; Ma, Maode; Li, Wenming; Zhang, Yuanyuan
2008-11-01
This paper analyses current bandwidth schemes and proposes a novel dynamic bandwidth allocation scheme for EPON. According the scheme, we define four kinds of multimedia services such as Unsolicited Request Service (URS), Realtime Service (rt-S), Non-Real-time Service (nrt-S) and Best Effort (BE). Different kinds of services have different Quality of Service (QoS) requirements. Our scheme considers the diverse QoS request, e.g., delay for rt-S, throughput for nrt-S and fairness for BE. The simulation results show this novel scheme can ensure the quality of service (QoS) and improve bandwidth utilization.
High-Order Energy Stable WENO Schemes
NASA Technical Reports Server (NTRS)
Yamaleev, Nail K.; Carpenter, Mark H.
2008-01-01
A new third-order Energy Stable Weighted Essentially NonOscillatory (ESWENO) finite difference scheme for scalar and vector linear hyperbolic equations with piecewise continuous initial conditions is developed. The new scheme is proven to be stable in the energy norm for both continuous and discontinuous solutions. In contrast to the existing high-resolution shock-capturing schemes, no assumption that the reconstruction should be total variation bounded (TVB) is explicitly required to prove stability of the new scheme. A rigorous truncation error analysis is presented showing that the accuracy of the 3rd-order ESWENO scheme is drastically improved if the tuning parameters of the weight functions satisfy certain criteria. Numerical results show that the new ESWENO scheme is stable and significantly outperforms the conventional third-order WENO finite difference scheme of Jiang and Shu in terms of accuracy, while providing essentially nonoscillatory solutions near strong discontinuities.
Efficient implementation of weighted ENO schemes
NASA Technical Reports Server (NTRS)
Jiang, Guang-Shan; Shu, Chi-Wang
1995-01-01
In this paper, we further analyze, test, modify and improve the high order WENO (weighted essentially non-oscillatory) finite difference schemes of Liu, Osher and Chan. It was shown by Liu et al. that WENO schemes constructed from the r-th order (in L1 norm) ENO schemes are (r+1)-th order accurate. We propose a new way of measuring the smoothness of a numerical solution, emulating the idea of minimizing the total variation of the approximation, which results in a 5-th order WENO scheme for the case r = 3, instead of the 4-th order with the original smoothness measurement by Liu et al. This 5-th order WENO scheme is as fast as the 4-th order WENO scheme of Liu et al., and both schemes are about twice as fast as the 4-th order ENO schemes on vector supercomputers and as fast on serial and parallel computers. For Euler systems of gas dynamics, we suggest computing the weights from pressure and entropy instead of the characteristic values to simplify the costly characteristic procedure. The resulting WENO schemes are about twice as fast as the WENO schemes using the characteristic decompositions to compute weights, and work well for problems which do not contain strong shocks or strong reflected waves. We also prove that, for conservation laws with smooth solutions, all WENO schemes are convergent. Many numerical tests, including the 1D steady state nozzle flow problem and 2D shock entropy wave interaction problem, are presented to demonstrate the remarkable capability of the WENO schemes, especially the WENO scheme using the new smoothness measurement, in resolving complicated shock and flow structures. We have also applied Yang's artificial compression method to the WENO schemes to sharpen contact discontinuities.
NASA Astrophysics Data System (ADS)
Fouillant, C.; Alibert, C.
1994-06-01
Many articles on the determination of the energy levels of a symmetric rectangular quantum well (SRQW) have been published in this Journal over the past 20 years. Standard textbooks of quantum mechanics as well as research papers offer graphical solutions. Exercises on quantum well (QW) remain rather difficult for students, because transcendental equations must be solved with boundaries at which the solution will be discontinuous. Numerical solutions generally determine the energy (En), assuming that the thickness is known, for each level number n. In this note, we show that the width L of an SRQW can be expressed directly as a function of the energy En for n=0,1,2,3,... .
NASA Astrophysics Data System (ADS)
Adkins, Gregory S.; Tran, Lam M.; Wang, Ruihan
2016-05-01
Ongoing improvements in the measurement of positronium transition intervals motivate the calculation of the O (m α7) corrections to these intervals. In this work we focus on corrections to the spin-singlet parapositronium energies involving virtual annihilation to two photons in an intermediate state. We have evaluated all contributions to the positronium S -state energy levels that can be written as the product of a one-loop correction on one side of the annihilation event and another one-loop correction on the other side. These effects contribute Δ E =-0.561971 (25 ) m α7/π3 to the parapositronium ground-state energy.
Scheme of thinking quantum systems
NASA Astrophysics Data System (ADS)
Yukalov, V. I.; Sornette, D.
2009-11-01
A general approach describing quantum decision procedures is developed. The approach can be applied to quantum information processing, quantum computing, creation of artificial quantum intelligence, as well as to analyzing decision processes of human decision makers. Our basic point is to consider an active quantum system possessing its own strategic state. Processing information by such a system is analogous to the cognitive processes associated to decision making by humans. The algebra of probability operators, associated with the possible options available to the decision maker, plays the role of the algebra of observables in quantum theory of measurements. A scheme is advanced for a practical realization of decision procedures by thinking quantum systems. Such thinking quantum systems can be realized by using spin lattices, systems of magnetic molecules, cold atoms trapped in optical lattices, ensembles of quantum dots, or multilevel atomic systems interacting with electromagnetic field.
Matroids and quantum-secret-sharing schemes
Sarvepalli, Pradeep; Raussendorf, Robert
2010-05-15
A secret-sharing scheme is a cryptographic protocol to distribute a secret state in an encoded form among a group of players such that only authorized subsets of the players can reconstruct the secret. Classically, efficient secret-sharing schemes have been shown to be induced by matroids. Furthermore, access structures of such schemes can be characterized by an excluded minor relation. No such relations are known for quantum secret-sharing schemes. In this paper we take the first steps toward a matroidal characterization of quantum-secret-sharing schemes. In addition to providing a new perspective on quantum-secret-sharing schemes, this characterization has important benefits. While previous work has shown how to construct quantum-secret-sharing schemes for general access structures, these schemes are not claimed to be efficient. In this context the present results prove to be useful; they enable us to construct efficient quantum-secret-sharing schemes for many general access structures. More precisely, we show that an identically self-dual matroid that is representable over a finite field induces a pure-state quantum-secret-sharing scheme with information rate 1.
Jin, Chengjun; Markussen, Troels; Thygesen, Kristian S.; Strange, Mikkel; Solomon, Gemma C.
2013-11-14
We study the effect of functional groups (CH{sub 3}*4, OCH{sub 3}, CH{sub 3}, Cl, CN, F*4) on the electronic transport properties of 1,4-benzenediamine molecular junctions using the non-equilibrium Green function method. Exchange and correlation effects are included at various levels of theory, namely density functional theory (DFT), energy level-corrected DFT (DFT+Σ), Hartree-Fock and the many-body GW approximation. All methods reproduce the expected trends for the energy of the frontier orbitals according to the electron donating or withdrawing character of the substituent group. However, only the GW method predicts the correct ordering of the conductance amongst the molecules. The absolute GW (DFT) conductance is within a factor of two (three) of the experimental values. Correcting the DFT orbital energies by a simple physically motivated scissors operator, Σ, can bring the DFT conductances close to experiments, but does not improve on the relative ordering. We ascribe this to a too strong pinning of the molecular energy levels to the metal Fermi level by DFT which suppresses the variation in orbital energy with functional group.
Liu, Liwei; Dienel, Thomas; Widmer, Roland; Gröning, Oliver
2015-10-27
Understanding the energy-level alignment and charge transfer of organic molecules at large bandgap semiconductors is of crucial importance to optimize device performance in organic electronics. We have studied submonolayer coverage of manganese phthalocyanine (MnPc) on hexagonal boron nitride (h-BN) on Rh(111) as a model system by low-temperature scanning tunneling microscopy (STM) and spectroscopy (STS). The adsorbed molecules show three distinctly different bias-dependent topographic signatures, which depend on their adsorption positions on the h-BN. Among these three types of MnPc, one shows pronounced charging because of the proximity of the highest occupied molecular orbital (HOMO) to the Fermi level on the decoupling h-BN substrate. The charging of the MnPc from its neutral to the MnPc(+) state leads to a down shift of the Mn 3d-related orbital by 840 meV as determined from the difference in energy position between high- and low-bias charging. We find that the charging field is linearly related to the HOMO position with respect to the Fermi level, with a clear correlation to the adsorption orientations of the MnPc. Our results show how critically energy level alignment and field-induced charge transfer process can depend on adsorption configurations, even on an apparently low-interacting substrate like metal supported monolayer h-BN. PMID:26390030
VizieR Online Data Catalog: SiIX K-shell energy levels and transitions (Wei+, 2014)
NASA Astrophysics Data System (ADS)
Wei, H. G.; Shi, J. R.; Wang, F. L.; Zhong, J. Y.; Liang, G. Y.; Zhao, G.
2014-05-01
Accurate atomic data are needed to analyze the SiIX K-shell features in astrophysical X-ray spectra. Relative large discrepancies in the existing atomic data have impeded this progress. We present the accurate SiIX K-shell transition data, including K-shell energy levels, wavelengths, radiative rates, and oscillator strengths. The flexible atomic code (FAC), which is a fully relativistic atomic code with configuration interaction (CI) included, was employed to calculate these data. To investigate the CI effects, calculations with different configurations included were carried out. The K-shell atomic data of SiIX transitions between 1s22s22p2, 1s22s2p3, 1s22p4, 1s2s22p3, 1s2s2p4, and 1s2p5 are reported. The accuracy of our data is demonstrated by comparing them with the available experimental measurements and theoretical calculations. The energy levels are accurate to 3.5eV, the wavelengths to within 15mÅ. For most transitions, the radiative rates an accuracy of 20%. The effects of CI from high-energy configurations were investigated as well. (2 data files).
Ab-inito calculation of energy level alignment and vacuum level shift at CuPc/C60 interfaces
NASA Astrophysics Data System (ADS)
Sai, Na; Zhu, Xiaoyang; Chelikowsky, James; Leung, Kevin
2012-02-01
The alignment of the donor and acceptor enegy levels is of crucial importance for organic photovotaic performance. We investigate the interfaical electronic structure and energy level alignment of copper phthalocyanine (CuPc)/fullerene (C60) using ab-inito density functional theory calculations including van der Waals interactions and hybrid density functionals. We show that energy level alignment critically depends on the standing-up and lying-down orientation of the CuPc molecules relative to C60 at the interface. We calculate the magnitude of the interface dipole at different molecular orientations and compare them to the vacuum level shift observed in photoemission spectroscopy. The validity of existing theoretical models which invoke charge transfer on this organic interface will be discussed in light of our predictions. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Deparment of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.
Quantum effect on the energy levels of Eu2+ doped K2Ca2(SO4)3 nanoparticles.
Salah, Numan; Habib, Sami S; Khan, Zishan H
2010-09-01
Quantum confinement effect on the energy levels of Eu(2+) doped K(2)Ca(2)(SO(4))(3) nanoparticles has been observed. The broad photoluminescence (PL) emission band of Eu(2+) doped K(2)Ca(2)(SO(4))(3) microcrystalline sample observed at ∼436 nm is found to split into two narrow well resolved bands, located at 422 and 445 nm in the nanostructure form of this material. This has been attributed to the reduction in the crystal field strength of the nanomaterials, which results in widening the energy band gap and splitting the broad 4f(6)5d energy level of Eu(2+). Energy band gap values of the micro and nanocrystalline K(2)Ca(2)(SO(4))(3) samples were also determined by measuring the UV-visible absorption spectra. These values are 3.34 and 3.44 eV for the micro and nanocrystalline samples, respectively. These remarkable results suggest that activators having wide emission bands might be subjected to weak crystal strength via nanostructure materials to modify their electronic transitions. This might prove a powerful technique for producing new-advanced materials for use in the fields of solid state lasers and optoelectronic devises. PMID:20386964
Yao, Huifeng; Zhang, Hao; Ye, Long; Zhao, Wenchao; Zhang, Shaoqing; Hou, Jianhui
2016-02-17
Dialkylthio-substituted thienyl-benzodithiophene (BDT-DST) was designed and synthesized as a building block to modulate the molecular levels of the conjugated polymers, and three copolymers named PDST-BDD, PDST-TT and PDST-DPP were prepared and applied in polymer solar cells (PSCs). Theoretical calculations and electrochemical cyclic voltammetry (CV) measurement suggested that the dialkylthio group could decrease the molecular energy levels of the resulting polymers distinctly. The open-circuit voltage (VOC) of PSC devices based on PDST-BDD, PDST-TT, and PDST-DPP are as high as 1.0, 0.98, and 0.88 V, respectively, which are ∼0.15 V higher than those of the corresponding alky-substituted analogues. Moreover, the influence of the dialkylthio group on the absorption spectra, crystalline properties, hole mobilities, and blend morphologies of the polymers was also investigated. The results indicate that the dialkythio substitution is an effective method to modulate the molecular energy levels and that the BDT-DST unit has potential for constructing high-efficiency photovoltaic polymers. PMID:26359953
Saji, Pintu; Ganguli, Ashok K; Bhat, Mohsin A; Ingole, Pravin P
2016-04-18
The absolute electronic energy levels in silver indium sulfide (AIS) nanocrystals (NCs) with varying compositions and crystallographic phases have been determined by using cyclic voltammetry. Different crystallographic phases, that is, metastable cubic, orthorhombic, monoclinic, and a mixture of cubic and orthorhombic AIS NCs, were studied. The band gap values estimated from the cyclic voltammetry measurements match well with the band gap values calculated from the diffuse reflectance spectra measurements. The AIS nanostructures were found to show good electrocatalytic activity towards the hydrogen evolution reaction (HER). Our results clearly establish that the electronic and electrocatalytic properties of AIS NCs are strongly sensitive to the composition and crystal structure of AIS NCs. Monoclinic AIS was found to be the most active HER electrocatalyst, with electrocatalytic activity that is almost comparable to the MoS2 -based nanostructures reported in the literature, whereas cubic AIS was observed to be the least active of the studied crystallographic phases and compositions. In view of the HER activity and electronic band structure parameters observed herein, we hypothesize that the Fermi energy level of AIS NCs is an important factor that decides the electrocatalytic efficiency of these nanocomposites. The work presented herein, in addition to being the first of its kind regarding the composition and phase-dependence of electrochemical aspects of AIS NCs, also presents a simple solvothermal method for the synthesis of different crystallographic phases with various Ag/In molar ratios. PMID:26812447
How can conceptual schemes change teaching?
NASA Astrophysics Data System (ADS)
Wickman, Per-Olof
2012-03-01
Lundqvist, Almqvist and Östman describe a teacher's manner of teaching and the possible consequences it may have for students' meaning making. In doing this the article examines a teacher's classroom practice by systematizing the teacher's transactions with the students in terms of certain conceptual schemes, namely the epistemological moves, educational philosophies and the selective traditions of this practice. In connection to their study one may ask how conceptual schemes could change teaching. This article examines how the relationship of the conceptual schemes produced by educational researchers to educational praxis has developed from the middle of the last century to today. The relationship is described as having been transformed in three steps: (1) teacher deficit and social engineering, where conceptual schemes are little acknowledged, (2) reflecting practitioners, where conceptual schemes are mangled through teacher practice to aid the choices of already knowledgeable teachers, and (3) the mangling of the conceptual schemes by researchers through practice with the purpose of revising theory.
Rapid Parameterization Schemes for Aircraft Shape Optimization
NASA Technical Reports Server (NTRS)
Li, Wu
2012-01-01
A rapid shape parameterization tool called PROTEUS is developed for aircraft shape optimization. This tool can be applied directly to any aircraft geometry that has been defined in PLOT3D format, with the restriction that each aircraft component must be defined by only one data block. PROTEUS has eight types of parameterization schemes: planform, wing surface, twist, body surface, body scaling, body camber line, shifting/scaling, and linear morphing. These parametric schemes can be applied to two types of components: wing-type surfaces (e.g., wing, canard, horizontal tail, vertical tail, and pylon) and body-type surfaces (e.g., fuselage, pod, and nacelle). These schemes permit the easy setup of commonly used shape modification methods, and each customized parametric scheme can be applied to the same type of component for any configuration. This paper explains the mathematics for these parametric schemes and uses two supersonic configurations to demonstrate the application of these schemes.
Kate, O.M. ten; Zhang, Z.; Dorenbos, P.; Hintzen, H.T.; Kolk, E. van der
2013-01-15
Optical data of Sm, Tb and Yb doped Ca{sub 2}Si{sub 5}N{sub 8} and Sr{sub 2}Si{sub 5}N{sub 8} phosphors that have been prepared by solid-state synthesis, are presented. Together with luminescence data from literature on Ce{sup 3+} and Eu{sup 2+} doping in the M{sub 2}Si{sub 5}N{sub 8} (M=Ca, Sr, Ba) hosts, energy level schemes were constructed showing the energy of the 4f and 5d levels of all divalent and trivalent lanthanide ions relative to the valence and conduction band. The schemes were of great help in interpreting the optical data of the lanthanide doped phosphors and allow commenting on the valence stability of the ions, as well as the stability against thermal quenching of the Eu{sup 2+}d-f emission. Tb{sup 3+} substitutes on both a high energy and a low energy site in Ca{sub 2}Si{sub 5}N{sub 8}, due to which excitation at 4.77 eV led to emission from both the {sup 5}D{sub 3} and {sup 5}D{sub 4} levels, while excitation at 4.34 eV gave rise to mainly {sup 5}D{sub 4} emission. Doping with Sm resulted in typical Sm{sup 3+}f-f line absorption, as well as an absorption band around 4.1 eV in Ca{sub 2}Si{sub 5}N{sub 8} and 3.6 eV in Sr{sub 2}Si{sub 5}N{sub 8} that could be identified as the Sm{sup 3+} charge transfer band. Yb on the other hand was incorporated in both the divalent and the trivalent state in Ca{sub 2}Si{sub 5}N{sub 8}. - Graphical abstract: Energy level schemes showing the 4f ground states of the trivalent ( Black-Down-Pointing-Small-Triangle ) and divalent ( Black-Up-Pointing-Small-Triangle ) lanthanide ions and lowest energy 5d states of the trivalent ({nabla}) and divalent ({Delta}) ions with respect to the valence and conduction bands of Ca{sub 2}Si{sub 5}N{sub 8} (left) and Sr{sub 2}Si{sub 5}N{sub 8} (right). Highlights: Black-Right-Pointing-Pointer Construction of energy level schemes of all lanthanides within the M{sub 2}Si{sub 5}N{sub 8} hosts. Black-Right-Pointing-Pointer Construction was done by analyzing existing as well as new
A cascaded coding scheme for error control
NASA Technical Reports Server (NTRS)
Kasami, T.; Lin, S.
1985-01-01
A cascaded coding scheme for error control was investigated. The scheme employs a combination of hard and soft decisions in decoding. Error performance is analyzed. If the inner and outer codes are chosen properly, extremely high reliability can be attained even for a high channel bit-error-rate. Some example schemes are studied which seem to be quite suitable for satellite down-link error control.
Simulation of the Australian Mobilesat signalling scheme
NASA Technical Reports Server (NTRS)
Rahman, Mushfiqur
1990-01-01
The proposed Australian Mobilesat system will provide a range of circuit switched voice/data services using the B-series satellites. The reliability of the signalling scheme between the Network Management Station (NMS) and the mobile terminal (MT) is of critical importance to the performance of the overall system. Simulation results of the performance of the signalling scheme under various channel conditions and coding schemes are presented.
Quantum Authentication Scheme Based on Entanglement Swapping
NASA Astrophysics Data System (ADS)
Penghao, Niu; Yuan, Chen; Chong, Li
2016-01-01
Based on the entanglement swapping, a quantum authentication scheme with a trusted- party is proposed in this paper. With this scheme, two users can perform mutual identity authentication to confirm each other's validity. In addition, the scheme is proved to be secure under circumstances where a malicious attacker is capable of monitoring the classical and quantum channels and has the power to forge all information on the public channel.
van de Ligt, C P A; Lindemann, M D; Cromwell, G L
2002-02-01
Two experiments were conducted to evaluate potential interactive effects of supplemental Cr and dietary energy supply in growing pigs. Experiment 1 used 36 individually penned barrows, 25 to 65 kg, in a 2 x 3 factorial arrangement of supplemental Cr (0 or 200 ppb) and energy level (70, 80, or 90% of ME requirement). A corn-soybean meal basal diet was designed to supply all protein, mineral, and vitamin needs and 70% of the estimated ME need at 70% of ad libitum feed intake. Additional energy to 80% or 90% of the ME requirement was provided by a cornstarch/corn oil blend. In Exp. 2, 30 individually penned barrows, 23 to 68 kg, were used in a 2 x 4 factorial arrangement of supplemental Cr (0 or 200 ppb) and added energy source (none, cornstarch, corn oil, or choice white grease) with basal diets identical to Exp. 1. The various energy sources were added to 90% of the ME requirement. In both experiments, growth data were collected over a 50-d period and pigs were killed at 70.1 kg. Increasing energy levels increased (linear, P < 0.01) ADG, average backfat thickness, 10th rib backfat thickness, and cooler shrink and decreased (linear, P < 0.01) longissimus muscle area in Exp. 1. Carcass composition increased (linear, P < 0.01) in lipid and decreased in protein, water, and protein:lipid ratio in response to increasing ME levels. Similar results were observed in Exp. 2 in response to added energy, regardless of the energy source used. In response to ME, linear increases (P < 0.05) in plasma insulin concentration before feeding and after feeding were observed in Exp. 1. In Exp. 2, plasma insulin concentration was lower for the basal diet before feeding (P < 0.05) and higher for the starch diet after feeding (P < 0.01); insulin:glucose ratio increased (P < 0.01) after feeding for starch compared to oil and fat. No consistent effect of Cr or Cr x ME level on performance or carcass was observed (P > 0.10) in these experiments. Similarly, no Cr effect or Cr x ME interaction
NASA Astrophysics Data System (ADS)
Lü, W.; Tokuhiro, Y.; Umezu, I.; Sugimura, A.; Nagasaki, Y.
2006-10-01
Fluorescent resonance energy transfer between the poly(ethylene glycol)-b-poly(2-(N ,N-dimethylamino)ethyl methacrylate) stabilized CdS quantum dots (QDs) and texas-red streptavidin was observed. We propose a four-state model to explain photoluminescence (PL) process of CdS QDs and suggest that there are two emission processes originated from shallow and deep trap energy levels corresponding to fast and slow components of PL decay, respectively. Energy transfer mechanism was discussed based on Dexter theory [J. Chem. Phys. 21, 863 (1953)] and the proposed four-state model. It is found that the energy transfer efficiency of deep energy level is higher than that of shallow energy level. The calculated distance between QD and texas red with the parameters of shallow energy level is the same with that of deep level, which indicates that the proposed model is reasonable for explaining the PL dynamics of CdS QDs.
NASA Astrophysics Data System (ADS)
Kneur, Jean-Loïc; Neveu, André; Pinto, Marcus B.
2004-05-01
Improving perturbation theory via a variational optimization has generally produced in higher orders an embarrassingly large set of solutions, most of them unphysical (complex). We introduce an extension of the optimized perturbation method which leads to a drastic reduction of the number of acceptable solutions. The properties of this method are studied and it is then applied to the calculation of relevant quantities in different ϕ4 models, such as the anharmonic oscillator energy levels and the critical Bose-Einstein condensation temperature shift Δ Tc recently investigated by various authors. Our present estimates of Δ Tc , incorporating the most recently available six and seven loop perturbative information, are in excellent agreement with all the available lattice numerical simulations. This represents a very substantial improvement over previous treatments.
Carnall, W.T.; Beitz, J.V.; Crosswhite, H.
1984-03-15
The solution absorption spectrum of Bk/sup 3 +/(aquo) was measured and the observed band structure interpreted in terms of a free-ion energy level model. The band intensities were successfully analyzed using the Judd--Ofelt theory for transitions within the f/sup tsN/ configuration. Parameters of the theory were then used to compute fluorescence branching ratios from most probable fluorescing states, and an experimental search was successful in yielding evidence for a transition from one excited state to the ground state in D/sub 2/O solvent. Absorption bands attributed to f ..-->.. d transitions were observed and an interpretation of the electronic structure is presented. Band intensities were compared to those observed for Tb/sup 3 +/(aquo).
SYSTEMATIC CALCULATIONS OF ENERGY LEVELS AND TRANSITION RATES OF C-LIKE IONS WITH Z = 13-36
Wang, K.; Li, D. F.; Liu, H. T.; Han, X. Y.; Duan, B.; Li, C. Y.; Li, J. G.; Yan, J.; Guo, X. L.; Chen, C. Y.
2015-01-01
Based on systematic calculations using a combined relativistic configuration interaction and a many-body perturbation theory (MBPT) approach, we provide a complete and consistent data set for 46 levels belonging to the 2s {sup 2}2p {sup 2}, 2s2p {sup 3}, 2p {sup 4}, 2s {sup 2}2p3s, 2s {sup 2}2p3p, and 2s {sup 2}2p3d configurations in C-like ions with 13 ≤ Z ≤ 36. The data set includes energy levels as well as electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transition properties. Extensive comparisons with available observed and calculated results are made and indicate that the present MBPT calculations are highly accurate. The present data set can be used reliably for many purposes, such as the line identification of observed spectra, and modeling and diagnostics of astrophysical and fusion plasmas.
VizieR Online Data Catalog: Energy levels & transition rates of Be-like ions (Wang+, 2015)
NASA Astrophysics Data System (ADS)
Wang, K.; Guo, X. L.; Liu, H. T.; Li, D. F.; Long, F. Y.; Han, X. Y.; Duan, B.; Li, J. G.; Huang, M.; Wang, Y. S.; Hutton, R.; Zou, Y. M.; Zeng, J. L.; Chen, C. Y.; Yan, J.
2015-08-01
We report calculations of energy levels and radiative rates for transitions among the lowest 116 fine-structure levels arising from the n<=5 configurations in Be-like ions with Z=10-30. The wavelengths, oscillator strengths, line strengths, and radiative rates for all possible electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions among the 116 levels have been calculated using the combined configuration interaction and many-body perturbation method. The accuracy of the results is determined through extensive comparisons with existing laboratory measurements and theoretical results. The present complete set of results should be of great help in line identification and the interpretation of spectra, as well as in the modeling and diagnostics of astrophysical and fusion plasmas. (2 data files).
Photoluminescence Analysis of Energy Level on Li-Doped ZnO Nanowires Grown by a Hydrothermal Method
NASA Astrophysics Data System (ADS)
Hyo Lee, Sang; Lee, Jun Seok; Ko, Won Bae; Inn Sohn, Jung; Cha, Seung Nam; Kim, Jong Min; Park, Young Jun; Hong, Jin Pyo
2012-09-01
The optical and structural properties of Li-doped ZnO nanowires grown by a hydrothermal method are reported herein. The low-temperature and temperature-dependent photoluminescence spectra clearly exhibited emission peaks that confirmed the presence of a lithium impurity as an acceptor dopant. Particularly, the acceptor energy level of the Li dopant was estimated to be 121 meV from the PL spectra. This value was also indicated from an Arrhenius plot of the integrated PL intensity of the A°X emission as a function of temperature. These results are in agreement with theoretical and experimental results of previously considered p-type dopants reported in other studies.
Photoluminescence Analysis of Energy Level on Li-Doped ZnO Nanowires Grown by a Hydrothermal Method
NASA Astrophysics Data System (ADS)
Lee, Sang Hyo; Lee, Jun Seok; Ko, Won Bae; Sohn, Jung Inn; Cha, Seung Nam; Kim, Jong Min; Park, Young Jun; Hong, Jin Pyo
2012-09-01
The optical and structural properties of Li-doped ZnO nanowires grown by a hydrothermal method are reported herein. The low-temperature and temperature-dependent photoluminescence spectra clearly exhibited emission peaks that confirmed the presence of a lithium impurity as an acceptor dopant. Particularly, the acceptor energy level of the Li dopant was estimated to be 121 meV from the PL spectra. This value was also indicated from an Arrhenius plot of the integrated PL intensity of the A\\circX emission as a function of temperature. These results are in agreement with theoretical and experimental results of previously considered p-type dopants reported in other studies.
NASA Astrophysics Data System (ADS)
Lun, Zhi-Yuan; Li, Yun; Zhao, Kai; Du, Gang; Liu, Xiao-Yan; Wang, Yi
2016-08-01
In this work, the trap-assisted tunneling (TAT) mechanism is modeled as a two-step physical process for charge trapping memory (CTM). The influence of the TAT mechanism on CTM performance is investigated in consideration of various trap positions and energy levels. For the simulated CTM structure, simulation results indicate that the positions of oxide traps related to the maximum TAT current contribution shift towards the substrate interface and charge storage layer interface during time evolutions in programming and retention operations, respectively. Lower programming voltage and retention operations under higher temperature are found to be more sensitive to tunneling oxide degradation. Project supported by the National Natural Science Foundation of China (Grant Nos. 61404005, 61421005, and 91434201).
Bambah, B.A.; Dharamvir, K.; Sharma, A.C.
1996-04-01
The {open_quote}{open_quote}concave{close_quote}{close_quote} downward property of the standard static {ital q{bar q}} potentials leads to the energy level inequalities {ital E}{sub {ital n}+2}{minus}{ital E}{sub {ital n}+1}{lt}{ital E}{sub {ital n}+1}{minus}{ital E}{sub {ital n}} in the quarkonium mass spectrum. However, this inequality is experimentally observed to be reversed for {ital n}=2 in charmonium and {ital n}=3 in bottomonium, a fact that is inexplicable in terms of any known concave downward potential. We attempt to explain this by allowing for the violation of the concavity condition in a small interval, i.e., a {open_quote}{open_quote}wrinkle{close_quote}{close_quote} in some recently proposed quarkonium potentials. {copyright} {ital 1996 The American Physical Society.}
Willenbockel, M; Lüftner, D; Stadtmüller, B; Koller, G; Kumpf, C; Soubatch, S; Puschnig, P; Ramsey, M G; Tautz, F S
2015-01-21
What do energy level alignments at metal-organic interfaces reveal about the metal-molecule bonding strength? Is it permissible to take vertical adsorption heights as indicators of bonding strengths? In this paper we analyse 3,4,9,10-perylene-tetracarboxylic acid dianhydride (PTCDA) on the three canonical low index Ag surfaces to provide exemplary answers to these questions. Specifically, we employ angular resolved photoemission spectroscopy for a systematic study of the energy level alignments of the two uppermost frontier states in ordered monolayer phases of PTCDA. Data are analysed using the orbital tomography approach. This allows the unambiguous identification of the orbital character of these states, and also the discrimination between inequivalent species. Combining this experimental information with DFT calculations and the generic Newns-Anderson chemisorption model, we analyse the alignments of highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) with respect to the vacuum levels of bare and molecule-covered surfaces. This reveals clear differences between the two frontier states. In particular, on all surfaces the LUMO is subject to considerable bond stabilization through the interaction between the molecular π-electron system and the metal, as a consequence of which it also becomes occupied. Moreover, we observe a larger bond stabilization for the more open surfaces. Most importantly, our analysis shows that both the orbital binding energies of the LUMO and the overall adsorption heights of the molecule are linked to the strength of the chemical interaction between the molecular π-electron system and the metal, in the sense that stronger bonding leads to shorter adsorption heights and larger orbital binding energies. PMID:25475998
Rovibrational energy levels of the F(-)(H2O) and F(-)(D2O) complexes.
Sarka, János; Lauvergnat, David; Brites, Vincent; Császár, Attila G; Léonard, Celine
2016-06-29
The variational nuclear-motion codes ElVibRot and GENIUSH have been used to compute rotational-vibrational states of the F(-)(H2O) anion and its deuterated isotopologue, F(-)(D2O), employing a full-dimensional, semiglobal potential energy surface (PES) called SLBCL, developed as part of this study for the ground electronic state of the complex. The PES is determined from all-electron, explicitly correlated coupled-cluster singles, doubles, and connected triples [CCSD(T)-F12a] computations with an atom-centered, fixed-exponent Gaussian basis set of cc-pCVTZ-F12 quality. The SLBCL PES accurately reproduces the two equivalent minima of the complex, the corresponding transition barrier of C2v point-group symmetry, as well as the proton transfer and the dissociation asymptotes towards the products HF + OH(-) and F(-) + H2O, respectively. The code ElVibRot has been updated so that it can use curvilinear internal coordinates corresponding to a reaction path. The variationally computed vibrational energy levels are compared to relevant experimental and previously determined first-principles results. The vibrational states reveal the presence of pronounced anharmonic effects and considerable intermode couplings resulting in strong resonances, involving in particular the HOH bend and the ionic OH stretch motions. Tunneling results in particularly significant splittings for F(-)(H2O); as expected, the splittings are orders of magnitude smaller for the F(-)(D2O) molecule. The rovibrational energy levels reveal that, despite the large-amplitude vibrational motions, the rotations of F(-)(H2O) basically follow rigid-rotor characteristics. PMID:27306786
Localization scheme for relativistic spinors
NASA Astrophysics Data System (ADS)
Ciupka, J.; Hanrath, M.; Dolg, M.
2011-12-01
A new method to determine localized complex-valued one-electron functions in the occupied space is presented. The approach allows the calculation of localized orbitals regardless of their structure and of the entries in the spinor coefficient matrix, i.e., one-, two-, and four-component Kramers-restricted or unrestricted one-electron functions with real or complex expansion coefficients. The method is applicable to localization schemes that maximize (or minimize) a functional of the occupied spinors and that use a localization operator for which a matrix representation is available. The approach relies on the approximate joint diagonalization (AJD) of several Hermitian (symmetric) matrices which is utilized in electronic signal processing. The use of AJD in this approach has the advantage that it allows a reformulation of the localization criterion on an iterative 2 × 2 pair rotating basis in an analytical closed form which has not yet been described in the literature for multi-component (complex-valued) spinors. For the one-component case, the approach delivers the same Foster-Boys or Pipek-Mezey localized orbitals that one obtains from standard quantum chemical software, whereas in the multi-component case complex-valued spinors satisfying the selected localization criterion are obtained. These localized spinors allow the formulation of local correlation methods in a multi-component relativistic framework, which was not yet available. As an example, several heavy and super-heavy element systems are calculated using a Kramers-restricted self-consistent field and relativistic two-component pseudopotentials in order to investigate the effect of spin-orbit coupling on localization.
Vilkas, M J; Ishikawa, Y; Trabert, E
2007-03-27
Relativistic multireference many-body perturbation theory calculations have been performed on Xe{sup 43+}-Xe{sup 39+} ions, resulting in energy levels, electric dipole transition probabilities, and level lifetimes. The second-order many-body perturbation theory calculation of energy levels included mass shifts, frequency-dependent Breit correction and Lamb shifts. The calculated transition energies and E1 transition rates are used to present synthetic spectra in the extreme ultraviolet range for some of the Xe ions.
An Accounting Scheme for Personality Study.
ERIC Educational Resources Information Center
Dillon, James J.; Feldman, S. Shirley
Realizing the importance of human personality variables in comprehensive educational assessment structures, Operation PEP sought to develop a tool to assess specific human personality characteristics. The resulting accounting scheme is divided into three chapters: (1) an outline and definition of relevant terminology, (2) a scheme to account for…
Finite volume renormalization scheme for fermionic operators
Monahan, Christopher; Orginos, Kostas
2013-11-01
We propose a new finite volume renormalization scheme. Our scheme is based on the Gradient Flow applied to both fermion and gauge fields and, much like the Schr\\"odinger functional method, allows for a nonperturbative determination of the scale dependence of operators using a step-scaling approach. We give some preliminary results for the pseudo-scalar density in the quenched approximation.
A novel key management scheme using biometrics
NASA Astrophysics Data System (ADS)
Sui, Yan; Yang, Kai; Du, Yingzi; Orr, Scott; Zou, Xukai
2010-04-01
Key management is one of the most important issues in cryptographic systems. Several important challenges in such a context are represented by secure and efficient key generation, key distribution, as well as key revocation. Addressing such challenges requires a comprehensive solution which is robust, secure and efficient. Compared to traditional key management schemes, key management using biometrics requires the presence of the user, which can reduce fraud and protect the key better. In this paper, we propose a novel key management scheme using iris based biometrics. Our newly proposed scheme outperforms traditional key management schemes as well as some existing key-binding biometric schemes in terms of security, diversity and/or efficiency.
Splitting scheme for poroelasticity and thermoelasticity problems
NASA Astrophysics Data System (ADS)
Vabishchevich, P. N.; Vasil'eva, M. V.; Kolesov, A. E.
2014-08-01
Boundary value problems in thermoelasticity and poroelasticity (filtration consolidation) are solved numerically. The underlying system of equations consists of the Lamé stationary equations for displacements and nonstationary equations for temperature or pressure in the porous medium. The numerical algorithm is based on a finite-element approximation in space. Standard stability conditions are formulated for two-level schemes with weights. Such schemes are numerically implemented by solving a system of coupled equations for displacements and temperature (pressure). Splitting schemes with respect to physical processes are constructed, in which the transition to a new time level is associated with solving separate elliptic problems for the desired displacements and temperature (pressure). Unconditionally stable additive schemes are constructed by choosing a weight of a three-level scheme.
Structural stability of Lattice Boltzmann schemes
NASA Astrophysics Data System (ADS)
David, Claire; Sagaut, Pierre
2016-02-01
The goal of this work is to determine classes of traveling solitary wave solutions for Lattice Boltzmann schemes by means of a hyperbolic ansatz. It is shown that spurious solitary waves can occur in finite-difference solutions of nonlinear wave equation. The occurrence of such a spurious solitary wave, which exhibits a very long life time, results in a non-vanishing numerical error for arbitrary time in unbounded numerical domain. Such a behavior is referred here to have a structural instability of the scheme, since the space of solutions spanned by the numerical scheme encompasses types of solutions (solitary waves in the present case) that are not solutions of the original continuous equations. This paper extends our previous work about classical schemes to Lattice Boltzmann schemes (David and Sagaut 2011; 2009a,b; David et al. 2007).
Investigation of nonlinear motion simulator washout schemes
NASA Technical Reports Server (NTRS)
Riedel, S. A.; Hofmann, L. G.
1978-01-01
An overview is presented of some of the promising washout schemes which have been devised. The four schemes presented fall into two basic configurations; crossfeed and crossproduct. Various nonlinear modifications further differentiate the four schemes. One nonlinear scheme is discussed in detail. This washout scheme takes advantage of subliminal motions to speed up simulator cab centering. It exploits so-called perceptual indifference thresholds to center the simulator cab at a faster rate whenever the input to the simulator is below the perceptual indifference level. The effect is to reduce the angular and translational simulation motion by comparison with that for the linear washout case. Finally, the conclusions and implications for further research in the area of nonlinear washout filters are presented.
Quantum proxy signature scheme with public verifiability
NASA Astrophysics Data System (ADS)
Zhou, Jingxian; Zhou, Yajian; Niu, Xinxin; Yang, Yixian
2011-10-01
In recent years, with the development of quantum cryptography, quantum signature has also made great achievement. However, the effectiveness of all the quantum signature schemes reported in the literature can only be verified by a designated person. Therefore, its wide applications are limited. For solving this problem, a new quantum proxy signature scheme using EPR quantum entanglement state and unitary transformation to generate proxy signature is presented. Proxy signer announces his public key when he generates the final signature. According to the property of unitary transformation and quantum one-way function, everyone can verify whether the signature is effective or not by the public key. So the quantum proxy signature scheme in our paper can be public verified. The quantum key distribution and one-time pad encryption algorithm guarantee the unconditional security of this scheme. Analysis results show that this new scheme satisfies strong non-counterfeit and strong non-disavowal.
Efficient DSMC collision-partner selection schemes.
Gallis, Michail A.; Torczynski, John Robert
2010-07-01
The effect of collision-partner selection schemes on the accuracy and the efficiency of the Direct Simulation Monte Carlo (DSMC) method of Bird is investigated. Several schemes to reduce the total discretization error as a function of the mean collision separation and the mean collision time are examined. These include the historically first sub-cell scheme, the more recent nearest-neighbor scheme, and various near-neighbor schemes, which are evaluated for their effect on the thermal conductivity for Fourier flow. Their convergence characteristics as a function of spatial and temporal discretization and the number of simulators per cell are compared to the convergence characteristics of the sophisticated and standard DSMC algorithms. Improved performance is obtained if the population from which possible collision partners are selected is an appropriate fraction of the population of the cell.
Efficient DSMC collision-partner selection schemes.
Gallis, Michail A.; Torczynski, John Robert
2010-05-01
The effect of collision-partner selection schemes on the accuracy and the efficiency of the Direct Simulation Monte Carlo (DSMC) method of Bird is investigated. Several schemes to reduce the total discretization error as a function of the mean collision separation and the mean collision time are examined. These include the historically first sub-cell scheme, the more recent nearest-neighbor scheme, and various near-neighbor schemes, which are evaluated for their effect on the thermal conductivity for Fourier flow. Their convergence characteristics as a function of spatial and temporal discretization and the number of simulators per cell are compared to the convergence characteristics of the sophisticated and standard DSMC algorithms. Improved performance is obtained if the population from which possible collision partners are selected is an appropriate fraction of the population of the cell.
Two level scheme solvers for nuclear spectroscopy
NASA Astrophysics Data System (ADS)
Jansson, Kaj; DiJulio, Douglas; Cederkäll, Joakim
2011-10-01
A program for building level schemes from γ-spectroscopy coincidence data has been developed. The scheme builder was equipped with two different algorithms: a statistical one based on the Metropolis method and a more logical one, called REMP (REcurse, Merge and Permute), developed from scratch. These two methods are compared both on ideal cases and on experimental γ-ray data sets. The REMP algorithm is based on coincidences and transition energies. Using correct and complete coincidence data, it has solved approximately half a million schemes without failures. Also, for incomplete data and data with minor errors, the algorithm produces consistent sub-schemes when it is not possible to obtain a complete scheme from the provided data.
The basic function scheme of polynomial type
WU, Wang-yi; Lin, Guang
2009-12-01
A new numerical method---Basic Function Method is proposed. This method can directly discrete differential operator on unstructured grids. By using the expansion of basic function to approach the exact function, the central and upwind schemes of derivative are constructed. By using the second-order polynomial as basic function and applying the technique of flux splitting method and the combination of central and upwind schemes to suppress the non-physical fluctuation near the shock wave, the second-order basic function scheme of polynomial type for solving inviscid compressible flow numerically is constructed in this paper. Several numerical results of many typical examples for two dimensional inviscid compressible transonic and supersonic steady flow illustrate that it is a new scheme with high accuracy and high resolution for shock wave. Especially, combining with the adaptive remeshing technique, the satisfactory results can be obtained by these schemes.
Dembczynski, J. . E-mail: Jerzy.Dembczynski@put.poznan.pl; Elantkowska, M.; Ruczkowski, J.; Stefanska, D.
2007-01-15
We report fine and hyperfine structure analysis of the system of even configurations of the Sc atom in a large multi-configuration basis. The complete energy scheme in the energy region up to about 50,000 cm{sup -1} has been established with the predicted values of the hyperfine cture constants A. The effects of the configuration interaction in the fine and hyperfine structure are discussed.
Symmetric weak ternary quantum homomorphic encryption schemes
NASA Astrophysics Data System (ADS)
Wang, Yuqi; She, Kun; Luo, Qingbin; Yang, Fan; Zhao, Chao
2016-03-01
Based on a ternary quantum logic circuit, four symmetric weak ternary quantum homomorphic encryption (QHE) schemes were proposed. First, for a one-qutrit rotation gate, a QHE scheme was constructed. Second, in view of the synthesis of a general 3 × 3 unitary transformation, another one-qutrit QHE scheme was proposed. Third, according to the one-qutrit scheme, the two-qutrit QHE scheme about generalized controlled X (GCX(m,n)) gate was constructed and further generalized to the n-qutrit unitary matrix case. Finally, the security of these schemes was analyzed in two respects. It can be concluded that the attacker can correctly guess the encryption key with a maximum probability pk = 1/33n, thus it can better protect the privacy of users’ data. Moreover, these schemes can be well integrated into the future quantum remote server architecture, and thus the computational security of the users’ private quantum information can be well protected in a distributed computing environment.
A Real Quantum Designated Verifier Signature Scheme
NASA Astrophysics Data System (ADS)
Shi, Wei-Min; Zhou, Yi-Hua; Yang, Yu-Guang
2015-09-01
The effectiveness of most quantum signature schemes reported in the literature can be verified by a designated person, however, those quantum signature schemes aren't the real traditional designated verifier signature schemes, because the designated person hasn't the capability to efficiently simulate a signature which is indistinguishable from a signer, which cannot satisfy the requirements in some special environments such as E-voting, call for tenders and software licensing. For solving this problem, a real quantum designated verifier signature scheme is proposed in this paper. According to the property of unitary transformation and quantum one-way function, only a verifier designated by a signer can verify the "validity of a signature" and the designated verifier cannot prove to a third party that the signature was produced by the signer or by himself through a transcript simulation algorithm. Moreover, the quantum key distribution and quantum encryption algorithm guarantee the unconditional security of this scheme. Analysis results show that this new scheme satisfies the main security requirements of designated verifier signature scheme and the major attack strategies.
Towards an "All Speed" Unstructured Upwind Scheme
NASA Technical Reports Server (NTRS)
Loh, Ching Y.; Jorgenson, Philip C.E.
2009-01-01
In the authors previous studies [1], a time-accurate, upwind finite volume method (ETAU scheme) for computing compressible flows on unstructured grids was proposed. The scheme is second order accurate in space and time and yields high resolution in the presence of discontinuities. The scheme features a multidimensional limiter and multidimensional numerical dissipation. These help to stabilize the numerical process and to overcome the annoying pathological behaviors of upwind schemes. In the present paper, it will be further shown that such multidimensional treatments also lead to a nearly all-speed or Mach number insensitive upwind scheme. For flows at very high Mach number, e.g., 10, local numerical instabilities or the pathological behaviors are suppressed, while for flows at very low Mach number, e.g., 0.02, computation can be directly carried out without invoking preconditioning. For flows in different Mach number regimes, i.e., low, medium, and high Mach numbers, one only needs to adjust one or two parameters in the scheme. Several examples with low and high Mach numbers are demonstrated in this paper. Thus, the ETAU scheme is applicable to a broad spectrum of flow regimes ranging from high supersonic to low subsonic, appropriate for both CFD (computational fluid dynamics) and CAA (computational aeroacoustics).
A nonconservative scheme for isentropic gas dynamics
Chen, Gui-Qiang |; Liu, Jian-Guo
1994-05-01
In this paper, we construct a second-order nonconservative for the system of isentropic gas dynamics to capture the physical invariant regions for preventing negative density, to treat the vacuum singularity, and to control the local entropy from dramatically increasing near shock waves. The main difference in the construction of the scheme discussed here is that we use piecewise linear functions to approximate the Riemann invariants w and z instead of the physical variables {rho} and m. Our scheme is a natural extension of the schemes for scalar conservation laws and it can be numerical implemented easily because the system is diagonalized in this coordinate system. Another advantage of using Riemann invariants is that the Hessian matrix of any weak entropy has no singularity in the Riemann invariant plane w-z, whereas the Hessian matrices of the weak entropies have singularity at the vacuum points in the physical plane p-m. We prove that this scheme converges to an entropy solution for the Cauchy problem with L{sup {infinity}} initial data. By convergence here we mean that there is a subsequent convergence to a generalized solution satisfying the entrophy condition. As long as the entropy solution is unique, the whole sequence converges to a physical solution. This shows that this kind of scheme is quite reliable from theoretical view of point. In addition to being interested in the scheme itself, we wish to provide an approach to rigorously analyze nonconservative finite difference schemes.
Towards a genuinely multi-dimensional upwind scheme
NASA Technical Reports Server (NTRS)
Powell, Kenneth G.; Vanleer, Bram; Roe, Philip L.
1990-01-01
Methods of incorporating multi-dimensional ideas into algorithms for the solution of Euler equations are presented. Three schemes are developed and tested: a scheme based on a downwind distribution, a scheme based on a rotated Riemann solver and a scheme based on a generalized Riemann solver. The schemes show an improvement over first-order, grid-aligned upwind schemes, but the higher-order performance is less impressive. An outlook for the future of multi-dimensional upwind schemes is given.
Energy Levels and Intensity Parameters of Ho3(+) Ions in Y3Al5O12 and Lu3Al5O12
NASA Technical Reports Server (NTRS)
Walsh, Brian M.; Grew, Gary W.; Barnes, Norman P.
2006-01-01
The energy levels of the trivalent lanthanide Ho(sup 3+) in Y3Al5O12 (YAG) and Lu3Al5O12 (LuAG) have been measured. The Stark split levels for the first nine Ho manifolds in these materials have been measured, and the results have been fit to a free ion plus crystal field Hamiltonian to generate a theoretical set of energy levels. Crystal field parameters were varied to determine the best fit between experimental and theoretical energy levels. The energy levels of Ho:LuAG are seen to be very similar to those in Ho:YAG. However, subtle changes resulting from replacing Y(sup 3+) with Lu(sup 3+) in the garnet crystal Y3Al5O12 result in different transition wavelengths in LuAG. This has implications for Ho (sup 5)I7yields (sup 5)I8 lasers operating at approximately 2.1 micrometers. Although the energy levels have been measured previously in Ho:YAG, they have not been measured in Ho:LuAG. A comparison of the energy levels in Ho:YAG measured here show some discrepancies with previous measurements. The consistency of the energy level placement between Ho:LuAG and Ho:YAG indicate that the earlier studies may have some errors in the assignments. Finally, a Judd-Ofelt analysis is performed on Ho:YAG and Ho:LuAG to determine the intensity parameters, and thus, the transition probabilities and branching ratios of the first eight excited manifolds.
A Spatial Domain Quantum Watermarking Scheme
NASA Astrophysics Data System (ADS)
Wei, Zhan-Hong; Chen, Xiu-Bo; Xu, Shu-Jiang; Niu, Xin-Xin; Yang, Yi-Xian
2016-07-01
This paper presents a spatial domain quantum watermarking scheme. For a quantum watermarking scheme, a feasible quantum circuit is a key to achieve it. This paper gives a feasible quantum circuit for the presented scheme. In order to give the quantum circuit, a new quantum multi-control rotation gate, which can be achieved with quantum basic gates, is designed. With this quantum circuit, our scheme can arbitrarily control the embedding position of watermark images on carrier images with the aid of auxiliary qubits. Besides reversely acting the given quantum circuit, the paper gives another watermark extracting algorithm based on quantum measurements. Moreover, this paper also gives a new quantum image scrambling method and its quantum circuit. Differ from other quantum watermarking schemes, all given quantum circuits can be implemented with basic quantum gates. Moreover, the scheme is a spatial domain watermarking scheme, and is not based on any transform algorithm on quantum images. Meanwhile, it can make sure the watermark be secure even though the watermark has been found. With the given quantum circuit, this paper implements simulation experiments for the presented scheme. The experimental result shows that the scheme does well in the visual quality and the embedding capacity. Supported by the National Natural Science Foundation of China under Grant Nos. 61272514, 61170272, 61373131, 61121061, 61411146001, the program for New Century Excellent Talents under Grant No. NCET-13-0681, the National Development Foundation for Cryptological Research (Grant No. MMJJ201401012) and the Fok Ying Tung Education Foundation under Grant No. 131067, and the Shandong Provincial Natural Science Foundation of China under Grant No. ZR2013FM025
Miksovska, J.; Sebban, P.; Tandori, J.
1996-12-03
In the reaction centers from the purple photosynthetic bacterium Rhodobacter capsulatus, we have determined that residue L212Glu, situated near the secondary quinone acceptor Q{sub B}, modulates the free energy level of the reduced primary quinone molecule A{sub A}{sup -} at high pH. Even though the distance between L212Glu and Q{sub A} is 17 {angstrom}, our results indicate an apparent interaction energy between them of 30 {plus_minus} 18 meV. This interaction was measured by quantitating the stoichiometry of partial proton uptake upon formation of Q{sub A}{sup -} as a function of pH in four mutant strains which lack L212Glu, in comparison with the wild type. Below pH 7.5, the stoichiometry of proton uptake form all stains is nearly superimposable with that of the wild type. However, at variance with the wild type, reaction centers from all strains that lack L212Glu fail to take up protons above pH 9. The lack of a change in the free energy level is confirmed by the determination of the pH dependence of the rate (k{sub AP}) of P{sup +}Q{sub A}{sup -} charge recombination in the reaction centers where the native Q{sub A} is replaced by quinones having low redox potentials. Our data show that the ionization state of L212Glu, either on its own or via interactions with closely associated ionizable groups, is mainly involved in the proton uptake at high pH by reaction centers in the PQ{sub A}{sup -} state. This suggests that the formation of the Q{sub A}{sup -} semiquinone state induces shifts in pK{sub a}S of residues in the Q{sub B} proteic environment. This long-distance influence of ionization states is a mechanism which would facilitate electron transfer from Q{sub A} to Q{sub B} on the first and second flashes. The functional communication between the two quinone protein pockets may involve the iron-ligand complex which spans the distance between them. 48 refs., 4 figs.
Palmprint based multidimensional fuzzy vault scheme.
Liu, Hailun; Sun, Dongmei; Xiong, Ke; Qiu, Zhengding
2014-01-01
Fuzzy vault scheme (FVS) is one of the most popular biometric cryptosystems for biometric template protection. However, error correcting code (ECC) proposed in FVS is not appropriate to deal with real-valued biometric intraclass variances. In this paper, we propose a multidimensional fuzzy vault scheme (MDFVS) in which a general subspace error-tolerant mechanism is designed and embedded into FVS to handle intraclass variances. Palmprint is one of the most important biometrics; to protect palmprint templates; a palmprint based MDFVS implementation is also presented. Experimental results show that the proposed scheme not only can deal with intraclass variances effectively but also could maintain the accuracy and meanwhile enhance security. PMID:24892094
PICOBIT: A Compact Scheme System for Microcontrollers
NASA Astrophysics Data System (ADS)
St-Amour, Vincent; Feeley, Marc
Due to their tight memory constraints, small microcontroller based embedded systems have traditionally been implemented using low-level languages. This paper shows that the Scheme programming language can also be used for such applications, with less than 7 kB of total memory. We present PICOBIT, a very compact implementation of Scheme suitable for memory constrained embedded systems. To achieve a compact system we have tackled the space issue in three ways: the design of a Scheme compiler generating compact bytecode, a small virtual machine, and an optimizing C compiler suited to the compilation of the virtual machine.
A classification scheme for chimera states
NASA Astrophysics Data System (ADS)
Kemeth, Felix P.; Haugland, Sindre W.; Schmidt, Lennart; Kevrekidis, Ioannis G.; Krischer, Katharina
2016-09-01
We present a universal characterization scheme for chimera states applicable to both numerical and experimental data sets. The scheme is based on two correlation measures that enable a meaningful definition of chimera states as well as their classification into three categories: stationary, turbulent, and breathing. In addition, these categories can be further subdivided according to the time-stationarity of these two measures. We demonstrate that this approach is both consistent with previously recognized chimera states and enables us to classify states as chimeras which have not been categorized as such before. Furthermore, the scheme allows for a qualitative and quantitative comparison of experimental chimeras with chimeras obtained through numerical simulations.
Improved Quantum Signature Scheme with Weak Arbitrator
NASA Astrophysics Data System (ADS)
Su, Qi; Li, Wen-Min
2013-09-01
In this paper, we find a man-in-the-middle attack on the quantum signature scheme with a weak arbitrator (Luo et al., Int. J. Theor. Phys., 51:2135, 2012). In that scheme, the authors proposed a quantum signature based on quantum one way function which contains both verifying the signer phase and verifying the signed message phase. However, after our analysis we will show that Eve can adopt different strategies in respective phases to forge the signature without being detected. Then we present an improved scheme to increase the security.
Finite-volume scheme for anisotropic diffusion
NASA Astrophysics Data System (ADS)
van Es, Bram; Koren, Barry; de Blank, Hugo J.
2016-02-01
In this paper, we apply a special finite-volume scheme, limited to smooth temperature distributions and Cartesian grids, to test the importance of connectivity of the finite volumes. The area of application is nuclear fusion plasma with field line aligned temperature gradients and extreme anisotropy. We apply the scheme to the anisotropic heat-conduction equation, and compare its results with those of existing finite-volume schemes for anisotropic diffusion. Also, we introduce a general model adaptation of the steady diffusion equation for extremely anisotropic diffusion problems with closed field lines.
Palmprint Based Multidimensional Fuzzy Vault Scheme
Liu, Hailun; Sun, Dongmei; Xiong, Ke; Qiu, Zhengding
2014-01-01
Fuzzy vault scheme (FVS) is one of the most popular biometric cryptosystems for biometric template protection. However, error correcting code (ECC) proposed in FVS is not appropriate to deal with real-valued biometric intraclass variances. In this paper, we propose a multidimensional fuzzy vault scheme (MDFVS) in which a general subspace error-tolerant mechanism is designed and embedded into FVS to handle intraclass variances. Palmprint is one of the most important biometrics; to protect palmprint templates; a palmprint based MDFVS implementation is also presented. Experimental results show that the proposed scheme not only can deal with intraclass variances effectively but also could maintain the accuracy and meanwhile enhance security. PMID:24892094
A concatenated coding scheme for error control
NASA Technical Reports Server (NTRS)
Lin, S.
1985-01-01
A concatenated coding scheme for error contol in data communications was analyzed. The inner code is used for both error correction and detection, however the outer code is used only for error detection. A retransmission is requested if either the inner code decoder fails to make a successful decoding or the outer code decoder detects the presence of errors after the inner code decoding. Probability of undetected error of the proposed scheme is derived. An efficient method for computing this probability is presented. Throughout efficiency of the proposed error control scheme incorporated with a selective repeat ARQ retransmission strategy is analyzed.
The GEMPAK Barnes objective analysis scheme
NASA Technical Reports Server (NTRS)
Koch, S. E.; Desjardins, M.; Kocin, P. J.
1981-01-01
GEMPAK, an interactive computer software system developed for the purpose of assimilating, analyzing, and displaying various conventional and satellite meteorological data types is discussed. The objective map analysis scheme possesses certain characteristics that allowed it to be adapted to meet the analysis needs GEMPAK. Those characteristics and the specific adaptation of the scheme to GEMPAK are described. A step-by-step guide for using the GEMPAK Barnes scheme on an interactive computer (in real time) to analyze various types of meteorological datasets is also presented.
Higher order Godunov schemes for isothermal hydrodynamics
NASA Technical Reports Server (NTRS)
Balsara, Dinshaw S.
1994-01-01
In this paper we construct higher order Godunov schemes for isothermal flow. Isothermal hydrodynamics serves as a good representation for several systems of astrophysical interest. The schemes designed here have second-order accuracy in space and time and some are third-order accurate for advection. Moreover, several ingredients of these schemes are essential components of even higher order. The methods designed here have excellent ability to represent smooth flow yet capture shocks with high resolution. Several test problems are presented. The algorithms presented here are compared with other algorithms having a comparable formal order of accuracy.
A diagonally inverted LU implicit multigrid scheme
NASA Technical Reports Server (NTRS)
Yokota, Jeffrey W.; Caughey, David A.; Chima, Rodrick V.
1988-01-01
A new Diagonally Inverted LU Implicit scheme is developed within the framework of the multigrid method for the 3-D unsteady Euler equations. The matrix systems that are to be inverted in the LU scheme are treated by local diagonalizing transformations that decouple them into systems of scalar equations. Unlike the Diagonalized ADI method, the time accuracy of the LU scheme is not reduced since the diagonalization procedure does not destroy time conservation. Even more importantly, this diagonalization significantly reduces the computational effort required to solve the LU approximation and therefore transforms it into a more efficient method of numerically solving the 3-D Euler equations.
Impact of MoO3 interlayer on the energy level alignment of pentacene-C60 heterostructure
NASA Astrophysics Data System (ADS)
Zou, Ye; Mao, Hongying; Meng, Qing; Zhu, Daoben
2016-02-01
Using in situ ultraviolet photoelectron spectroscopy, the electronic structure evolutions at the interface between pentacene and fullerene (C60), a classical organic donor-acceptor heterostructure in organic electronic devices, on indium-tin oxide (ITO) and MoO3 modified ITO substrates have been investigated. The insertion of a thin layer MoO3 has a significant impact on the interfacial energy level alignment of pentacene-C60 heterostructure. For the deposition of C60 on pentacene, the energy difference between the highest occupied molecular orbital of donor and the lowest unoccupied molecular orbital of acceptor (HOMOD-LUMOA) offset of C60/pentacene heterostructure increased from 0.86 eV to 1.54 eV after the insertion of a thin layer MoO3 on ITO. In the inverted heterostructrure where pentacene was deposited on C60, the HOMOD-LUMOA offset of pentacene/C60 heterostructure increased from 1.32 to 2.20 eV after MoO3 modification on ITO. The significant difference of HOMOD-LUMOA offset shows the feasibility to optimize organic electronic device performance through interfacial engineering approaches, such as the insertion of a thin layer high work function MoO3 films.
NASA Astrophysics Data System (ADS)
Ramos, Roberto; Carabello, Steven; Lambert, Joseph; Cunnane, Daniel; Dai, Wenqing; Chen, Ke; Li, Qi; Xi, Xiaoxing
2013-03-01
When photons are strongly coupled to a quantum system, multiphoton transitions can be observed between two energy levels when the quantum energy of the exciting radiation, multiplied by an integer, matches the level spacing. This phenomenon can be observed in Josephson junction qubits exposed to weak microwave radiation at very low temperatures. At microwave resonance, the transition probability of a junction from superconducting to normal state is enhanced and these are used to map multiphoton transitions. We report observation of single- and multi-photon transitions between ground and first excited states in current-biased MgB2 thin film junctions by applying RF with frequencies between 0.5 and 3 Ghz. These large (up to 0.2mm x 0.3 mm) junctions consist of an MgB2 electrode insulated by native oxide from a lead (Pb) or tin (Sn) counter-electrode, and have areas at least 600 times bigger than Nb junctions previously shown to exhibit multiphoton transitions. The data is consistent with theoretical models of junctions behaving in the quantum limit and show anharmonicity of the junction potential when biased near the critical current.
Dawadi, Mahesh B; Michael Lindsay, C; Chirokolava, Andrei; Perry, David S; Xu, Li-Hong
2013-03-14
The high-resolution infrared spectrum of methylamine (CH3NH2) has been recorded using slit-jet direct absorption spectroscopy in the ν11 CH-stretch region (2965-3005 cm(-1)) with a resolution of 0.0025 cm(-1). The 621 lines assigned by ground state combination differences represent 27 substates with |K(')| ≤ 2 for the A, B, E1, and E2 symmetries. The spectrum of CH3NH2 is complicated by torsion and inversion tunneling connecting six equivalent minima. The upper states K(') = 0, ± 1 for E1 and E2 are substantially perturbed by "dark" states. The result in the spectrum is multiplets of 2 or 3 states with mixed bright∕dark character. The analysis of the spectrum reveals two qualitative differences in the energy level pattern relative to the vibrational ground state and relative to available data on the lower frequency vibrations (NH2 wag and CN stretch). First at J(') = 0, there is a different ordering of the levels connected by torsion-inversion tunneling. Second, the low-J splittings indicative of torsion-rotation coupling are greatly reduced in the ν11 excited state relative to the vibrational ground state for both the E1 and E2 species, suggesting the partial suppression of torsional tunneling in the ν11 CH-stretch excited state. PMID:23514487
NASA Astrophysics Data System (ADS)
Ward, Jacob Wolfgang; Nave, Gillian
2016-01-01
Recent measurements of four times ionized iron and nickel (Fe V & Ni V) wavelengths in the vacuum ultraviolet (VUV) have been taken using the National Institute for Standards and Technology (NIST) Normal Incidence Vacuum Spectrograph (NIVS) with a sliding spark light source with invar electrodes. The wavelengths observed in those measurements make use of high resolution photographic plates with the majority of observed lines having uncertainties of approximately 3mÅ. In addition to observations made with photographic plates, the same wavelength region was observed with phosphor image plates, which have been demonstrated to be accurate as a method of intensity calibration when used with a deuterium light source. This work will evaluate the use of phosphor image plates and deuterium lamps as an intensity calibration method for the Ni V spectrum in the 1200-1600Å region of the VUV. Additionally, by pairing the observed wavelengths of Ni V with accurate line intensities, it is possible to create an energy level optimization for Ni V providing high accuracy Ritz wavelengths. This process has previously been applied to Fe V and produced Ritz wavelengths that agreed with the above experimental observations.
NASA Astrophysics Data System (ADS)
Fehse, Karsten; Olthof, Selina; Walzer, Karsten; Leo, Karl; Johnson, Robert L.; Glowatzki, Hendrik; Bröker, Benjamin; Koch, Norbert
2007-10-01
Using ultraviolet photoemission spectroscopy, we investigated the energy level alignment at the interfaces of typical anodes used in organic electronics, indium tin oxide (ITO) and poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS), with the oligomeric hole transport material N ,N,N',N'-tetrakis(4-methoxyphenyl)-benzidine (MeO-TPD), and studied the influence of electrical interface doping by the strong electron acceptor tetrafluoro tetracyanoquinodimethane (F4-TCNQ). The fundamentally different anode materials with work functions of 4.40eV (ITO) and 4.85eV (PEDOT:PSS) show different hole injection barriers, which also depend on the thickness of the F4-TCNQ interface dopant layer. PEDOT:PSS anodes exhibit a consistently lower hole injection barrier to MeO-TPD compared to ITO by 0.1eV. We attribute this low hole injection barrier to additional charge transfer reactions at the PEDOT:PSS/MeO-TPD interface. In contrast, the deposition of the electron acceptor at the interface helps significantly to lower the hole injection barrier for ITO anodes.
Reexamination of the Energy Levels of 15F by 14O + 1H ElasticResonance Scattering with BEARS
Guo, F.Q.; Powell, J.; Lee, D.W.; Leitner, D.; McMahan, M.A.; Moltz, D.M.; O'Neil, J.P.; Perajarvi, K.; Phair, L.; Ramsey, C.A.; Xu,X.J.; Cerny, Joseph
2005-05-30
The energy levels of 15F have been measured by the p(14O,p)14O reaction. The 120 MeV 14O radioactive ion beam was produced by the BEARS coupled cyclotron system at an intensity averaging 1x104 particles/second on target. Energy calibration was obtained using resonances from the p(14N,p)14N reaction. The two lowest resonances in 15F were fitted with an R-matrix calculation. The fit to the ground state had Jp = 1/2+ at 1.23+-0.05 MeV (width 0.5-0.84 MeV), and the first excited state was Jp=5/2+ at 2.81+-0.02 MeV (width 0.30+-0.06 MeV), both relative to the mass-energy of the proton and 14O. The 15F ground state energy supports the disappearance of the Z=8 proton magic number for odd Z, Tz=-3/2 nuclei.
NASA Astrophysics Data System (ADS)
Kotiuga, Michele; Egger, David; Kronik, Leeor; Neaton, Jeffrey B.
2015-03-01
Accurate calculations of energy level alignment at complex interfaces are imperative for understanding a variety of transport and spectroscopy measurements, as well as for elucidating new interfacial electronic structure phenomena. However, standard approaches to such calculations, based on density functional theory (DFT), are well known to be deficient. In prior work on molecular junctions and physisorbed molecules on surfaces, an approximate GW approach, DFT+ Σ, has been successful in describing the conductance and level alignment of amine and pyridine terminated molecules on gold surfaces and in junctions. Here, via the use of hybrid functionals, we preform quantitative studies of the level alignment of thiol- and carbon-terminated phenyls on gold, where the formation of a strong chemical bond and presence of gateway states limit the validity of the DFT+ Σ approximation as currently formulated. We contrast these systems to prior work on weakly-coupled molecules, including bipyridine or phenyl-diamines. Additionally, we compute transmission functions using both DFT-PBE and DFT-HSE starting points and predict conductance and thermopower with these methods, comparing to experiments where possible. We acknowledge DOE, DOD, NERSC, ERC, ISF, and FWF.
NASA Astrophysics Data System (ADS)
Wu, Z. W.; Volotka, A. V.; Surzhykov, A.; Dong, C. Z.; Fritzsche, S.
2016-06-01
The angular distribution and linear polarization of the fluorescence light following the resonant photoexcitation is investigated within the framework of density matrix and second-order perturbation theory. Emphasis has been placed on "signatures" for determining the level sequence and splitting of intermediate (partially) overlapping resonances, if analyzed as a function of photon energy of incident light. Detailed computations within the multiconfiguration Dirac-Fock method have been performed, especially for the 1 s22 s22 p63 s ,Ji=1 /2 +γ1→(1s22 s 2 p63 s ) 13 p3 /2,J =1 /2 ,3 /2 →1 s22 s22 p63 s ,Jf=1 /2 +γ2 photoexcitation and subsequent fluorescence emission of atomic sodium. A remarkably strong dependence of the angular distribution and linear polarization of the γ2 fluorescence emission is found upon the level sequence and splitting of the intermediate (1s22 s 2 p63 s ) 13 p3 /2,J =1 /2 ,3 /2 overlapping resonances owing to their finite lifetime (linewidth). We therefore suggest that accurate measurements of the angular distribution and linear polarization might help identify the sequence and small splittings of closely spaced energy levels, even if they cannot be spectroscopically resolved.
Roy-Gobeil, Antoine; Miyahara, Yoichi; Grutter, Peter
2015-04-01
We present theoretical and experimental studies of the effect of the density of states of a quantum dot (QD) on the rate of single-electron tunneling that can be directly measured by electrostatic force microscopy (e-EFM) experiments. In e-EFM, the motion of a biased atomic force microscope cantilever tip modulates the charge state of a QD in the Coulomb blockade regime. The charge dynamics of the dot, which is detected through its back-action on the capacitavely coupled cantilever, depends on the tunneling rate of the QD to a back-electrode. The density of states of the QD can therefore be measured through its effect on the energy dependence of tunneling rate. We present experimental data on individual 5 nm colloidal gold nanoparticles that exhibit a near continuous density of state at 77 K. In contrast, our analysis of already published data on self-assembled InAs QDs at 4 K clearly reveals discrete degenerate energy levels. PMID:25761141
NASA Astrophysics Data System (ADS)
Delahaye, Thibault; Nikitin, Andrei; Rey, Michaël; Szalay, Péter G.; Tyuterev, Vladimir G.
2014-09-01
In this paper we report a new ground state potential energy surface for ethylene (ethene) C2H4 obtained from extended ab initio calculations. The coupled-cluster approach with the perturbative inclusion of the connected triple excitations CCSD(T) and correlation consistent polarized valence basis set cc-pVQZ was employed for computations of electronic ground state energies. The fit of the surface included 82 542 nuclear configurations using sixth order expansion in curvilinear symmetry-adapted coordinates involving 2236 parameters. A good convergence for variationally computed vibrational levels of the C2H4 molecule was obtained with a RMS(Obs.-Calc.) deviation of 2.7 cm-1 for fundamental bands centers and 5.9 cm-1 for vibrational bands up to 7800 cm-1. Large scale vibrational and rotational calculations for 12C2H4, 13C2H4, and 12C2D4 isotopologues were performed using this new surface. Energy levels for J = 20 up to 6000 cm-1 are in a good agreement with observations. This represents a considerable improvement with respect to available global predictions of vibrational levels of 13C2H4 and 12C2D4 and rovibrational levels of 12C2H4.
NASA Astrophysics Data System (ADS)
Kriske, Richard
2011-04-01
There may be Fermi Energy levels that would allow for easy travel by Atoms, Molecules and Particles, in the hollow interior of Nanotubes. This may result in a Quantum Mechanical explaination of Capillary Action, and it may result in devices could take advantage of the idea that it takes no energy to rise in a Capillary tube, only in leaving it. This no-energy conjecture of Capillarity sounds very much like the idea that Electrons in obitals lose no Energy staying in orbit, only in changing orbits.It is this conjecture that may reveal that a Fermi Energy state is essentially in a weak orbital. This weak orbital could be exploited to store Anti-matter for instance. More profoundly it clearly shows how the Quantum Mechanical states meld smoothly into Classical Physics. It also reveals how extremely efficient Classical Machines could be constructed to take advantage of this spontaneous action. Say a tube could be designed to nudge electrons out of a weak obital in one place, sent down the tube (which is another weak orbital) and deposited in a weak orbital of another very distant Atom, apparently with little or perhaps no work being done, as long as the orbitals are the same energy. This may already exist in some Biological systems. Although more experimentation is needed, this would be the breakthrough that is needed to unify Classical and Quantum Mechanics.
Impact of MoO3 interlayer on the energy level alignment of pentacene-C60 heterostructure.
Zou, Ye; Mao, Hongying; Meng, Qing; Zhu, Daoben
2016-02-28
Using in situ ultraviolet photoelectron spectroscopy, the electronic structure evolutions at the interface between pentacene and fullerene (C60), a classical organic donor-acceptor heterostructure in organic electronic devices, on indium-tin oxide (ITO) and MoO3 modified ITO substrates have been investigated. The insertion of a thin layer MoO3 has a significant impact on the interfacial energy level alignment of pentacene-C60 heterostructure. For the deposition of C60 on pentacene, the energy difference between the highest occupied molecular orbital of donor and the lowest unoccupied molecular orbital of acceptor (HOMO(D)-LUMO(A)) offset of C60/pentacene heterostructure increased from 0.86 eV to 1.54 eV after the insertion of a thin layer MoO3 on ITO. In the inverted heterostructrure where pentacene was deposited on C60, the HOMO(D)-LUMO(A) offset of pentacene/C60 heterostructure increased from 1.32 to 2.20 eV after MoO3 modification on ITO. The significant difference of HOMO(D)-LUMO(A) offset shows the feasibility to optimize organic electronic device performance through interfacial engineering approaches, such as the insertion of a thin layer high work function MoO3 films. PMID:26931717
A robust coding scheme for packet video
NASA Technical Reports Server (NTRS)
Chen, Y. C.; Sayood, Khalid; Nelson, D. J.
1991-01-01
We present a layered packet video coding algorithm based on a progressive transmission scheme. The algorithm provides good compression and can handle significant packet loss with graceful degradation in the reconstruction sequence. Simulation results for various conditions are presented.
Secure Wake-Up Scheme for WBANs
NASA Astrophysics Data System (ADS)
Liu, Jing-Wei; Ameen, Moshaddique Al; Kwak, Kyung-Sup
Network life time and hence device life time is one of the fundamental metrics in wireless body area networks (WBAN). To prolong it, especially those of implanted sensors, each node must conserve its energy as much as possible. While a variety of wake-up/sleep mechanisms have been proposed, the wake-up radio potentially serves as a vehicle to introduce vulnerabilities and attacks to WBAN, eventually resulting in its malfunctions. In this paper, we propose a novel secure wake-up scheme, in which a wake-up authentication code (WAC) is employed to ensure that a BAN Node (BN) is woken up by the correct BAN Network Controller (BNC) rather than unintended users or malicious attackers. The scheme is thus particularly implemented by a two-radio architecture. We show that our scheme provides higher security while consuming less energy than the existing schemes.
An efficient medical image compression scheme.
Li, Xiaofeng; Shen, Yi; Ma, Jiachen
2005-01-01
In this paper, a fast lossless compression scheme is presented for the medical image. This scheme consists of two stages. In the first stage, a Differential Pulse Code Modulation (DPCM) is used to decorrelate the raw image data, therefore increasing the compressibility of the medical image. In the second stage, an effective scheme based on the Huffman coding method is developed to encode the residual image. This newly proposed scheme could reduce the cost for the Huffman coding table while achieving high compression ratio. With this algorithm, a compression ratio higher than that of the lossless JPEG method for image can be obtained. At the same time, this method is quicker than the lossless JPEG2000. In other words, the newly proposed algorithm provides a good means for lossless medical image compression. PMID:17280962
Optimal Symmetric Ternary Quantum Encryption Schemes
NASA Astrophysics Data System (ADS)
Wang, Yu-qi; She, Kun; Huang, Ru-fen; Ouyang, Zhong
2016-07-01
In this paper, we present two definitions of the orthogonality and orthogonal rate of an encryption operator, and we provide a verification process for the former. Then, four improved ternary quantum encryption schemes are constructed. Compared with Scheme 1 (see Section 2.3), these four schemes demonstrate significant improvements in term of calculation and execution efficiency. Especially, under the premise of the orthogonal rate ɛ as secure parameter, Scheme 3 (see Section 4.1) shows the highest level of security among them. Through custom interpolation functions, the ternary secret key source, which is composed of the digits 0, 1 and 2, is constructed. Finally, we discuss the security of both the ternary encryption operator and the secret key source, and both of them show a high level of security and high performance in execution efficiency.
ONU Power Saving Scheme for EPON System
NASA Astrophysics Data System (ADS)
Mukai, Hiroaki; Tano, Fumihiko; Tanaka, Masaki; Kozaki, Seiji; Yamanaka, Hideaki
PON (Passive Optical Network) achieves FTTH (Fiber To The Home) economically, by sharing an optical fiber among plural subscribers. Recently, global climate change has been recognized as a serious near term problem. Power saving techniques for electronic devices are important. In PON system, the ONU (Optical Network Unit) power saving scheme has been studied and defined in XG-PON. In this paper, we propose an ONU power saving scheme for EPON. Then, we present an analysis of the power reduction effect and the data transmission delay caused by the ONU power saving scheme. According to the analysis, we propose an efficient provisioning method for the ONU power saving scheme which is applicable to both of XG-PON and EPON.
A robust coding scheme for packet video
NASA Technical Reports Server (NTRS)
Chen, Yun-Chung; Sayood, Khalid; Nelson, Don J.
1992-01-01
A layered packet video coding algorithm based on a progressive transmission scheme is presented. The algorithm provides good compression and can handle significant packet loss with graceful degradation in the reconstruction sequence. Simulation results for various conditions are presented.
High-Order Energy Stable WENO Schemes
NASA Technical Reports Server (NTRS)
Yamaleev, Nail K.; Carpenter, Mark H.
2009-01-01
A third-order Energy Stable Weighted Essentially Non-Oscillatory (ESWENO) finite difference scheme developed by Yamaleev and Carpenter was proven to be stable in the energy norm for both continuous and discontinuous solutions of systems of linear hyperbolic equations. Herein, a systematic approach is presented that enables 'energy stable' modifications for existing WENO schemes of any order. The technique is demonstrated by developing a one-parameter family of fifth-order upwind-biased ESWENO schemes; ESWENO schemes up to eighth order are presented in the appendix. New weight functions are also developed that provide (1) formal consistency, (2) much faster convergence for smooth solutions with an arbitrary number of vanishing derivatives, and (3) improved resolution near strong discontinuities.
Asynchronous Communication Scheme For Hypercube Computer
NASA Technical Reports Server (NTRS)
Madan, Herb S.
1988-01-01
Scheme devised for asynchronous-message communication system for Mark III hypercube concurrent-processor network. Network consists of up to 1,024 processing elements connected electrically as though were at corners of 10-dimensional cube. Each node contains two Motorola 68020 processors along with Motorola 68881 floating-point processor utilizing up to 4 megabytes of shared dynamic random-access memory. Scheme intended to support applications requiring passage of both polled or solicited and unsolicited messages.
Composite centered schemes for multidimensional conservation laws
Liska, R.; Wendroff, B.
1998-05-08
The oscillations of a centered second order finite difference scheme and the excessive diffusion of a first order centered scheme can be overcome by global composition of the two, that is by performing cycles consisting of several time steps of the second order method followed by one step of the diffusive method. The authors show the effectiveness of this approach on some test problems in two and three dimensions.
Dynamic Restarting Schemes for Eigenvalue Problems
Wu, Kesheng; Simon, Horst D.
1999-03-10
In studies of restarted Davidson method, a dynamic thick-restart scheme was found to be excellent in improving the overall effectiveness of the eigen value method. This paper extends the study of the dynamic thick-restart scheme to the Lanczos method for symmetric eigen value problems and systematically explore a range of heuristics and strategies. We conduct a series of numerical tests to determine their relative strength and weakness on a class of electronic structure calculation problems.
Signature scheme based on bilinear pairs
NASA Astrophysics Data System (ADS)
Tong, Rui Y.; Geng, Yong J.
2013-03-01
An identity-based signature scheme is proposed by using bilinear pairs technology. The scheme uses user's identity information as public key such as email address, IP address, telephone number so that it erases the cost of forming and managing public key infrastructure and avoids the problem of user private generating center generating forgery signature by using CL-PKC framework to generate user's private key.
Ying Zhang; Qiren Zhu; Shoufu Pan )
1992-11-01
The investigation by Z.-Q Zhang et al. (Acta Optica Sinica 11, 193, 1991) shows that it is possible to realize soft X-ray lasing in the water window 23.3-43.8 [Angstrom] with the Na-like recombination scheme, which requires a lower pumping power at a high-power laser facility than that with other schemes. The fine-structure levels with n [le] 15 and l [le] 6 in Na-like ions with 38 [le] Z [le] 45 and the probabilities for radiative transitions between these levels are calculated using the multiconfiguration Dirac-Fock approach. The calculations show that the wavelengths of the anticipated laser transitions 6 f-4d and 6g-4f in the Na-like ions with 38 [le] Z [le] 43 and 5f-4d and 5g-4f in the Na-like ions with 40 [le] Z [le] 45 lie in the region of the water window.
Efficient multiparty quantum-secret-sharing schemes
Xiao Li; Deng Fuguo; Long Guilu; Pan Jianwei
2004-05-01
In this work, we generalize the quantum-secret-sharing scheme of Hillery, Buzek, and Berthiaume [Phys. Rev. A 59, 1829 (1999)] into arbitrary multiparties. Explicit expressions for the shared secret bit is given. It is shown that in the Hillery-Buzek-Berthiaume quantum-secret-sharing scheme the secret information is shared in the parity of binary strings formed by the measured outcomes of the participants. In addition, we have increased the efficiency of the quantum-secret-sharing scheme by generalizing two techniques from quantum key distribution. The favored-measuring-basis quantum-secret-sharing scheme is developed from the Lo-Chau-Ardehali technique [H. K. Lo, H. F. Chau, and M. Ardehali, e-print quant-ph/0011056] where all the participants choose their measuring-basis asymmetrically, and the measuring-basis-encrypted quantum-secret-sharing scheme is developed from the Hwang-Koh-Han technique [W. Y. Hwang, I. G. Koh, and Y. D. Han, Phys. Lett. A 244, 489 (1998)] where all participants choose their measuring basis according to a control key. Both schemes are asymptotically 100% in efficiency, hence nearly all the Greenberger-Horne-Zeilinger states in a quantum-secret-sharing process are used to generate shared secret information.
Adaptive MPEG-2 video data hiding scheme
NASA Astrophysics Data System (ADS)
Sarkar, Anindya; Madhow, Upamanyu; Chandrasekaran, Shivkumar; Manjunath, Bangalore S.
2007-02-01
We have investigated adaptive mechanisms for high-volume transform-domain data hiding in MPEG-2 video which can be tuned to sustain varying levels of compression attacks. The data is hidden in the uncompressed domain by scalar quantization index modulation (QIM) on a selected set of low-frequency discrete cosine transform (DCT) coefficients. We propose an adaptive hiding scheme where the embedding rate is varied according to the type of frame and the reference quantization parameter (decided according to MPEG-2 rate control scheme) for that frame. For a 1.5 Mbps video and a frame-rate of 25 frames/sec, we are able to embed almost 7500 bits/sec. Also, the adaptive scheme hides 20% more data and incurs significantly less frame errors (frames for which the embedded data is not fully recovered) than the non-adaptive scheme. Our embedding scheme incurs insertions and deletions at the decoder which may cause de-synchronization and decoding failure. This problem is solved by the use of powerful turbo-like codes and erasures at the encoder. The channel capacity estimate gives an idea of the minimum code redundancy factor required for reliable decoding of hidden data transmitted through the channel. To that end, we have modeled the MPEG-2 video channel using the transition probability matrices given by the data hiding procedure, using which we compute the (hiding scheme dependent) channel capacity.
Simplification of the unified gas kinetic scheme.
Chen, Songze; Guo, Zhaoli; Xu, Kun
2016-08-01
The unified gas kinetic scheme (UGKS) is an asymptotic preserving (AP) scheme for kinetic equations. It is superior for transition flow simulation and has been validated in the past years. However, compared to the well-known discrete ordinate method (DOM), which is a classical numerical method solving the kinetic equations, the UGKS needs more computational resources. In this study, we propose a simplification of the unified gas kinetic scheme. It allows almost identical numerical cost as the DOM, but predicts numerical results as accurate as the UGKS. In the simplified scheme, the numerical flux for the velocity distribution function and the numerical flux for the macroscopic conservative quantities are evaluated separately. The equilibrium part of the UGKS flux is calculated by analytical solution instead of the numerical quadrature in velocity space. The simplification is equivalent to a flux hybridization of the gas kinetic scheme for the Navier-Stokes (NS) equations and the conventional discrete ordinate method. Several simplification strategies are tested, through which we can identify the key ingredient of the Navier-Stokes asymptotic preserving property. Numerical tests show that, as long as the collision effect is built into the macroscopic numerical flux, the numerical scheme is Navier-Stokes asymptotic preserving, regardless the accuracy of the microscopic numerical flux for the velocity distribution function. PMID:27627418
NASA Astrophysics Data System (ADS)
Huang, Xinchuan; Schwenke, David W.; Lee, Timothy J.
2009-06-01
A further refined, global potential energy surface (PES) is computed for the C_{3v} symmetry isotopologues of ammonia, including ^{14}NH_3, ^{15}NH_3, ^{14}ND_3 and ^{14}NT_3. The refinement procedure was similar to that used in our previously reported PES, but now extends to higher J energy levels and other isotopologues. Both the diagonal Born-Oppenheimer correction and the non-adiabatic correction were included. J=0-6 rovibrational energy levels and transition frequencies of ^{14}NH_3 computed on this PES are in excellent agreement with HITRAN data. Statistics on nearly 4100 transitions and more than 1000 energy levels demonstrate the accuracy achieved by the state-of-the-art "Best Theory + Experiment" strategy. Most transition frequencies are of ±0.01-0.02 cm^{-1} accuracy. Similar accuracy has been found on ^{15}NH_3 J=0-3 rovibrational energy levels. Several transitions and energy levels in HITRAN have been identified as unreliable or suspicious, and some have been re-assigned. For ^{14}ND_3 and ^{14}NT_3, J=0-3 calculations have been performed. Agreement for pure rotation-inversion transitions is nearly perfect, with more reliable energy levels presented. On the other hand, our J=0 results suggest a re-analysis on the ^{14}ND_3 ν_1 band origin is needed. Finally, we will discuss possible future refinements leading to an even better final PES for Ammonia. X. Huang, D.W. Schwenke, and T.J. Lee, J. Chem. Phys. 129, 214304 (2008).
Barandiarán, Zoila; Meijerink, Andries; Seijo, Luis
2015-08-14
Configuration coordinate diagrams, which are normally used in a qualitative manner for the energy levels of active centers in phosphors, are quantitatively obtained here for intervalence charge transfer (IVCT) states of mixed valence pairs and metal-to-metal charge transfer (MMCT) states of heteronuclear pairs, in solid hosts. The procedure relies on vibrational frequencies and excitation energies of single-ion active centers, and on differences between ion-ligand distances of the donor and the acceptor, which are attainable empirically or through ab initio calculations. The configuration coordinate diagrams of the Yb(2+)/Yb(3+) mixed-valence pair in Yb-doped YAG and the Ce(3+)/Yb(3+) heteronuclear pair in Ce,Yb-codoped YAG, are obtained and described. They are drawn from empirical data of the single-ions and their usefulness is discussed. The first diagram suggests that IVCT states of Yb(2+)/Yb(3+) pairs may play an important role in the quenching of the Yb(3+) emission and it provides the details of the quenching mechanism. The second diagram supports the interpretation recently given for the energy transfer from Ce(3+) to Yb(3+) in Ce,Yb-codoped YAG via a MMCT Ce(4+)-Yb(2+) state and it provides the details. The analyses of the two diagrams suggest the formation of Yb(2+)/Yb(3+) pairs after the Ce(3+)-to-Yb(3+) MMCT, which is responsible for the temperature quenching of the Yb(3+) emission excited via Ce(3+) (4f → 5d) absorption in Ce,Yb-codoped YAG. PMID:26159813
ESTIMATING PLUME DISPERSION: A COMPARISON OF SEVERAL SIGMA SCHEMES
The lateral and vertical Gaussian plume dispersion parameters are estimated and compared with field tracer data collected at 11 sites. The dispersion parameter schemes used in this analysis include Cramer's scheme, suggested for tall stack dispersion estimates, Draxler's scheme, ...
NASA Astrophysics Data System (ADS)
Cassam-Chenaï, P.; Rousseau, G.; Ilmane, A.; Bouret, Y.; Rey, M.
2015-07-01
In previous works, we have introduced an alternative perturbation scheme to find approximate solutions of the spectral problem for the rotation-vibration molecular Hamiltonian. An important feature of our approach is that the zero order Hamiltonian is the direct product of a purely vibrational Hamiltonian with the identity on the rotational degrees of freedom. The convergence of our method for the methane vibrational ground state was very satisfactory and our predictions were quantitative. In the present article, we provide further details on the implementation of the method in the degenerate and quasi-degenerate cases. The quasi-degenerate version of the method is tested on excited polyads of methane, and the results are assessed with respect to a variational treatment. The optimal choice of the size of quasi-degenerate spaces is determined by a trade-off between speed of convergence of the perturbation series and the computational effort to obtain the effective super-Hamiltonian.
Cassam-Chenaï, P; Rousseau, G; Ilmane, A; Bouret, Y; Rey, M
2015-07-21
In previous works, we have introduced an alternative perturbation scheme to find approximate solutions of the spectral problem for the rotation-vibration molecular Hamiltonian. An important feature of our approach is that the zero order Hamiltonian is the direct product of a purely vibrational Hamiltonian with the identity on the rotational degrees of freedom. The convergence of our method for the methane vibrational ground state was very satisfactory and our predictions were quantitative. In the present article, we provide further details on the implementation of the method in the degenerate and quasi-degenerate cases. The quasi-degenerate version of the method is tested on excited polyads of methane, and the results are assessed with respect to a variational treatment. The optimal choice of the size of quasi-degenerate spaces is determined by a trade-off between speed of convergence of the perturbation series and the computational effort to obtain the effective super-Hamiltonian. PMID:26203014
Cassam-Chenaï, P. Rousseau, G.; Ilmane, A.; Bouret, Y.; Rey, M.
2015-07-21
In previous works, we have introduced an alternative perturbation scheme to find approximate solutions of the spectral problem for the rotation-vibration molecular Hamiltonian. An important feature of our approach is that the zero order Hamiltonian is the direct product of a purely vibrational Hamiltonian with the identity on the rotational degrees of freedom. The convergence of our method for the methane vibrational ground state was very satisfactory and our predictions were quantitative. In the present article, we provide further details on the implementation of the method in the degenerate and quasi-degenerate cases. The quasi-degenerate version of the method is tested on excited polyads of methane, and the results are assessed with respect to a variational treatment. The optimal choice of the size of quasi-degenerate spaces is determined by a trade-off between speed of convergence of the perturbation series and the computational effort to obtain the effective super-Hamiltonian.
An efficient authentication scheme for telecare medicine information systems.
Zhu, Zhian
2012-12-01
To ensure patients' privacy, such as telephone number, medical record number, health information, etc., authentication schemes for telecare medicine information systems (TMIS) have been studied widely. Recently, Wei et al. proposed an efficient authentication scheme for TMIS. They claimed their scheme could resist various attacks. However, in this paper, we will show their scheme is vulnerable to an off-line password guessing attack when user's smart card is lost. To improve the security, we propose a new authentication scheme for TMIS. The analysis shows our scheme could overcome the weaknesses in Wei et al.'s scheme and has better performance than their scheme. PMID:22527784
Combining image-processing and image compression schemes
NASA Technical Reports Server (NTRS)
Greenspan, H.; Lee, M.-C.
1995-01-01
An investigation into the combining of image-processing schemes, specifically an image enhancement scheme, with existing compression schemes is discussed. Results are presented on the pyramid coding scheme, the subband coding scheme, and progressive transmission. Encouraging results are demonstrated for the combination of image enhancement and pyramid image coding schemes, especially at low bit rates. Adding the enhancement scheme to progressive image transmission allows enhanced visual perception at low resolutions. In addition, further progressing of the transmitted images, such as edge detection schemes, can gain from the added image resolution via the enhancement.
A classification scheme for risk assessment methods.
Stamp, Jason Edwin; Campbell, Philip LaRoche
2004-08-01
This report presents a classification scheme for risk assessment methods. This scheme, like all classification schemes, provides meaning by imposing a structure that identifies relationships. Our scheme is based on two orthogonal aspects--level of detail, and approach. The resulting structure is shown in Table 1 and is explained in the body of the report. Each cell in the Table represent a different arrangement of strengths and weaknesses. Those arrangements shift gradually as one moves through the table, each cell optimal for a particular situation. The intention of this report is to enable informed use of the methods so that a method chosen is optimal for a situation given. This report imposes structure on the set of risk assessment methods in order to reveal their relationships and thus optimize their usage.We present a two-dimensional structure in the form of a matrix, using three abstraction levels for the rows and three approaches for the columns. For each of the nine cells in the matrix we identify the method type by name and example. The matrix helps the user understand: (1) what to expect from a given method, (2) how it relates to other methods, and (3) how best to use it. Each cell in the matrix represent a different arrangement of strengths and weaknesses. Those arrangements shift gradually as one moves through the table, each cell optimal for a particular situation. The intention of this report is to enable informed use of the methods so that a method chosen is optimal for a situation given. The matrix, with type names in the cells, is introduced in Table 2 on page 13 below. Unless otherwise stated we use the word 'method' in this report to refer to a 'risk assessment method', though often times we use the full phrase. The use of the terms 'risk assessment' and 'risk management' are close enough that we do not attempt to distinguish them in this report. The remainder of this report is organized as follows. In Section 2 we provide context for this report
Simple theory for designing tidal power schemes
NASA Astrophysics Data System (ADS)
Prandle, D.
Basic parameters governing the design of tidal power schemes are identified and converted to dimensionless form by reference to (i) the mean tidal range and (ii) the surface area of the enclosed basin. Optimum values for these dimensionless parameters are derived and comparison made with actual engineering designs. A theoretical framework is thus established which can be used (i) to make a rudimentary design at any specific location or (ii) to compare and evaluate designs for various locations. Both one-way (flood or ebb) and two-way (flood and ebb) schemes are examined and, theoretically, the two-way scheme is shown to be more efficient. However, in practice, two-way schemes suffer disadvantages arising from (i) two-way flow through both turbines and sluices and (ii) lower average turbine heads. An important dimensional aspect of tidal power schemes is that, while energy extracted is proportional to the tidal amplitude squared, the requisite sluicing area is proportional to the square root of the tidal amplitude. In consequence, sites with large tidal amplitudes are best suited to tidal power development whereas for sites with low tidal amplitudes sluicing costs may be prohibitive.
Identification Schemes from Key Encapsulation Mechanisms
NASA Astrophysics Data System (ADS)
Anada, Hiroaki; Arita, Seiko
We propose a generic conversion from a key encapsulation mechanism (KEM) to an identification (ID) scheme. The conversion derives the security for ID schemes against concurrent man-in-the-middle (cMiM) attacks from the security for KEMs against adaptive chosen ciphertext attacks on one-wayness (one-way-CCA2). Then, regarding the derivation as a design principle of ID schemes, we develop a series of concrete one-way-CCA2 secure KEMs. We start with El Gamal KEM and prove it secure against non-adaptive chosen ciphertext attacks on one-wayness (one-way-CCA1) in the standard model. Then, we apply a tag framework with the algebraic trick of Boneh and Boyen to make it one-way-CCA2 secure based on the Gap-CDH assumption. Next, we apply the CHK transformation or a target collision resistant hash function to exit the tag framework. And finally, as it is better to rely on the CDH assumption rather than the Gap-CDH assumption, we apply the Twin DH technique of Cash, Kiltz and Shoup. The application is not “black box” and we do it by making the Twin DH technique compatible with the algebraic trick. The ID schemes obtained from our KEMs show the highest performance in both computational amount and message length compared with previously known ID schemes secure against concurrent man-in-the-middle attacks.
A flexible gridding scheme for reservoir simulation
Verma, S.
1995-12-31
This paper describes a new control volume based finite difference scheme for petroleum reservoir simulation which can be used with unstructured grids. The numerical scheme to model fluid flow is shown to be easily used for Voronoi grids in 2D. It can also be used with certain geometrical limitations for 3D Voronoi grids. The scheme can be used without any significant limitations for triangle or tetrahedron based grids where control volumes are constructed around their vertices. It assumes uniform properties inside such control volumes. Full, anisotropic and asymmetric permeability tensor can be easily handled with the proposed method. The permeability tensor can vary from block to block. Thus it will be of great value in modeling fluid flow in reservoirs where principal directions of permeability varies between beds or within a bed. The paper also presents an analysis of some of the published flexible gridding schemes which use a control volume type algebraic approximation and demonstrate the advantages of the method presented here. The technique for grid construction is also discussed. Test results presented here demonstrate the need for proper representation of reservoir geometry to predict the correct flow behavior. The gridding scheme described in this paper achieves that purpose.
Selecting optimal partitioning schemes for phylogenomic datasets
2014-01-01
Background Partitioning involves estimating independent models of molecular evolution for different subsets of sites in a sequence alignment, and has been shown to improve phylogenetic inference. Current methods for estimating best-fit partitioning schemes, however, are only computationally feasible with datasets of fewer than 100 loci. This is a problem because datasets with thousands of loci are increasingly common in phylogenetics. Methods We develop two novel methods for estimating best-fit partitioning schemes on large phylogenomic datasets: strict and relaxed hierarchical clustering. These methods use information from the underlying data to cluster together similar subsets of sites in an alignment, and build on clustering approaches that have been proposed elsewhere. Results We compare the performance of our methods to each other, and to existing methods for selecting partitioning schemes. We demonstrate that while strict hierarchical clustering has the best computational efficiency on very large datasets, relaxed hierarchical clustering provides scalable efficiency and returns dramatically better partitioning schemes as assessed by common criteria such as AICc and BIC scores. Conclusions These two methods provide the best current approaches to inferring partitioning schemes for very large datasets. We provide free open-source implementations of the methods in the PartitionFinder software. We hope that the use of these methods will help to improve the inferences made from large phylogenomic datasets. PMID:24742000
Upwind and symmetric shock-capturing schemes
NASA Technical Reports Server (NTRS)
Yee, H. C.
1987-01-01
The development of numerical methods for hyperbolic conservation laws has been a rapidly growing area for the last ten years. Many of the fundamental concepts and state-of-the-art developments can only be found in meeting proceedings or internal reports. This review paper attempts to give an overview and a unified formulation of a class of shock-capturing methods. Special emphasis is on the construction of the basic nonlinear scalar second-order schemes and the methods of extending these nonlinear scalar schemes to nonlinear systems via the extact Riemann solver, approximate Riemann solvers, and flux-vector splitting approaches. Generalization of these methods to efficiently include real gases and large systems of nonequilibrium flows is discussed. The performance of some of these schemes is illustrated by numerical examples for one-, two- and three-dimensional gas dynamics problems.
A compositional classification scheme for meteoritic chondrules
NASA Technical Reports Server (NTRS)
Sears, Derek W. G.; Jie, LU; Benoit, Paul H.; Dehart, John M.; Lofgren, Gary E.
1992-01-01
A compositionally based classification scheme for chondrules is proposed that will help in systematizing the wealth of data available and disentangling the effects of nebular and subsequent processes. The classification is not by texture or the composition of a single phase, or a mixture of these two, but rather is a comprehensive, systematic approach which uses the composition of the two main chondrule components. This scheme is applicable to over 95 percent of the chondrules and is easily applied using an electron microprobe. It stresses the original diversity of the chondrules and the complex yet facile way in which they respond to parent-body metamorphism. Results using this classification scheme suggest that arguments against an important role of chondrules in determining the compositional trends of the chondrites have been premature.
Scheme for multistep resonance photoionization of atoms
NASA Astrophysics Data System (ADS)
Liu, Bo; Ning, Xi-Jing
2001-07-01
Traditional schemes for multistep resonance photoionization of atoms let every employed laser beam interact with the atoms simultaneously. In such a situation, analyses via time-dependent Schrödinger equation show that high ionization probability requires all the laser beams must be intense enough. In order to decrease laser intensity, we proposed a scheme that the laser beam used to pump the excited atoms (in a higher bound state) into an autoionization state does not interact with the atoms until all the population is transferred by the other lasers from a ground state to the bound state. As an interesting example, we examined three-step photoionization of 235U with our scheme, showing that the intensity of two laser beams can be lowered by two orders of magnitude without losing high ionization probability.
An adaptive Cartesian control scheme for manipulators
NASA Technical Reports Server (NTRS)
Seraji, H.
1987-01-01
A adaptive control scheme for direct control of manipulator end-effectors to achieve trajectory tracking in Cartesian space is developed. The control structure is obtained from linear multivariable theory and is composed of simple feedforward and feedback controllers and an auxiliary input. The direct adaptation laws are derived from model reference adaptive control theory and are not based on parameter estimation of the robot model. The utilization of feedforward control and the inclusion of auxiliary input are novel features of the present scheme and result in improved dynamic performance over existing adaptive control schemes. The adaptive controller does not require the complex mathematical model of the robot dynamics or any knowledge of the robot parameters or the payload, and is computationally fast for online implementation with high sampling rates.
Cooling scheme for turbine hot parts
Hultgren, Kent Goran; Owen, Brian Charles; Dowman, Steven Wayne; Nordlund, Raymond Scott; Smith, Ricky Lee
2000-01-01
A closed-loop cooling scheme for cooling stationary combustion turbine components, such as vanes, ring segments and transitions, is provided. The cooling scheme comprises: (1) an annular coolant inlet chamber, situated between the cylinder and blade ring of a turbine, for housing coolant before being distributed to the turbine components; (2) an annular coolant exhaust chamber, situated between the cylinder and the blade ring and proximate the annular coolant inlet chamber, for collecting coolant exhaust from the turbine components; (3) a coolant inlet conduit for supplying the coolant to said coolant inlet chamber; (4) a coolant exhaust conduit for directing coolant from said coolant exhaust chamber; and (5) a piping arrangement for distributing the coolant to and directing coolant exhaust from the turbine components. In preferred embodiments of the invention, the cooling scheme further comprises static seals for sealing the blade ring to the cylinder and flexible joints for attaching the blade ring to the turbine components.
Gaitan, F.
1998-09-01
The generic Berry phase scenario in which a two-level system is coupled to a second system whose dynamical coordinate is slowly varying is generalized to allow for stochastic evolution of the slow system. The stochastic behavior is produced by coupling the slow system to a heat reservoir, which is modeled by a bath of harmonic oscillators initially in equilibrium at temperature T, and whose spectral density has a bandwidth that is small compared to the energy-level spacing of the fast system. The well-known energy-level shifts produced by Berry{close_quote}s phase in the fast system, in conjunction with the stochastic motion of the slow system, leads to a broadening of the fast system energy levels. In the limit of strong damping and sufficiently low temperature, we determine the degree of level broadening analytically, and show that the slow system dynamics satisfies a Langevin equation in which Lorentz-like and electriclike forces appear as a consequence of geometrical effects. We also determine the average energy level shift produced in the fast system by this mechanism. {copyright} {ital 1998} {ital The American Physical Society}
The Nonlinear Characteristic scheme in X-Y geometries
Walters, W.F.; Wareing, T.A.
1994-08-01
The Nonlinear Characteristic (NC) scheme for solving the discrete-ordinates form of the transport equation has recently been introduced and used to analyze one-dimensional slab transport problems. The purpose of this paper is to determine the accuracy and positivity of the NC scheme as extended to solve two-dimensional X-Y problems. We compare the results obtained using the NC scheme to those obtained using the Bilinear Discontinuous (BLD) scheme, the Bilinear Nodal (BLN) scheme, Linear Characteristic scheme, and the Diamond Difference with Fixup (DD/F) scheme. As was found in one-dimensional applications, the NC scheme is strictly positive and as accurate or more accurate than the other schemes for all meshes examined. The accuracy of the NC scheme for coarse meshes is particularity outstanding compared to that of the other schemes.
NASA Astrophysics Data System (ADS)
Tennyson, Jonathan; Bernath, Peter F.; Brown, Linda R.; Campargue, Alain; Császár, Attila G.; Daumont, Ludovic; Gamache, Robert R.; Hodges, Joseph T.; Naumenko, Olga V.; Polyansky, Oleg L.; Rothman, Laurence S.; Vandaele, Ann Carine; Zobov, Nikolai F.; Al Derzi, Afaf R.; Fábri, Csaba; Fazliev, Alexander Z.; Furtenbacher, Tibor; Gordon, Iouli E.; Lodi, Lorenzo; Mizus, Irina I.
2013-03-01
This is the third of a series of articles reporting critically evaluated rotational-vibrational line positions, transition intensities, and energy levels, with associated critically reviewed labels and uncertainties, for all the main isotopologues of water. This paper presents experimental line positions, experimental-quality energy levels, and validated labels for rotational-vibrational transitions of the most abundant isotopologue of water, H216O. The latest version of the MARVEL (Measured Active Rotational-Vibrational Energy Levels) line-inversion procedure is used to determine the rovibrational energy levels of the electronic ground state of H216O from experimentally measured lines, together with their self-consistent uncertainties, for the spectral region up to the first dissociation limit. The spectroscopic network of H216O containstwo components, an ortho (o) and a para (p) one. For o-H216O and p-H216O, experimentally measured, assigned, and labeled transitions were analyzed from more than 100 sources. The measured lines come from one-photon spectra recorded at room temperature in absorption, from hot samples with temperatures up to 3000 K recorded in emission, and from multiresonance excitation spectra which sample levels up to dissociation. The total number of transitions considered is 184 667 of which 182 156 are validated: 68 027 between para states and 114 129 ortho ones. These transitions give rise to 18 486 validated energy levels, of which 10 446 and 8040 belong to o-H216O and p-H216O, respectively. The energy levels, including their labeling with approximate normal-mode and rigid-rotor quantum numbers, have been checked against ones determined from accurate variational nuclear motion computations employing exact kinetic energy operators as well as against previous compilations of energy levels. The extensive list of MARVEL lines and levels obtained are deposited in the supplementary data of this paper, as well as in a distributed information system
A Trade-off Traitor Tracing Scheme
NASA Astrophysics Data System (ADS)
Ohtake, Go; Ogawa, Kazuto; Hanaoka, Goichiro; Imai, Hideki
There has been a wide-ranging discussion on the issue of content copyright protection in digital content distribution systems. Fiat and Tassa proposed the framework of dynamic traitor tracing. Their framework requires dynamic computation transactions according to the real-time responses of the pirate, and it presumes real-time observation of content redistribution. Therefore, it cannot be simply utilized in an application where such an assumption is not valid. In this paper, we propose a new scheme that provides the advantages of dynamic traitor tracing schemes and also overcomes their problems.
Low overhead slipless carrier phase estimation scheme.
Cheng, Haiquan; Li, Yan; Kong, Deming; Zang, Jizhao; Wu, Jian; Lin, Jintong
2014-08-25
Two slipless schemes are compared with application to single carrier 30 Gbaud quadrature phase shift keying (QPSK) system. An equivalent linewidth model considering the phase noise induced by both the laser linewidth and fiber nonlinearity is applied in the performance analysis. The simulation results show that it is possible to mitigate cycle slip (CS) using only 0.39% pilot overhead for the proposed blind carrier phase recovery (CPR) + pilot-symbols-aided phase unwrapping (PAPU) scheme within 1 dB signal-to-noise ratio (SNR) penalty limit at the bit error ratio (BER) of 10(-3) with 4 MHz equivalent linewidth. PMID:25321277
A COMPLETE SCHEME FOR A MUON COLLIDER.
PALMER,R.B.; BERG, J.S.; FERNOW, R.C.; GALLARDO, J.C.; KIRK, H.G.; ALEXAHIN, Y.; NEUFFER, D.; KAHN, S.A.; SUMMERS, D.
2007-09-01
A complete scheme for production, cooling, acceleration, and ring for a 1.5 TeV center of mass muon collider is presented, together with parameters for two higher energy machines. The schemes starts with the front end of a proposed neutrino factory that yields bunch trains of both muon signs. Six dimensional cooling in long-period helical lattices reduces the longitudinal emittance until it becomes possible to merge the trains into single bunches, one of each sign. Further cooling in all dimensions is applied to the single bunches in further helical lattices. Final transverse cooling to the required parameters is achieved in 50 T solenoids.
Security problem on arbitrated quantum signature schemes
Choi, Jeong Woon; Chang, Ku-Young; Hong, Dowon
2011-12-15
Many arbitrated quantum signature schemes implemented with the help of a trusted third party have been developed up to now. In order to guarantee unconditional security, most of them take advantage of the optimal quantum one-time encryption based on Pauli operators. However, in this paper we point out that the previous schemes provide security only against a total break attack and show in fact that there exists an existential forgery attack that can validly modify the transmitted pair of message and signature. In addition, we also provide a simple method to recover security against the proposed attack.
Security problem on arbitrated quantum signature schemes
NASA Astrophysics Data System (ADS)
Choi, Jeong Woon; Chang, Ku-Young; Hong, Dowon
2011-12-01
Many arbitrated quantum signature schemes implemented with the help of a trusted third party have been developed up to now. In order to guarantee unconditional security, most of them take advantage of the optimal quantum one-time encryption based on Pauli operators. However, in this paper we point out that the previous schemes provide security only against a total break attack and show in fact that there exists an existential forgery attack that can validly modify the transmitted pair of message and signature. In addition, we also provide a simple method to recover security against the proposed attack.
NASA Technical Reports Server (NTRS)
Tao, W. K.; Shi, J. J.; Lang, S.; Chen, S.; Hong, S-Y.; Peters-Lidard, C.
2007-01-01
Cloud microphysical processes play an important role in non-hydrostatic high-resolution simulations. Over the past decade both research and operational numerical weather prediction models have started using more complex cloud microphysical schemes that were originally developed for high-resolution cloud-resolving models. An improved bulk microphysical parameterization (adopted from the Goddard microphysics schemes) has recently implemented into the Weather Research and Forecasting (WRF) model. This bulk microphysical scheme has three different options --- 2ICE (cloud ice & snow), 3ICE-graupel (cloud ice, snow & graupel) and 3ICE-hail (cloud ice, snow & hail). High-resolution model simulations are conducted to examine the impact of microphysical schemes on two different weather events (a midlatitude linear convective system and an Atlantic hurricane). In addition, this bulk microphysical parameterization is compared with WIRF's three other bulk microphysical schemes.
Student Loans Schemes in Mauritius: Experience, Analysis and Scenarios
ERIC Educational Resources Information Center
Mohadeb, Praveen
2006-01-01
This study makes a comprehensive review of the situation of student loans schemes in Mauritius, and makes recommendations, based on best practices, for setting up a national scheme that attempts to avoid weaknesses identified in some of the loans schemes of other countries. It suggests that such a scheme would be cost-effective and beneficial both…
Numerical viscosity and the entropy condition for conservative difference schemes
NASA Technical Reports Server (NTRS)
Tadmor, E.
1983-01-01
Consider a scalar, nonlinear conservative difference scheme satisfying the entropy condition. It is shown that difference schemes containing more numerical viscosity will necessarily converge to the unique, physically relevant weak solution of the approximated conservation equation. In particular, entropy satisfying convergence follows for E schemes - those containing more numerical viscosity than Godunov's scheme.
High Order Semi-Lagrangian Advection Scheme
NASA Astrophysics Data System (ADS)
Malaga, Carlos; Mandujano, Francisco; Becerra, Julian
2014-11-01
In most fluid phenomena, advection plays an important roll. A numerical scheme capable of making quantitative predictions and simulations must compute correctly the advection terms appearing in the equations governing fluid flow. Here we present a high order forward semi-Lagrangian numerical scheme specifically tailored to compute material derivatives. The scheme relies on the geometrical interpretation of material derivatives to compute the time evolution of fields on grids that deform with the material fluid domain, an interpolating procedure of arbitrary order that preserves the moments of the interpolated distributions, and a nonlinear mapping strategy to perform interpolations between undeformed and deformed grids. Additionally, a discontinuity criterion was implemented to deal with discontinuous fields and shocks. Tests of pure advection, shock formation and nonlinear phenomena are presented to show performance and convergence of the scheme. The high computational cost is considerably reduced when implemented on massively parallel architectures found in graphic cards. The authors acknowledge funding from Fondo Sectorial CONACYT-SENER Grant Number 42536 (DGAJ-SPI-34-170412-217).
A classification scheme for LWR fuel assemblies
Moore, R.S.; Williamson, D.A.; Notz, K.J.
1988-11-01
With over 100 light water nuclear reactors operating nationwide, representing designs by four primary vendors, and with reload fuel manufactured by these vendors and additional suppliers, a wide variety of fuel assembly types are in existence. At Oak Ridge National Laboratory, both the Systems Integration Program and the Characteristics Data Base project required a classification scheme for these fuels. This scheme can be applied to other areas and is expected to be of value to many Office of Civilian Radioactive Waste Management programs. To develop the classification scheme, extensive information on the fuel assemblies that have been and are being manufactured by the various nuclear fuel vendors was compiled, reviewed, and evaluated. It was determined that it is possible to characterize assemblies in a systematic manner, using a combination of physical factors. A two-stage scheme was developed consisting of 79 assembly types, which are grouped into 22 assembly classes. The assembly classes are determined by the general design of the reactor cores in which the assemblies are, or were, used. The general BWR and PWR classes are divided differently but both are based on reactor core configuration. 2 refs., 15 tabs.
Creating Culturally Sustainable Agri-Environmental Schemes
ERIC Educational Resources Information Center
Burton, Rob J. F.; Paragahawewa, Upananda Herath
2011-01-01
Evidence is emerging from across Europe that contemporary agri-environmental schemes are having only limited, if any, influence on farmers' long-term attitudes towards the environment. In this theoretical paper we argue that these approaches are not "culturally sustainable," i.e. the actions are not becoming embedded within farming cultures as…
Configuration-Control Scheme Copes With Singularities
NASA Technical Reports Server (NTRS)
Seraji, Homayoun; Colbaugh, Richard D.
1993-01-01
Improved configuration-control scheme for robotic manipulator having redundant degrees of freedom suppresses large joint velocities near singularities, at expense of small trajectory errors. Provides means to enforce order of priority of tasks assigned to robot. Basic concept of configuration control of redundant robot described in "Increasing The Dexterity Of Redundant Robots" (NPO-17801).
How Can Conceptual Schemes Change Teaching?
ERIC Educational Resources Information Center
Wickman, Per-Olof
2012-01-01
Lundqvist, Almqvist and Ostman describe a teacher's manner of teaching and the possible consequences it may have for students' meaning making. In doing this the article examines a teacher's classroom practice by systematizing the teacher's transactions with the students in terms of certain conceptual schemes, namely the "epistemological moves",…
Unstaggered Central Schemes for Hyperbolic Systems
NASA Astrophysics Data System (ADS)
Touma, R.
2009-09-01
We develop an unstaggered central scheme for approximating the solution of general two-dimensional hyperbolic systems. In particular, we are interested in solving applied problems arising in hydrodynamics and astrophysics. In contrast with standard central schemes that evolve the numerical solution on two staggered grids at consecutive time steps, the method we propose evolves the numerical solution on a single grid, and avoids the resolution of the Riemann problems arising at the cell interfaces, thanks to a layer of ghost cells implicitly used. The numerical base scheme is used to solve shallow water equation problems and ideal magnetohydrodynamic problems. To satisfy the divergence-free constraint of the magnetic field in the numerical solution of ideal magnetohydrodynamic problems, we adapt Evans and Hawley's the constrained transport method to our unstaggered base scheme, and apply it to correct the magnetic field components at the end of each time step. The obtained results are in good agreement with corresponding ones appearing in the recent literature, thus confirming the efficiency and the potential of the proposed method.
ERIC Educational Resources Information Center
Lobban, Glenys
1974-01-01
Author contended that no broad-ranging study of the way sex-roles are presented in British reading schemes exists. In this article he described a preliminary study on sex-role content in readers in order to remedy this lack of information. (Author/RK)
ERIC Educational Resources Information Center
Brice, Anne; Brown, Cathryn; Hickman, Marie; Thorburn, Lis
2002-01-01
Describes a pilot mentoring program at the Health Libraries and Information Network (HeLIN) at the University of Oxford that was designed to increase understanding of mentoring for continuing professional and personal development; to investigate existing mentoring schemes; to incorporate a program for accreditation of mentors; and to evaluate the…
Harmonic generation with multiple wiggler schemes
Bonifacio, R.; De Salvo, L.; Pierini, P.
1995-02-01
In this paper the authors give a simple theoretical description of the basic physics of the single pass high gain free electron laser (FEL), describing in some detail the FEL bunching properties and the harmonic generation technique with a multiple-wiggler scheme or a high gain optical klystron configuration.
A conservative box-scheme for the Euler equations
NASA Astrophysics Data System (ADS)
Chattot, Jean-Jacques
1999-09-01
The work presented in this paper shows that the mixed-type scheme of Murman and Cole, originally developed for a scalar equation, can be extended to systems of conservation laws. A characteristic scheme for the equations of gas dynamics is introduced that has a close connection to a four operator scheme for the Burgers-Hopf equation. The results indicate that the scheme performs well on the classical test cases. The scheme has no tuning parameters and can be interpreted as the projection of an L-stable scheme. At steady state second order accuracy is obtained as a by-product of the box-scheme feature. Copyright
Cross-ontological analytics for alignment of different classification schemes
Posse, Christian; Sanfilippo, Antonio P; Gopalan, Banu; Riensche, Roderick M; Baddeley, Robert L
2010-09-28
Quantification of the similarity between nodes in multiple electronic classification schemes is provided by automatically identifying relationships and similarities between nodes within and across the electronic classification schemes. Quantifying the similarity between a first node in a first electronic classification scheme and a second node in a second electronic classification scheme involves finding a third node in the first electronic classification scheme, wherein a first product value of an inter-scheme similarity value between the second and third nodes and an intra-scheme similarity value between the first and third nodes is a maximum. A fourth node in the second electronic classification scheme can be found, wherein a second product value of an inter-scheme similarity value between the first and fourth nodes and an intra-scheme similarity value between the second and fourth nodes is a maximum. The maximum between the first and second product values represents a measure of similarity between the first and second nodes.
Strong authentication scheme for telecare medicine information systems.
Pu, Qiong; Wang, Jian; Zhao, Rongyong
2012-08-01
The telecare medicine information system enables or supports health-care delivery services. A secure authentication scheme will thus be needed to safeguard data integrity, confidentiality, and availability. In this paper, we propose a generic construction of smart-card-based password authentication protocol and prove its security. The proposed framework is superior to previous schemes in three following aspects : (1) our scheme is a true two-factor authentication scheme. (2) our scheme can yield a forward secure two-factor authentication scheme with user anonymity when appropriately instantiated. (3) our scheme utilizes each user's unique identity to accomplish the user authentication and does not need to store or verify others's certificates. And yet, our scheme is still reasonably efficient and can yield such a concrete scheme that is even more efficient than previous schemes. Therefore the end result is more practical for the telecare medicine system. PMID:21594637
Implicit and semi-implicit schemes: Algorithms
NASA Astrophysics Data System (ADS)
Keppens, R.; Tóth, G.; Botchev, M. A.; van der Ploeg, A.
1999-06-01
This study formulates general guidelines to extend an explicit code with a great variety of implicit and semi-implicit time integration schemes. The discussion is based on their specific implementation in the Versatile Advection Code, which is a general purpose software package for solving systems of non-linear hyperbolic (and/or parabolic) partial differential equations, using standard high resolution shock capturing schemes. For all combinations of explicit high resolution schemes with implicit and semi-implicit treatments, it is shown how second-order spatial and temporal accuracy for the smooth part of the solutions can be maintained. Strategies to obtain steady state and time accurate solutions implicitly are discussed. The implicit and semi-implicit schemes require the solution of large linear systems containing the Jacobian matrix. The Jacobian matrix itself is calculated numerically to ensure the generality of this implementation. Three options are discussed in terms of applicability, storage requirements and computational efficiency. One option is the easily implemented matrix-free approach, but the Jacobian matrix can also be calculated by using a general grid masking algorithm, or by an efficient implementation for a specific Lax-Friedrich-type total variation diminishing (TVD) spatial discretization. The choice of the linear solver depends on the dimensionality of the problem. In one dimension, a direct block tridiagonal solver can be applied, while in more than one spatial dimension, a conjugate gradient (CG)-type iterative solver is used. For advection-dominated problems, preconditioning is needed to accelerate the convergence of the iterative schemes. The modified block incomplete LU-preconditioner is implemented, which performs very well. Examples from two-dimensional hydrodynamic and magnetohydrodynamic computations are given. They model transonic stellar outflow and recover the complex magnetohydrodynamic bow shock flow in the switch-on regime
Electricity storage using a thermal storage scheme
White, Alexander
2015-01-22
The increasing use of renewable energy technologies for electricity generation, many of which have an unpredictably intermittent nature, will inevitably lead to a greater demand for large-scale electricity storage schemes. For example, the expanding fraction of electricity produced by wind turbines will require either backup or storage capacity to cover extended periods of wind lull. This paper describes a recently proposed storage scheme, referred to here as Pumped Thermal Storage (PTS), and which is based on “sensible heat” storage in large thermal reservoirs. During the charging phase, the system effectively operates as a high temperature-ratio heat pump, extracting heat from a cold reservoir and delivering heat to a hot one. In the discharge phase the processes are reversed and it operates as a heat engine. The round-trip efficiency is limited only by process irreversibilities (as opposed to Second Law limitations on the coefficient of performance and the thermal efficiency of the heat pump and heat engine respectively). PTS is currently being developed in both France and England. In both cases, the schemes operate on the Joule-Brayton (gas turbine) cycle, using argon as the working fluid. However, the French scheme proposes the use of turbomachinery for compression and expansion, whereas for that being developed in England reciprocating devices are proposed. The current paper focuses on the impact of the various process irreversibilities on the thermodynamic round-trip efficiency of the scheme. Consideration is given to compression and expansion losses and pressure losses (in pipe-work, valves and thermal reservoirs); heat transfer related irreversibility in the thermal reservoirs is discussed but not included in the analysis. Results are presented demonstrating how the various loss parameters and operating conditions influence the overall performance.
Electricity storage using a thermal storage scheme
NASA Astrophysics Data System (ADS)
White, Alexander
2015-01-01
The increasing use of renewable energy technologies for electricity generation, many of which have an unpredictably intermittent nature, will inevitably lead to a greater demand for large-scale electricity storage schemes. For example, the expanding fraction of electricity produced by wind turbines will require either backup or storage capacity to cover extended periods of wind lull. This paper describes a recently proposed storage scheme, referred to here as Pumped Thermal Storage (PTS), and which is based on "sensible heat" storage in large thermal reservoirs. During the charging phase, the system effectively operates as a high temperature-ratio heat pump, extracting heat from a cold reservoir and delivering heat to a hot one. In the discharge phase the processes are reversed and it operates as a heat engine. The round-trip efficiency is limited only by process irreversibilities (as opposed to Second Law limitations on the coefficient of performance and the thermal efficiency of the heat pump and heat engine respectively). PTS is currently being developed in both France and England. In both cases, the schemes operate on the Joule-Brayton (gas turbine) cycle, using argon as the working fluid. However, the French scheme proposes the use of turbomachinery for compression and expansion, whereas for that being developed in England reciprocating devices are proposed. The current paper focuses on the impact of the various process irreversibilities on the thermodynamic round-trip efficiency of the scheme. Consideration is given to compression and expansion losses and pressure losses (in pipe-work, valves and thermal reservoirs); heat transfer related irreversibility in the thermal reservoirs is discussed but not included in the analysis. Results are presented demonstrating how the various loss parameters and operating conditions influence the overall performance.
Simple Numerical Schemes for the Korteweg-deVries Equation
C. J. McKinstrie; M. V. Kozlov
2000-12-01
Two numerical schemes, which simulate the propagation of dispersive non-linear waves, are described. The first is a split-step Fourier scheme for the Korteweg-de Vries (KdV) equation. The second is a finite-difference scheme for the modified KdV equation. The stability and accuracy of both schemes are discussed. These simple schemes can be used to study a wide variety of physical processes that involve dispersive nonlinear waves.
High-resolution schemes for hyperbolic conservation laws
NASA Technical Reports Server (NTRS)
Harten, A.
1982-01-01
A class of new explicit second order accurate finite difference schemes for the computation of weak solutions of hyperbolic conservation laws is presented. These highly nonlinear schemes are obtained by applying a nonoscillatory first order accurae scheme to an appropriately modified flux function. The so derived second order accurate schemes achieve high resolution while preserving the robustness of the original nonoscillatory first order accurate scheme.
Finite difference schemes for long-time integration
NASA Technical Reports Server (NTRS)
Haras, Zigo; Taasan, Shlomo
1993-01-01
Finite difference schemes for the evaluation of first and second derivatives are presented. These second order compact schemes were designed for long-time integration of evolution equations by solving a quadratic constrained minimization problem. The quadratic cost function measures the global truncation error while taking into account the initial data. The resulting schemes are applicable for integration times fourfold, or more, longer than similar previously studied schemes. A similar approach was used to obtain improved integration schemes.
A New Multisignature Scheme Using Re-Encryption Technique
NASA Astrophysics Data System (ADS)
Aboud, Sattar J.; Al-Fayoumi, Mohammed A.
Anew multisignature scheme using re-encryption technique based on the RSA algorithm is suggested what enhance version of Okamoto scheme. The suggested scheme results bit expansion in block length of the multisignature, but the bit size of the expansion is not larger than the number of signers irrespective of their modulus. In addition, the new scheme has no limitations in signing order and in fact is more efficient than the Okamoto scheme.
Arbitrated quantum signature scheme based on reusable key
NASA Astrophysics Data System (ADS)
Yu, ChaoHua; Guo, GongDe; Lin, Song
2014-11-01
An arbitrated quantum signature scheme without using entangled states is proposed. In the scheme, by employing a classical hash function and random numbers, the secret keys of signer and receiver can be reused. It is shown that the proposed scheme is secure against several well-known attacks. Specifically, it can stand against the receiver's disavowal attack. Moreover, compared with previous relevant arbitrated quantum signature schemes, the scheme proposed has the advantage of less transmission complexity.
NASA Astrophysics Data System (ADS)
Pérez, E.; Dueñas, S.; Castán, H.; García, H.; Bailón, L.; Montero, D.; García-Hernansanz, R.; García-Hemme, E.; Olea, J.; González-Díaz, G.
2015-12-01
The energy levels created in supersaturated n-type silicon substrates with titanium implantation in the attempt to create an intermediate band in their band-gap are studied in detail. Two titanium ion implantation doses (1013 cm-2 and 1014 cm-2) are studied in this work by conductance transient technique and admittance spectroscopy. Conductance transients have been measured at temperatures of around 100 K. The particular shape of these transients is due to the formation of energy barriers in the conduction band, as a consequence of the band-gap narrowing induced by the high titanium concentration. Moreover, stationary admittance spectroscopy results suggest the existence of different energy level configuration, depending on the local titanium concentration. A continuum energy level band is formed when titanium concentration is over the Mott limit. On the other hand, when titanium concentration is lower than the Mott limit, but much higher than the donor impurity density, a quasi-continuum energy level distribution appears. Finally, a single deep center appears for low titanium concentration. At the n-type substrate, the experimental results obtained by means of thermal admittance spectroscopy at high reverse bias reveal the presence of single levels located at around Ec-425 and Ec-275 meV for implantation doses of 1013 cm-2 and 1014 cm-2, respectively. At low reverse bias voltage, quasi-continuously distributed energy levels between the minimum of the conduction bands, Ec and Ec-450 meV, are obtained for both doses. Conductance transients detected at low temperatures reveal that the high impurity concentration induces a band gap narrowing which leads to the formation of a barrier in the conduction band. Besides, the relationship between the activation energy and the capture cross section values of all the energy levels fits very well to the Meyer-Neldel rule. As it is known, the Meyer-Neldel rule typically appears in processes involving multiple excitations, like
Pérez, E.; Dueñas, S.; Castán, H.; García, H.; Bailón, L.; Montero, D.; García-Hernansanz, R.; García-Hemme, E.; González-Díaz, G.; Olea, J.
2015-12-28
The energy levels created in supersaturated n-type silicon substrates with titanium implantation in the attempt to create an intermediate band in their band-gap are studied in detail. Two titanium ion implantation doses (10{sup 13 }cm{sup -2} and 10{sup 14 }cm{sup -2}) are studied in this work by conductance transient technique and admittance spectroscopy. Conductance transients have been measured at temperatures of around 100 K. The particular shape of these transients is due to the formation of energy barriers in the conduction band, as a consequence of the band-gap narrowing induced by the high titanium concentration. Moreover, stationary admittance spectroscopy results suggest the existence of different energy level configuration, depending on the local titanium concentration. A continuum energy level band is formed when titanium concentration is over the Mott limit. On the other hand, when titanium concentration is lower than the Mott limit, but much higher than the donor impurity density, a quasi-continuum energy level distribution appears. Finally, a single deep center appears for low titanium concentration. At the n-type substrate, the experimental results obtained by means of thermal admittance spectroscopy at high reverse bias reveal the presence of single levels located at around E{sub c}-425 and E{sub c}-275 meV for implantation doses of 10{sup 13 }cm{sup −2} and 10{sup 14 }cm{sup −2}, respectively. At low reverse bias voltage, quasi-continuously distributed energy levels between the minimum of the conduction bands, E{sub c} and E{sub c}-450 meV, are obtained for both doses. Conductance transients detected at low temperatures reveal that the high impurity concentration induces a band gap narrowing which leads to the formation of a barrier in the conduction band. Besides, the relationship between the activation energy and the capture cross section values of all the energy levels fits very well to the Meyer-Neldel rule. As it is known
Scheme for Quantum Computing Immune to Decoherence
NASA Technical Reports Server (NTRS)
Williams, Colin; Vatan, Farrokh
2008-01-01
A constructive scheme has been devised to enable mapping of any quantum computation into a spintronic circuit in which the computation is encoded in a basis that is, in principle, immune to quantum decoherence. The scheme is implemented by an algorithm that utilizes multiple physical spins to encode each logical bit in such a way that collective errors affecting all the physical spins do not disturb the logical bit. The scheme is expected to be of use to experimenters working on spintronic implementations of quantum logic. Spintronic computing devices use quantum-mechanical spins (typically, electron spins) to encode logical bits. Bits thus encoded (denoted qubits) are potentially susceptible to errors caused by noise and decoherence. The traditional model of quantum computation is based partly on the assumption that each qubit is implemented by use of a single two-state quantum system, such as an electron or other spin-1.2 particle. It can be surprisingly difficult to achieve certain gate operations . most notably, those of arbitrary 1-qubit gates . in spintronic hardware according to this model. However, ironically, certain 2-qubit interactions (in particular, spin-spin exchange interactions) can be achieved relatively easily in spintronic hardware. Therefore, it would be fortunate if it were possible to implement any 1-qubit gate by use of a spin-spin exchange interaction. While such a direct representation is not possible, it is possible to achieve an arbitrary 1-qubit gate indirectly by means of a sequence of four spin-spin exchange interactions, which could be implemented by use of four exchange gates. Accordingly, the present scheme provides for mapping any 1-qubit gate in the logical basis into an equivalent sequence of at most four spin-spin exchange interactions in the physical (encoded) basis. The complexity of the mathematical derivation of the scheme from basic quantum principles precludes a description within this article; it must suffice to report
NASA Astrophysics Data System (ADS)
Lyu, Lu; Niu, Dongmei; Xie, Haipeng; Cao, Ningtong; Zhang, Hong; Zhang, Yuhe; Liu, Peng; Gao, Yongli
2016-01-01
Combining ultraviolet photoemission spectroscopy, X-ray photoemission spectroscopy, atomic force microscopy, and X-ray diffraction measurements, we performed a systematic investigation on the correlation of energy level alignment, film growth, and molecular orientation of 2,7-diocty[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) on highly oriented pyrolytic graphite. The molecules lie down in the first layer and then stand up from the second layer. The ionization potential shows a sharp decrease from the lying down region to the standing up region. When C8-BTBT molecules start standing up, unconventional energy level band-bending-like shifts are observed as the film thickness increases. These shifts are ascribed to gradual decreasing of the molecular tilt angle about the substrate normal with the increasing film thickness.
Yu, Hua-Gen E-mail: dawesr@mst.edu; Ndengue, Steve; Dawes, Richard E-mail: dawesr@mst.edu; Li, Jun; Guo, Hua E-mail: dawesr@mst.edu
2015-08-28
Accurate vibrational energy levels of the simplest Criegee intermediate (CH{sub 2}OO) were determined on a recently developed ab initio based nine-dimensional potential energy surface using three quantum mechanical methods. The first is the iterative Lanczos method using a conventional basis expansion with an exact Hamiltonian. The second and more efficient method is the multi-configurational time-dependent Hartree (MCTDH) method in which the potential energy surface is refit to conform to the sums-of-products requirement of MCTDH. Finally, the energy levels were computed with a vibrational self-consistent field/virtual configuration interaction method in MULTIMODE. The low-lying levels obtained from the three methods are found to be within a few wave numbers of each other, although some larger discrepancies exist at higher levels. The calculated vibrational levels are very well represented by an anharmonic effective Hamiltonian.
How might a statistical cloud scheme be coupled to a mass-flux convection scheme?
Klein, Stephen A.; Pincus, Robert; Hannay, Cecile; Xu, Kuan-man
2004-09-27
The coupling of statistical cloud schemes with mass-flux convection schemes is addressed. Source terms representing the impact of convection are derived within the framework of prognostic equations for the width and asymmetry of the probability distribution function of total water mixing ratio. The accuracy of these source terms is quantified by examining output from a cloud resolving model simulation of deep convection. Practical suggestions for inclusion of these source terms in large-scale models are offered.
NASA Astrophysics Data System (ADS)
Melezhik, V. S.
2016-01-01
We study the asymptotic behavior of the wave function of the system of three Coulomb particles in the united-atom limit in the adiabatic representation of the three-body problem. This result is used to calculate the nuclear widths of muonic-molecule energy levels. We discuss features of the approach with regard to excited states of the muonic molecule ttµ with a nonzero orbital angular momentum.
NASA Astrophysics Data System (ADS)
Lee, U. H.; Jang, Y. D.; Lee, H.; Lee, D.; Kim, J. S.; Leem, J. Y.; Noh, S. K.
2003-04-01
We suggest a figure of merit for the zero dimensionality, which is the most important property in quantum dots (QD). QD samples emitting at longer wavelengths are turned out to have the larger energy level spacings between the ground and first excited states. The QDs have the stronger quantum effect likely due to the taller height and are closer to an ideal zero-dimensional system.
NASA Technical Reports Server (NTRS)
Johansson, Sveneric; Carpenter, Kenneth G.
1988-01-01
Two fluorescence processes operating in atmospheres of cool stars, symbiotic stars, and the Sun are presented. Two emission lines, at 1347.03 and 1360.17 A, are identified as fluorescence lines of Cr II and Fe II. The lines are due to transitions from highly excited levels, which are populated radiatively by the hydrogen Lyman alpha line due to accidental wavelength coincidences. Three energy levels, one in Cr II and two in Fe II, are reported.
Local discrimination scheme for some unitary operations
NASA Astrophysics Data System (ADS)
Cao, TianQing; Gao, Fei; Tian, GuoJing; Xie, ShuCui; Wen, QiaoYan
2016-09-01
It has been shown that for two different multipartite unitary operations U 1 and U 2, when tr( U 1 † U 2) = 0, they can always be perfectly distinguished by local operations and classical communication in the single-run scenario. However, how to find the detailed scheme to complete the local discrimination is still a fascinating problem. In this paper, aiming at some U 1 and U 2 acting on the bipartite and tripartite space respectively, especially for U 1 † U 2 locally unitary equivalent to the high dimensional X-type hermitian unitary matrix V with tr V = 0, we put forward the explicit local distinguishing schemes in the single-run scenario.
Trefftz difference schemes on irregular stencils
Tsukerman, Igor
2010-04-20
The recently developed Flexible Local Approximation MEthod (FLAME) produces accurate difference schemes by replacing the usual Taylor expansion with Trefftz functions - local solutions of the underlying differential equation. This paper advances and casts in a general form a significant modification of FLAME proposed recently by Pinheiro and Webb: a least-squares fit instead of the exact match of the approximate solution at the stencil nodes. As a consequence of that, FLAME schemes can now be generated on irregular stencils with the number of nodes substantially greater than the number of approximating functions. The accuracy of the method is preserved but its robustness is improved. For demonstration, the paper presents a number of numerical examples in 2D and 3D: electrostatic (magnetostatic) particle interactions, scattering of electromagnetic (acoustic) waves, and wave propagation in a photonic crystal. The examples explore the role of the grid and stencil size, of the number of approximating functions, and of the irregularity of the stencils.
NASA Astrophysics Data System (ADS)
Acker, F.; B. de R. Borges, R.; Costa, B.
2016-05-01
In this article, we show that for a WENO scheme to improve the numerical resolution of smooth waves, increasing to some extent the contribution of the substencils where the solution is less smooth is much more important than improving the accuracy at critical points. WENO-Z, for instance, achieved less dissipative results than classical WENO through the use of a high-order global smoothness measurement, τ, which increased the weights of less-smooth substencils. This time, we present a way of further increasing the relevance of less-smooth substencils by adding a new term to the WENO-Z weights that uses information which is already available in its formula. The improved scheme attains much better resolution at the smooth parts of the solution, while keeping the same numerical stability of the original WENO-Z at shocks and discontinuities.
A differential spin current detection scheme
NASA Astrophysics Data System (ADS)
Hemingway, Bryan; Appelbaum, Ian
2014-03-01
We offer an alternative scheme to detect spin polarization of conduction electrons injected into a nonmagnetic metal or degeneratively doped semiconductor using transport to two oppositely polarized ferromagnetic metal contacts. We show that, as in the well-known spin injection problem, detection efficiency can be amplified by the addition of spin-selective tunneling barriers. Considering the appropriate geometry and achievable injection rates, we estimate that the differential current can be as high as 1-10?nA for reasonable design parameters. We will also discuss the realization of this detection scheme in laboratory set-ups. ONR No. N000141110637, NSF Nos. ECCS0901941 and ECCS1231855, and DTRA No. HDTRA1-13-1-0013.
The Linear Bicharacteristic Scheme for Electromagnetics
NASA Technical Reports Server (NTRS)
Beggs, John H.
2001-01-01
The upwind leapfrog or Linear Bicharacteristic Scheme (LBS) has previously been implemented and demonstrated on electromagnetic wave propagation problems. This paper extends the Linear Bicharacteristic Scheme for computational electromagnetics to model lossy dielectric and magnetic materials and perfect electrical conductors. This is accomplished by proper implementation of the LBS for homogeneous lossy dielectric and magnetic media and for perfect electrical conductors. Heterogeneous media are modeled through implementation of surface boundary conditions and no special extrapolations or interpolations at dielectric material boundaries are required. Results are presented for one-dimensional model problems on both uniform and nonuniform grids, and the FDTD algorithm is chosen as a convenient reference algorithm for comparison. The results demonstrate that the explicit LBS is a dissipation-free, second-order accurate algorithm which uses a smaller stencil than the FDTD algorithm, yet it has approximately one-third the phase velocity error. The LBS is also more accurate on nonuniform grids.
A universal scheme for indirect quantum control
NASA Astrophysics Data System (ADS)
Layden, David; Martin-Martinez, Eduardo; Kempf, Achim
The goal of indirect quantum control is to coherently steer a quantum system solely by acting on a quantum actuator to which it is coupled. This approach to quantum control is convenient in many physical settings, as it allows one to avoid direct addressing of the system--and any associated difficulties--altogether. While it is known in principle that control of the actuator typically yields universal control of the system, the practical details of how such indirect control can be achieved are less clear. This deficiency has led to a number of implementation- and model-specific indirect control schemes, in lieu of a general recipe applicable to any physical setting. Here, we present such a recipe, in the form of an open-loop control scheme which implements arbitrary unitary operations on the system by exploiting open dynamics in the actuator. arXiv:1506.06749.
Multidimensional numerical scheme for resistive relativistic magnetohydrodynamics
NASA Astrophysics Data System (ADS)
Komissarov, Serguei S.
2007-12-01
The paper describes a new upwind conservative numerical scheme for special relativistic resistive magnetohydrodynamics with scalar resistivity. The magnetic field is kept approximately divergence free and the divergence of the electric field is kept consistent with the electric charge distribution via the method of Generalized Lagrange Multiplier. The hyperbolic fluxes are computed using the Harten-Lax-van Leer (HLL) prescription and the source terms are accounted via the time-splitting technique. The results of test simulations show that the scheme can handle equally well both resistive current sheets and shock waves, and thus can be a useful tool for studying phenomena of relativistic astrophysics that involve both colliding supersonic flows and magnetic reconnection.
Improving the accuracy of central difference schemes
NASA Technical Reports Server (NTRS)
Turkel, Eli
1988-01-01
General difference approximations to the fluid dynamic equations require an artificial viscosity in order to converge to a steady state. This artificial viscosity serves two purposes. One is to suppress high frequency noise which is not damped by the central differences. The second purpose is to introduce an entropy-like condition so that shocks can be captured. These viscosities need a coefficient to measure the amount of viscosity to be added. In the standard scheme, a scalar coefficient is used based on the spectral radius of the Jacobian of the convective flux. However, this can add too much viscosity to the slower waves. Hence, it is suggested that a matrix viscosity be used. This gives an appropriate viscosity for each wave component. With this matrix valued coefficient, the central difference scheme becomes closer to upwind biased methods.
Iterated upwind schemes for gas dynamics
Smolarkiewicz, Piotr K. Szmelter, Joanna
2009-01-10
A class of high-resolution schemes established in integration of anelastic equations is extended to fully compressible flows, and documented for unsteady (and steady) problems through a span of Mach numbers from zero to supersonic. The schemes stem from iterated upwind technology of the multidimensional positive definite advection transport algorithm (MPDATA). The derived algorithms employ standard and modified forms of the equations of gas dynamics for conservation of mass, momentum and either total or internal energy as well as potential temperature. Numerical examples from elementary wave propagation, through computational aerodynamics benchmarks, to atmospheric small- and large-amplitude acoustics with intricate wave-flow interactions verify the approach for both structured and unstructured meshes, and demonstrate its flexibility and robustness.
Multiple Access Schemes for Lunar Missions
NASA Technical Reports Server (NTRS)
Deutsch, Leslie; Hamkins, Jon; Stocklin, Frank J.
2010-01-01
Two years ago, the NASA Coding, Modulation, and Link Protocol (CMLP) study was completed. The study, led by the authors of this paper, recommended codes, modulation schemes, and desired attributes of link protocols for all space communication links in NASA's future space architecture. Portions of the NASA CMLP team were reassembled to resolve one open issue: the use of multiple access (MA) communication from the lunar surface. The CMLP-MA team analyzed and simulated two candidate multiple access schemes that were identified in the original CMLP study: Code Division MA (CDMA) and Frequency Division MA (FDMA) based on a bandwidth-efficient Continuous Phase Modulation (CPM) with a superimposed Pseudo-Noise (PN) ranging signal (CPM/PN). This paper summarizes the results of the analysis and simulation of the CMLP-MA study and describes the final recommendations.
A multivariable control scheme for robot manipulators
NASA Technical Reports Server (NTRS)
Tarokh, M.; Seraji, H.
1991-01-01
The article puts forward a simple scheme for multivariable control of robot manipulators to achieve trajectory tracking. The scheme is composed of an inner loop stabilizing controller and an outer loop tracking controller. The inner loop utilizes a multivariable PD controller to stabilize the robot by placing the poles of the linearized robot model at some desired locations. The outer loop employs a multivariable PID controller to achieve input-output decoupling and trajectory tracking. The gains of the PD and PID controllers are related directly to the linearized robot model by simple closed-form expressions. The controller gains are updated on-line to cope with variations in the robot model during gross motion and for payload change. Alternatively, the use of high gain controllers for gross motion and payload change is discussed. Computer simulation results are given for illustration.
The Scheme of Beam Synchronization in MEIC
Zhang, Yuhong; Derbenev, Yaroslav S.; Hutton, Andrew M.
2013-06-01
Synchronizing colliding beams at single or multiple collision points is a critical R&D issue in the design of a medium energy electron-ion collider (MEIC) at Jefferson Lab. The path-length variation due to changes in the ion energy, which varies over 20 to 100 GeV, could be more than several times the bunch spacing. The scheme adopted in the present MEIC baseline is centered on varying the number of bunches (i.e., harmonic number) stored in the collider ring. This could provide a set of discrete energies for proton or ions such that the beam synchronization condition is satisfied. To cover the ion energy between these synchronized values, we further propose to vary simultaneously the electron ring circumference and the frequency of the RF systems in both collider rings. We also present in this paper the requirement of frequency tunability of SRF cavities to support the scheme.
Wang, Xia; Kou, Dong-Xing; Zhou, Wen-Hui; Zhou, Zheng-Ji; Wu, Si-Xin; Cao, Xuan
2014-01-01
In this work, we employed a convenient one-step synthesis method for synthesizing Cu2ZnSnSe4 (CZTSe) nanocrystals (NCs) in an excess selenium environment. This excess selenium situation enhanced the reaction of metal acetylacetonates with selenium, resulting in the burst nucleation of NCs at relatively low temperatures. The phase morphology and surface and optoelectronic properties of NCs before and after ligand exchange were discussed in depth. It was found that pure tetragonal-phase structure CZTSe NCs with approximately 1.7-eV bandgap could be synthesized. The removal of large organic molecules on CZTSe NCs after ligand exchange by S(2-) decreased the resistivity. The bandgap of the films after ligand exchange by 550°C selenization was also decreased due to better crystallinity. For potential application in CZTSe solar cells, we constructed an energy level diagram to explain the mutual effect between the absorption layer and CdS layer. Using cyclic voltammetry (CV) measurement, we found that the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels of CZTSe films shifted down after ligand exchange. After energy level alignment at the CdS/CZTSe interface, a type I band alignment structure was more conveniently formed after ligand exchange. This structure acted as the barrier against injection electrons from ZnO to the CZTSe layer, and recombination would subsequently be depressed. PMID:24994951
2014-01-01
In this work, we employed a convenient one-step synthesis method for synthesizing Cu2ZnSnSe4 (CZTSe) nanocrystals (NCs) in an excess selenium environment. This excess selenium situation enhanced the reaction of metal acetylacetonates with selenium, resulting in the burst nucleation of NCs at relatively low temperatures. The phase morphology and surface and optoelectronic properties of NCs before and after ligand exchange were discussed in depth. It was found that pure tetragonal-phase structure CZTSe NCs with approximately 1.7-eV bandgap could be synthesized. The removal of large organic molecules on CZTSe NCs after ligand exchange by S2− decreased the resistivity. The bandgap of the films after ligand exchange by 550°C selenization was also decreased due to better crystallinity. For potential application in CZTSe solar cells, we constructed an energy level diagram to explain the mutual effect between the absorption layer and CdS layer. Using cyclic voltammetry (CV) measurement, we found that the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels of CZTSe films shifted down after ligand exchange. After energy level alignment at the CdS/CZTSe interface, a type I band alignment structure was more conveniently formed after ligand exchange. This structure acted as the barrier against injection electrons from ZnO to the CZTSe layer, and recombination would subsequently be depressed. PMID:24994951
Isolated energy level in the band gap of Yb2Si2O7 identified by electron energy-loss spectroscopy
NASA Astrophysics Data System (ADS)
Ogawa, Takafumi; Kobayashi, Shunsuke; Wada, Masashi; Fisher, Craig A. J.; Kuwabara, Akihide; Kato, Takeharu; Yoshiya, Masato; Kitaoka, Satoshi; Moriwake, Hiroki
2016-05-01
We report the detection of an isolated energy level in the band gap of crystalline Yb2Si2O7 in the low-energy-loss region of its electron energy-loss (EEL) spectrum, obtained using a monochromated scanning transmission electron microscope. The experimental results are corroborated by first-principles calculations of the theoretical EEL spectrum. The calculations reveal that unoccupied Yb 4 f orbitals constitute an isolated energy level about 1 eV below the conduction band minimum (CBM), resulting in a terrace about 1 eV wide at the band edge of the EEL spectrum. In the case of Yb2O3 , no band edge terrace is present because the unoccupied f level lies just below the CBM. We also examined optical absorption properties of Yb2Si2O7 using UV-vis diffuse reflectance spectroscopy, which shows that the isolated energy level could not be detected in the band edge of the obtained absorbance spectrum. These findings demonstrate the utility of low-loss EEL spectroscopy with high energy resolution for probing semilocalized electronic features.
An authentication scheme for secure access to healthcare services.
Khan, Muhammad Khurram; Kumari, Saru
2013-08-01
Last few decades have witnessed boom in the development of information and communication technologies. Health-sector has also been benefitted with this advancement. To ensure secure access to healthcare services some user authentication mechanisms have been proposed. In 2012, Wei et al. proposed a user authentication scheme for telecare medical information system (TMIS). Recently, Zhu pointed out offline password guessing attack on Wei et al.'s scheme and proposed an improved scheme. In this article, we analyze both of these schemes for their effectiveness in TMIS. We show that Wei et al.'s scheme and its improvement proposed by Zhu fail to achieve some important characteristics necessary for secure user authentication. We find that security problems of Wei et al.'s scheme stick with Zhu's scheme; like undetectable online password guessing attack, inefficacy of password change phase, traceability of user's stolen/lost smart card and denial-of-service threat. We also identify that Wei et al.'s scheme lacks forward secrecy and Zhu's scheme lacks session key between user and healthcare server. We therefore propose an authentication scheme for TMIS with forward secrecy which preserves the confidentiality of air messages even if master secret key of healthcare server is compromised. Our scheme retains advantages of Wei et al.'s scheme and Zhu's scheme, and offers additional security. The security analysis and comparison results show the enhanced suitability of our scheme for TMIS. PMID:23828650
Automatic-repeat-request error control schemes
NASA Technical Reports Server (NTRS)
Lin, S.; Costello, D. J., Jr.; Miller, M. J.
1983-01-01
Error detection incorporated with automatic-repeat-request (ARQ) is widely used for error control in data communication systems. This method of error control is simple and provides high system reliability. If a properly chosen code is used for error detection, virtually error-free data transmission can be attained. Various types of ARQ and hybrid ARQ schemes, and error detection using linear block codes are surveyed.
The Emergent Universe scheme and tunneling
Labraña, Pedro
2014-07-23
We present an alternative scheme for an Emergent Universe scenario, developed previously in Phys. Rev. D 86, 083524 (2012), where the universe is initially in a static state supported by a scalar field located in a false vacuum. The universe begins to evolve when, by quantum tunneling, the scalar field decays into a state of true vacuum. The Emergent Universe models are interesting since they provide specific examples of non-singular inflationary universes.
Classification schemes for dental school libraries.
McMaugh, D R
1979-12-01
The provision of an efficient and acceptable library system for the dental literature is examined. It is suggested that an index to the dental literature is best provided by a combination of Index Medicus and Medical Subject Headings. The Library of Congress scheme would be best for an autonomous dental school and, where a dental school library is provided by a large medical library, the National Library of Medicine Classification would be suitable for dental student use. PMID:395935
Evolutionary Algorithm for Optimal Vaccination Scheme
NASA Astrophysics Data System (ADS)
Parousis-Orthodoxou, K. J.; Vlachos, D. S.
2014-03-01
The following work uses the dynamic capabilities of an evolutionary algorithm in order to obtain an optimal immunization strategy in a user specified network. The produced algorithm uses a basic genetic algorithm with crossover and mutation techniques, in order to locate certain nodes in the inputted network. These nodes will be immunized in an SIR epidemic spreading process, and the performance of each immunization scheme, will be evaluated by the level of containment that provides for the spreading of the disease.
Development of new flux splitting schemes
NASA Technical Reports Server (NTRS)
Liou, MENG-S.; Steffen, Christopher J., Jr.
1991-01-01
Maximizing both accuracy and efficiency has been the primary objective in designing a numerical algorithm for CFD. This is especially important for solution of complex three-dimensional systems of Navier-Stokes equations which often include turbulence modeling and chemistry effects. Recently, upwind schemes have been well received for both their capability of resolving discontinuities and their sound theoretical basis in characteristic theory for hyperbolic systems. With this in mind, two new flux splitting techniques are presented for upwind differencing.
Cryptanalysis of Quantum Blind Signature Scheme
NASA Astrophysics Data System (ADS)
Zuo, Huijuan
2013-01-01
In this paper, we study the cryptanalysis of two quantum blind signature schemes and one quantum proxy blind signature protocol. We show that in these protocols the verifier can forge the signature under known message attack. The attack strategies are described in detail respectively. This kind of problem deserves more research attention in the following related study. We further point out that the arbitrator should be involved in the procedure of any dispute and some discussions of these protocols are given.
Novel transmit protection scheme for ultrasound systems.
Fuller, Michael I; Blalock, Travis N; Hossack, John A; Walker, William F
2007-01-01
The problem of protecting or isolating extremely sensitive receive circuitry from high-voltage transmit circuitry is commonly addressed through the use of diode bridges, transformers, or high-voltage switches, which prove to be prohibitively expensive, bulky, and power consuming for use in portable, low-cost, battery-powered systems. These approaches also compound the interconnect difficulties associated with two-dimensional (2-D) transducer arrays. In this paper we present a novel transmit protection scheme that allows compact MOSFET shunting devices to be brought on-chip within each receive channel implemented in a standard CMOS integrated circuit process. During transmit, the high voltage transmit pulse is driven onto the common connection of the transducer array and the on-chip MOSFET devices shunt the current to ground. During receive, these devices are turned off, the common connection of the transducer array is shunted to ground, and the received echo can be detected as usual. The transmit protection scheme was experimentally shown to shunt a 16 mA peak current resulting from the equivalent of a 100-V, 25-ns-risetime transmit pulse through a 4 pF transducer element. The scheme was also incorporated into a prototype 1024-channel, low-cost, ultrasound system successfully used to form pulse echo images. PMID:17225802
Thermal analysis finds optimum FCCU revamp scheme
Aguilar-Rodriquez, E.; Ortiz-Estrada, C.; Aguilera-Lopez, M. )
1994-11-07
The 25,000 b/d fluid catalytic cracking unit (FCCU) at Petroleos Mexicanos' idle Azcapotzalco refinery near Mexico City has been relocated to Pemex's 235,000 b/d Cadereyta refinery. The results of a thermal-integration analysis are being used to revamp the unit and optimize its vapor-recovery scheme. For the case of the Azcapotzalco FCCU, the old unit was designed in the 1950s, so modifications to the reactor/regenerator section incorporate many important changes, including a new riser, feed nozzles, cyclones, air distributor, and other internals. For the new scheme, the analysis was based on the following restrictions: (1) Two cases concerning gas oil feed conditions must be met. In the hot-feed case, feed is introduced from a processing unit outside battery limits (OSBL) at 188 C. For the cold-feed case, feed is introduced from OSBL from storage tanks at 70 C. (2) No new fire heaters are to be installed. (3) Existing equipment must be reused whenever possible. The paper describes and analyzes three alternative schemes.
Cooperative medical schemes in contemporary rural China.
Feng, X; Tang, S; Bloom, G; Segall, M; Gu, Y
1995-10-01
Improvements in rural health care in China in the 1950s, 1960s and 1970s were largely due to the development of cooperative medical schemes (CMSs) and the establishment of a three-tier rural health network. Since the economic reforms were instituted in the late 1970s, the financing and delivery of rural health services have seen many changes, some positive, others not. Most CMSs have collapsed. In the absence of CMSs, the rural population has to pay for health care out-of-pocket and poor families have greater difficulty in getting access to essential health care. In the meantime, emphases of health services have tended to shift from lower to higher levels, from preventive to curative services, and from planning and management to market forces. This paper outlines the evolution of CMSs, reasons for their collapse, and their likely impact on rural health services. The main focus is on the development of a new generation of rural cooperative health care schemes, given their importance in the process of consolidating the rural three-tier health network after the impact of the economic reforms: the characteristics of some schemes, the apparent conditions for success, and government policy towards the development of cooperative health care financing are presented. PMID:8578334
An Enhanced Secure Authentication Scheme with Anonymity for Wireless Environments
NASA Astrophysics Data System (ADS)
Jeon, Woongryul; Kim, Jeeyeon; Nam, Junghyun; Lee, Youngsook; Won, Dongho
As anonymity increasingly becomes a necessary and legitimate aim in many applications, a number of anonymous authentication schemes have been suggested over the years. Among the many schemes is Lee and Kwon's password-based authentication scheme for wireless environments. Compared with previous schemes, Lee and Kwon's scheme not only improves anonymity by employing random temporary IDs but also provides user-friendliness by allowing human-memorable passwords. In this letter, we point out that Lee and Kwon's scheme, despite its many merits, is vulnerable to off-line password guessing attacks and a forgery attack. In addition, we show how to eliminate these vulnerabilities.
NASA Astrophysics Data System (ADS)
Mikhailenko, S. N.; Leshchishina, O.; Karlovets, E. V.; Mondelain, D.; Kassi, S.; Campargue, A.
2016-07-01
The room temperature absorption spectrum of water vapor highly enriched in 17O has been recorded by Cavity Ring Down Spectroscopy (CRDS) between 5850 and 6671 cm-1. Two series of recordings were performed with pressure values of 1.0 and 12.0 Torr. The investigated spectral region corresponds to the important 1.55 μm transparency window of the atmosphere where water absorption is very weak. The high sensitivity of the recordings (αmin ~ 5×10-11 cm-1) allows detecting lines with intensity spanning six orders of magnitude (1.4×10-30-3.6×10-24 cm/molecule at room temperature). The experimental list includes more than 10,300 lines. The assignments of water lines were performed using known experimental energy levels as well as calculated line lists based on the results of Partridge and Schwenke. More than 8500 lines were assigned to 9619 transitions of six water isotopologues (H216O, H217O, H218O, HD16O, HD17O and HD18O). All but four transitions of the 16O and 18O isotopologues were assigned using known experimental energy levels. More than half of the assigned H217O and HD17O transitions correspond to new (or corrected) upper energy levels. About 1000 new H217O transitions associated with upper states of the second triad and of the ﬁrst hexad were identiﬁed. Most of the newly assigned HD17O transitions belong to the ν1+ν3 and 2ν2+ν3 bands. The assigned transitions allowed to newly determine or correct 20 highly excited rotational levels of the vibrational ground state of this isotopologue. Overall 791 and 266 energy levels are newly determined for H217O and HD17O, respectively. A few additional levels were corrected compared to literature values. The obtained experimental results are compared to the spectroscopic parameters provided by the HITRAN database and to the empirical energy levels recommended by an IUPAC task group.
Uncertainty of Microphysics Schemes in CRMs
NASA Astrophysics Data System (ADS)
Tao, W. K.; van den Heever, S. C.; Wu, D.; Saleeby, S. M.; Lang, S. E.
2015-12-01
Microphysics is the framework through which to understand the links between interactive aerosol, cloud and precipitation processes. These processes play a critical role in the water and energy cycle. CRMs with advanced microphysics schemes have been used to study the interaction between aerosol, cloud and precipitation processes at high resolution. But, there are still many uncertainties associated with these microphysics schemes. This has arisen, in part, from the fact microphysical processes cannot be measured directly; instead, cloud properties, which can be measured, are and have been used to validate model results. The utilization of current and future global high-resolution models is rapidly increasing and are at what has been traditional CRM resolutions and are using microphysics schemes that were developed in traditional CRMs. A potential NASA satellite mission called the Cloud and Precipitation Processes Mission (CaPPM) is currently being planned for submission to the NASA Earth Science Decadal Survey. This mission could provide the necessary global estimates of cloud and precipitation properties with which to evaluate and improve dynamical and microphysical parameterizations and the feedbacks. In order to facilitate the development of this mission, CRM simulations have been conducted to identify microphysical processes responsible for the greatest uncertainties in CRMs. In this talk, we will present results from numerical simulations conducted using two CRMs (NU-WRF and RAMS) with different dynamics, radiation, land surface and microphysics schemes. Specifically, we will conduct sensitivity tests to examine the uncertainty of the some of the key ice processes (i.e. riming, melting, freezing and shedding) in these two-microphysics schemes. The idea is to quantify how these two different models' respond (surface rainfall and its intensity, strength of cloud drafts, LWP/IWP, convective-stratiform-anvil area distribution) to changes of these key ice
Iung, Christophe; Ribeiro, Fabienne
2005-11-01
We present the efficiency of a new modified Davidson scheme which yields selectively one high-energy vibrationally excited eigenstate or a series of eigenstates. The calculation of a highly vibrationally excited state psi located in a dense part of the spectrum requires a specific prediagonalization step before the Davidson scheme. It consists in building a small active space P containing the zero-order states which are coupled with the zero-order description of the eigenstate of interest. We propose a general way to define this active space P which plays a crucial role in the method. The efficiency of the method is illustrated by computing and analyzing the high-energy excited overtones of the out-of-plane mode [formula: see text] in HFCO. These overtone energies correspond to the 234th, 713th, and 1774th energy levels in our reference basis set which contains roughly 140,000 states. One of the main advantages of this Davidson scheme comes from the fact that the eigenstate and eigenvalue convergence can be assessed during the iterations by looking at the residual [formula: see text]. The maximum value epsilon allowed for this residual constitutes a very sensitive and efficient parameter which sets the accuracy of the eigenvalues and eigenstates, even when the studied states are highly excited and are localized in a dense part of the spectrum. The physical analysis of the eigenstates associated with the 5th, 7th, and 9th out-of-plane overtones in HFCO provides some interesting information on the energy localization in this mode and on the role played by the in-plane modes. Also, it provides some ideas on the numerical methods which should be developed in the future to tackle higher-energy excited states in polyatomics. PMID:16375515
Minimal dissipation hybrid bicompact schemes for hyperbolic equations
NASA Astrophysics Data System (ADS)
Bragin, M. D.; Rogov, B. V.
2016-06-01
New monotonicity-preserving hybrid schemes are proposed for multidimensional hyperbolic equations. They are convex combinations of high-order accurate central bicompact schemes and upwind schemes of first-order accuracy in time and space. The weighting coefficients in these combinations depend on the local difference between the solutions produced by the high- and low-order accurate schemes at the current space-time point. The bicompact schemes are third-order accurate in time, while having the fourth order of accuracy and the first difference order in space. At every time level, they can be solved by marching in each spatial variable without using spatial splitting. The upwind schemes have minimal dissipation among all monotone schemes constructed on a minimum space-time stencil. The hybrid schemes constructed has been successfully tested as applied to a number of two-dimensional gas dynamics benchmark problems.
Multidimensional explicit difference schemes for hyperbolic conservation laws
NASA Technical Reports Server (NTRS)
Vanleer, B.
1983-01-01
First and second order explicit difference schemes are derived for a three dimensional hyperbolic system of conservation laws, without recourse to dimensional factorization. All schemes are upwind (backward) biased and optimally stable.
Multidimensional explicit difference schemes for hyperbolic conservation laws
NASA Technical Reports Server (NTRS)
Van Leer, B.
1984-01-01
First- and second-order explicit difference schemes are derived for a three-dimensional hyperbolic system of conservation laws, without recourse to dimensional factorization. All schemes are upwind biased and optimally stable.
Scheme and Schema in Children's Memory of Their Own Drawings
ERIC Educational Resources Information Center
Stacey, John T.; Ross, Bruce M.
1975-01-01
Investigated Piaget's distinction between the roles of scheme and schema in memory. Proposed that schemas may vary within wide limits while the underlying schemes from which the schemas stem remain stable. Subjects were 78, 6-year-old children. (SDH)
Parallelization of implicit finite difference schemes in computational fluid dynamics
NASA Technical Reports Server (NTRS)
Decker, Naomi H.; Naik, Vijay K.; Nicoules, Michel
1990-01-01
Implicit finite difference schemes are often the preferred numerical schemes in computational fluid dynamics, requiring less stringent stability bounds than the explicit schemes. Each iteration in an implicit scheme involves global data dependencies in the form of second and higher order recurrences. Efficient parallel implementations of such iterative methods are considerably more difficult and non-intuitive. The parallelization of the implicit schemes that are used for solving the Euler and the thin layer Navier-Stokes equations and that require inversions of large linear systems in the form of block tri-diagonal and/or block penta-diagonal matrices is discussed. Three-dimensional cases are emphasized and schemes that minimize the total execution time are presented. Partitioning and scheduling schemes for alleviating the effects of the global data dependencies are described. An analysis of the communication and the computation aspects of these methods is presented. The effect of the boundary conditions on the parallel schemes is also discussed.
The Pharmaceutical Benefits Scheme 2003-2004.
Harvey, Ken J
2005-01-12
The Pharmaceutical Benefits Scheme (PBS) grew by 8% in 2003-04; a slower rate than the 12.0% pa average growth over the last decade. Nevertheless, the sustainability of the Scheme remained an ongoing concern given an aging population and the continued introduction of useful (but increasingly expensive) new medicines. There was also concern that the Australia-United States Free Trade Agreement could place further pressure on the Scheme. In 2003, as in 2002, the government proposed a 27% increase in PBS patient co-payments and safety-net thresholds in order to transfer more of the cost of the PBS from the government to consumers. While this measure was initially blocked by the Senate, the forthcoming election resulted in the Labor Party eventually supporting this policy. Recommendations of the Pharmaceutical Benefits Advisory Committee to list, not list or defer a decision to list a medicine on the PBS were made publicly available for the first time and the full cost of PBS medicines appeared on medicine labels if the price was greater than the co-payment. Pharmaceutical reform in Victorian public hospitals designed to minimise PBS cost-shifting was evaluated and extended to other States and Territories. Programs promoting the quality use of medicines were further developed coordinated by the National Prescribing Service, Australian Divisions of General Practice and the Pharmacy Guild of Australia. The extensive uptake of computerised prescribing software by GPs produced benefits but also problems. The latter included pharmaceutical promotion occurring at the time of prescribing, failure to incorporate key sources of objective therapeutic information in the software and gross variation in the ability of various programs to detect important drug-drug interactions. These issues remain to be tackled. PMID:15679896
A new optical scheme for teleportation of entangled coherent state
NASA Astrophysics Data System (ADS)
Liao, Jie-Qiao; Kuang, Le-Man
2006-10-01
We propose a nearly perfect optical scheme for the quantum teleportation of entangled coherent states using optical devices such as nonlinear Kerr media, beam splitters, phase shifters, and photon detectors. Different from those previous schemes, our scheme needs only ``yes'' or `no' measurements of the photon number of the related modes, i.e. nonzero- and zero-photon measurements, while in previous schemes one has to exactly identify the even or odd parity character of the photon numbers detected by detectors.
Connection Between the Lattice Boltzmann Equation and the Beam Scheme
NASA Technical Reports Server (NTRS)
Xu, Kun; Luo, Li-Shi
1999-01-01
In this paper we analyze and compare the lattice Boltzmann equation with the beam scheme in details. We notice the similarity and differences between the lattice Boltzmann equation and the beam scheme. We show that the accuracy of the lattice Boltzmann equation is indeed second order in space. We discuss the advantages and limitations of lattice Boltzmann equation and the beam scheme. Based on our analysis, we propose an improved multi-dimensional beam scheme.
Dually-Perturbed Matsumoto-Imai Signature (DPMS) Scheme
NASA Astrophysics Data System (ADS)
Gotaishi, Masahito; Tadaki, Kohtaro; Fujita, Ryo; Tsujii, Shigeo
A new signature scheme of MPKC is proposed. It is created by perturbing a traditional encryption scheme in two ways. The proposed perturbation polynomials successfully reinforce the Matsumoto-Imai cryptosystem This new signature scheme has a structure very difficult to cryptanalyze. Along with the security against algebraic attacks, its security against existing attacks is discussed. The experimental data imply that the scheme can create a both lightweight and secure signature system.
Rabi resonances in the {lambda} excitation scheme
Godone, Aldo; Micalizio, Salvatore; Levi, Filippo
2002-12-01
We consider the interaction of a three-level system with phase-modulated resonant fields in the {lambda} excitation scheme. We treat theoretically the case of a sinusoidal phase modulation, a phase step perturbation, and a stochastic phase modulation. The appearance of a Rabi resonance both in the spectrum of the optical transmitted signal (electromagnetically induced transparency) and in the spectrum of the microwave emission (coherent population trapping maser) is considered in detail. All the theoretical results are compared with the analogous ones reported for the two-level system and with our experimental observations obtained for the case of rubidium in a buffer gas.
A numerical scheme for ionizing shock waves
Aslan, Necdet . E-mail: naslan@yeditepe.edu.tr; Mond, Michael
2005-12-10
A two-dimensional (2D) visual computer code to solve the steady state (SS) or transient shock problems including partially ionizing plasma is presented. Since the flows considered are hypersonic and the resulting temperatures are high, the plasma is partially ionized. Hence the plasma constituents are electrons, ions and neutral atoms. It is assumed that all the above species are in thermal equilibrium, namely, that they all have the same temperature. The ionization degree is calculated from Saha equation as a function of electron density and pressure by means of a nonlinear Newton type root finding algorithms. The code utilizes a wave model and numerical fluctuation distribution (FD) scheme that runs on structured or unstructured triangular meshes. This scheme is based on evaluating the mesh averaged fluctuations arising from a number of waves and distributing them to the nodes of these meshes in an upwind manner. The physical properties (directions, strengths, etc.) of these wave patterns are obtained by a new wave model: ION-A developed from the eigen-system of the flux Jacobian matrices. Since the equation of state (EOS) which is used to close up the conservation laws includes electronic effects, it is a nonlinear function and it must be inverted by iterations to determine the ionization degree as a function of density and temperature. For the time advancement, the scheme utilizes a multi-stage Runge-Kutta (RK) algorithm with time steps carefully evaluated from the maximum possible propagation speed in the solution domain. The code runs interactively with the user and allows to create different meshes to use different initial and boundary conditions and to see changes of desired physical quantities in the form of color and vector graphics. The details of the visual properties of the code has been published before (see [N. Aslan, A visual fluctuation splitting scheme for magneto-hydrodynamics with a new sonic fix and Euler limit, J. Comput. Phys. 197 (2004) 1
A differential spin current detection scheme
NASA Astrophysics Data System (ADS)
Hemingway, Bryan; Appelbaum, Ian
2013-09-01
We provide detailed calculations for modeling an alternative scheme to detect spin polarization of conduction electrons injected into a nonmagnetic metal or degeneratively doped semiconductor using transport to two oppositely polarized ferromagnetic metal contacts. We show that, as in the well-known spin injection problem, detection efficiency can be amplified by the addition of spin-selective tunneling barriers. Considering the appropriate geometry and achievable injection rates, we estimate that the differential current can be as high as 1-10 nA for reasonable design parameters.
A Classification Scheme for Glaciological AVA Responses
NASA Astrophysics Data System (ADS)
Booth, A.; Emir, E.
2014-12-01
A classification scheme is proposed for amplitude vs. angle (AVA) responses as an aid to the interpretation of seismic reflectivity in glaciological research campaigns. AVA responses are a powerful tool in characterising the material properties of glacier ice and its substrate. However, before interpreting AVA data, careful true amplitude processing is required to constrain basal reflectivity and compensate amplitude decay mechanisms, including anelastic attenuation and spherical divergence. These fundamental processing steps can be difficult to design in cases of noisy data, e.g. where a target reflection is contaminated by surface wave energy (in the case of shallow glaciers) or by energy reflected from out of the survey plane. AVA methods have equally powerful usage in estimating the fluid fill of potential hydrocarbon reservoirs. However, such applications seldom use true amplitude data and instead consider qualitative AVA responses using a well-defined classification scheme. Such schemes are often defined in terms of the characteristics of best-fit responses to the observed reflectivity, e.g. the intercept (I) and gradient (G) of a linear approximation to the AVA data. The position of the response on a cross-plot of I and G then offers a diagnostic attribute for certain fluid types. We investigate the advantages in glaciology of emulating this practice, and develop a cross-plot based on the 3-term Shuey AVA approximation (using I, G, and a curvature term C). Model AVA curves define a clear lithification trend: AVA responses to stiff (lithified) substrates fall discretely into one quadrant of the cross-plot, with positive I and negative G, whereas those to fluid-rich substrates plot diagonally opposite (in the negative I and positive G quadrant). The remaining quadrants are unoccupied by plausible single-layer responses and may therefore be diagnostic of complex thin-layer reflectivity, and the magnitude and polarity of the C term serves as a further indicator
Numerical Schemes for Rough Parabolic Equations
Deya, Aurelien
2012-04-15
This paper is devoted to the study of numerical approximation schemes for a class of parabolic equations on (0,1) perturbed by a non-linear rough signal. It is the continuation of Deya (Electron. J. Probab. 16:1489-1518, 2011) and Deya et al. (Probab. Theory Relat. Fields, to appear), where the existence and uniqueness of a solution has been established. The approach combines rough paths methods with standard considerations on discretizing stochastic PDEs. The results apply to a geometric 2-rough path, which covers the case of the multidimensional fractional Brownian motion with Hurst index H>1/3.
Recent developments in shock-capturing schemes
NASA Technical Reports Server (NTRS)
Harten, Ami
1991-01-01
The development of the shock capturing methodology is reviewed, paying special attention to the increasing nonlinearity in its design and its relation to interpolation. It is well-known that higher-order approximations to a discontinuous function generate spurious oscillations near the discontinuity (Gibbs phenomenon). Unlike standard finite-difference methods which use a fixed stencil, modern shock capturing schemes use an adaptive stencil which is selected according to the local smoothness of the solution. Near discontinuities this technique automatically switches to one-sided approximations, thus avoiding the use of discontinuous data which brings about spurious oscillations.
Level-scheme investigation of 33S
NASA Astrophysics Data System (ADS)
Gavrilov, G. Tz; Goutev, N.; Dimitrov, B. I.; Tonev, D.; Petkov, P.; de Angelis, G.; Recchia, F.; Farnea, E.; Ur, C. A.; Aydin, S.; Bizzeti, P. G.; Bizzeti-Sona, A. M.; Deloncle, I.; Gottardo, A.; Laftchiev, H.; Lunardi, S.; Mengoni, D.; Michelangoli, C.; Napoli, D. R.; Orlandi, R.; Sahin, E.; Stefanova, E. A.; Valente-Dobon, J. J.; Marinov, Tz K.; Yavahchova, M. S.
2014-09-01
An angular correlation experiment was carried out for 33 S at Laboratori Nazionali di Legnaro with the gamma-ray detector array GASP. The reaction used was 24Mg(14N,α p)33S at a beam energy of 40MeV. An analysis of DCO ratios and triple gamma coincidences was performed. So far, a new level depopulated by 3 γ -ray transitions has been found and its spin was determined. The work for further extension of the level scheme is in progress.
Investigation of a monochromator scheme for SPEAR
Wille, K.; Chao, A.W.
1984-08-01
The possibility of mono-chromatizing SPEAR for the purpose of increasing the hadronic event rate at the narrow resonances was investigated. By using two pairs of electostatic skew quads in monochromator scheme it is found that the event rate can be increased by a factor of 2 for the mini beta optics assuming the luminosity is kept unchanged. An attempt to increase this enhancement factor by major rearrangements of the ring magnets has encountered serious optical difficulties; although enhancement factor of 8 seems possible in principle, this alternative is not recommended.
Secure Biometric E-Voting Scheme
NASA Astrophysics Data System (ADS)
Ahmed, Taha Kh.; Aborizka, Mohamed
The implementation of the e-voting becomes more substantial with the rapid increase of e-government development. The recent growth in communications and cryptographic techniques facilitate the implementation of e-voting. Many countries introduced e-voting systems; unfortunately most of these systems are not fully functional. In this paper we will present an e-voting scheme that covers most of the e-voting requirements, smart card and biometric recognition technology were implemented to guarantee voter's privacy and authentication.
Cosmological SUSY Breaking and the Pyramid Scheme
NASA Astrophysics Data System (ADS)
Banks, Tom
2014-12-01
I review the ideas of holographic space-time (HST), Cosmological SUSY breaking (CSB), and the Pyramid Schemes, which are the only known models of Tera-scale physics consistent with CSB, current particle data, and gauge coupling unification. There is considerable uncertainty in the estimate of the masses of supersymmetric partners of the standard model particles, but the model predicts that the gluino is probably out of reach of the LHC, squarks may be in reach, and the NLSP is a right handed slepton, which should be discovered soon.
Cosmological SUSY breaking and the pyramid scheme
NASA Astrophysics Data System (ADS)
Banks, Tom
2015-04-01
I review the ideas of holographic spacetime (HST), cosmological SUSY breaking (CSB), and the Pyramid Schemes, which are the only known models of Tera-scale physics consistent with CSB, current particle data, and gauge coupling unification. There is considerable uncertainty in the estimate of the masses of supersymmetric partners of the Standard Model particles, but the model predicts that the gluino is probably out of reach of the LHC, squarks may be in reach, and the NLSP is a right-handed slepton, which should be discovered soon.
A new lossless digital image encryption scheme
NASA Astrophysics Data System (ADS)
Pareek, Narendra K.; Patidar, Vinod; Sud, Krishan K.
2011-12-01
We propose a new lossless digital image encryption scheme based on the permutation and substitution architecture. Initially, original image is divided into squared sub-images and then three layers of pixels corresponding to additive primary colours (RGB) of each sub-image are separated. Each layer of pixels of squared sub-images are scrambled by three different ways in the permutation process whereas a simple arithmetic, mainly sorting and differencing, is performed on each layer of pixels to achieve the substitution. The results of several experiments show that the proposed image cipher provides an efficient way for image encryption with high decryption rate.
A Uniform Indexing Scheme for Object-Oriented Databases.
ERIC Educational Resources Information Center
Gudes, Ehud
1997-01-01
Performance is a critical factor hindering the use of object-oriented databases (OODB). This article proposes a new and uniform indexing scheme for enhancing OODBs with advantages for small range, clustered sets queries. Reviews several other indexing schemes; presents the U-index scheme; discusses its performance; and presents experimental…
30 CFR 75.900-2 - Approved circuit schemes.
Code of Federal Regulations, 2011 CFR
2011-07-01
... 30 Mineral Resources 1 2011-07-01 2011-07-01 false Approved circuit schemes. 75.900-2 Section 75... Alternating Current Circuits § 75.900-2 Approved circuit schemes. The following circuit schemes will be regarded as providing the necessary protection to the circuit required by § 75.900: (a) Ground check...
30 CFR 75.900-2 - Approved circuit schemes.
Code of Federal Regulations, 2013 CFR
2013-07-01
... 30 Mineral Resources 1 2013-07-01 2013-07-01 false Approved circuit schemes. 75.900-2 Section 75... Alternating Current Circuits § 75.900-2 Approved circuit schemes. The following circuit schemes will be regarded as providing the necessary protection to the circuit required by § 75.900: (a) Ground check...
30 CFR 75.900-2 - Approved circuit schemes.
Code of Federal Regulations, 2014 CFR
2014-07-01
... 30 Mineral Resources 1 2014-07-01 2014-07-01 false Approved circuit schemes. 75.900-2 Section 75... Alternating Current Circuits § 75.900-2 Approved circuit schemes. The following circuit schemes will be regarded as providing the necessary protection to the circuit required by § 75.900: (a) Ground check...
30 CFR 75.900-2 - Approved circuit schemes.
Code of Federal Regulations, 2010 CFR
2010-07-01
... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Approved circuit schemes. 75.900-2 Section 75... Alternating Current Circuits § 75.900-2 Approved circuit schemes. The following circuit schemes will be regarded as providing the necessary protection to the circuit required by § 75.900: (a) Ground check...
30 CFR 75.900-2 - Approved circuit schemes.
Code of Federal Regulations, 2012 CFR
2012-07-01
... 30 Mineral Resources 1 2012-07-01 2012-07-01 false Approved circuit schemes. 75.900-2 Section 75... Alternating Current Circuits § 75.900-2 Approved circuit schemes. The following circuit schemes will be regarded as providing the necessary protection to the circuit required by § 75.900: (a) Ground check...
A quantum identification scheme based on polarization modulation
NASA Astrophysics Data System (ADS)
He, Guang-Qiang; Zeng, Gui-Hua
2005-03-01
A quantum identification scheme including registration and identification phases is proposed. The users' passwords are transmitted by qubit string and recorded as a set of quantum operators. The security of the proposed scheme is guaranteed by the no-cloning theorem. Based on photon polarization modulation, an experimental approach is also designed to implement our proposed scheme.
Taxonomic scheme for the identification of marine bacteria
NASA Astrophysics Data System (ADS)
Oliver, James D.
1982-06-01
A recently developed taxonomic scheme for the identification of marine bacteria is presented. The scheme is based on numerous reviews and monographs on marine bacteria, as well as Bergey's Manual of Determinative Bacteriology. While fairly extensive, the scheme is designed to identify marine bacteria using relatively few tests.
33 CFR 83.10 - Traffic separation schemes (Rule 10).
Code of Federal Regulations, 2014 CFR
2014-07-01
... 33 Navigation and Navigable Waters 1 2014-07-01 2014-07-01 false Traffic separation schemes (Rule... Visibility § 83.10 Traffic separation schemes (Rule 10). (a) Obligations under other Rules unaffected. This Rule applies to traffic separation schemes and does not relieve any vessel of her obligation under...
33 CFR 83.10 - Traffic separation schemes (Rule 10).
Code of Federal Regulations, 2012 CFR
2012-07-01
... 33 Navigation and Navigable Waters 1 2012-07-01 2012-07-01 false Traffic separation schemes (Rule... Visibility § 83.10 Traffic separation schemes (Rule 10). (a) Obligations under other Rules unaffected. This Rule applies to traffic separation schemes and does not relieve any vessel of her obligation under...
30 CFR 75.800-2 - Approved circuit schemes.
Code of Federal Regulations, 2010 CFR
2010-07-01
... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Approved circuit schemes. 75.800-2 Section 75... § 75.800-2 Approved circuit schemes. The following circuit schemes will be regarded as providing the necessary protection to the circuits required by § 75.800: (a) Ground check relays may be used...
The hybrid Eulerian Lagrangian numerical scheme tested with Chemistry
NASA Astrophysics Data System (ADS)
Hansen, A. B.; Sørensen, B.; Tarning-Andersen, P.; Christensen, J. H.; Brandt, J.; Kaas, E.
2012-11-01
A newly developed advection scheme, the Hybrid Eulerian Lagrangian (HEL) scheme, has been tested, including a module for atmospheric chemistry, including 58 chemical species, and compared to two other traditional advection schemes; a classical pseudospectral Eulerian method the Accurate Space Derivative (ASD) scheme and the bi-cubic semi-Lagrangian (SL) scheme using classical rotation tests. The rotation tests have been designed to test and compare the advection schemes for different spatial and temporal resolutions in different chemical conditions (rural and urban) and for different shapes (cone and slotted cylinder) giving the advection schemes different challenges with respect to relatively slow or fast chemistry and smooth or sharp gradients, respectively. In every test, error measures have been calculated and used for ranking of the advection schemes with respect to performance, i.e. lowest overall errors for all chemical species. Furthermore, the HEL and SL schemes have been compared in a shallow water model, demonstrating the performance in a more realistic non-linear deformation flow. The results in this paper show that the new advection scheme, HEL, by far outperforms both the Eulerian and semi-Lagrangian schemes with very low error estimates compared to the two other schemes. Although no analytic solution can be obtained for the performance in the non-linear shallow water model flow, the tracer distribution appears realistic as compared to LMCSL when a mixing between local parcel concentrations is introduced in HEL.
7 CFR 1467.19 - Scheme and device.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 7 Agriculture 10 2010-01-01 2010-01-01 false Scheme and device. 1467.19 Section 1467.19... device. (a) If it is determined by the NRCS that a participant has employed a scheme or device to defeat... determined appropriate by NRCS. (b) A scheme or device includes, but is not limited to, coercion,...
7 CFR 633.18 - Scheme and device.
Code of Federal Regulations, 2011 CFR
2011-01-01
... 7 Agriculture 6 2011-01-01 2011-01-01 false Scheme and device. 633.18 Section 633.18 Agriculture... AGRICULTURE LONG TERM CONTRACTING WATER BANK PROGRAM § 633.18 Scheme and device. (a) If it is determined by the NRCS that a person has employed a scheme or device to defeat the purposes of this part, any...
7 CFR 795.17 - Scheme or device.
Code of Federal Regulations, 2011 CFR
2011-01-01
... 7 Agriculture 7 2011-01-01 2011-01-01 false Scheme or device. 795.17 Section 795.17 Agriculture... PROVISIONS COMMON TO MORE THAN ONE PROGRAM PAYMENT LIMITATION General § 795.17 Scheme or device. All or any... person adopts or participates in adopting any scheme or device designed to evade or which has the...
7 CFR 1491.32 - Scheme or device.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 7 Agriculture 10 2010-01-01 2010-01-01 false Scheme or device. 1491.32 Section 1491.32 Agriculture... Administration § 1491.32 Scheme or device. (a) If it is determined by the NRCS that a cooperating entity has employed a scheme or device to defeat the purposes of this part, any part of any program payment...
7 CFR 625.20 - Scheme and device.
Code of Federal Regulations, 2011 CFR
2011-01-01
... 7 Agriculture 6 2011-01-01 2011-01-01 false Scheme and device. 625.20 Section 625.20 Agriculture... AGRICULTURE WATER RESOURCES HEALTHY FORESTS RESERVE PROGRAM § 625.20 Scheme and device. (a) If it is determined by NRCS that a person has employed a scheme or device to defeat the purposes of this part,...
7 CFR 760.819 - Misrepresentation, scheme, or device.
Code of Federal Regulations, 2011 CFR
2011-01-01
... 7 Agriculture 7 2011-01-01 2011-01-01 false Misrepresentation, scheme, or device. 760.819 Section....819 Misrepresentation, scheme, or device. (a) A person is ineligible to receive assistance under this part if it is determined that such person has: (1) Adopted any scheme or device that tends to...
7 CFR 1410.60 - Scheme or device.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 7 Agriculture 10 2010-01-01 2010-01-01 false Scheme or device. 1410.60 Section 1410.60 Agriculture... AGRICULTURE LOANS, PURCHASES, AND OTHER OPERATIONS CONSERVATION RESERVE PROGRAM § 1410.60 Scheme or device. (a) If CCC determines that a person has employed a scheme or device to defeat the purposes of this...
7 CFR 795.17 - Scheme or device.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 7 Agriculture 7 2010-01-01 2010-01-01 false Scheme or device. 795.17 Section 795.17 Agriculture... PROVISIONS COMMON TO MORE THAN ONE PROGRAM PAYMENT LIMITATION General § 795.17 Scheme or device. All or any... person adopts or participates in adopting any scheme or device designed to evade or which has the...
7 CFR 760.819 - Misrepresentation, scheme, or device.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 7 Agriculture 7 2010-01-01 2010-01-01 false Misrepresentation, scheme, or device. 760.819 Section....819 Misrepresentation, scheme, or device. (a) A person is ineligible to receive assistance under this part if it is determined that such person has: (1) Adopted any scheme or device that tends to...
7 CFR 623.21 - Scheme and device.
Code of Federal Regulations, 2011 CFR
2011-01-01
... 7 Agriculture 6 2011-01-01 2011-01-01 false Scheme and device. 623.21 Section 623.21 Agriculture... AGRICULTURE WATER RESOURCES EMERGENCY WETLANDS RESERVE PROGRAM § 623.21 Scheme and device. (a) If it is determined by NRCS that a landowner has employed a scheme or device to defeat the purposes of this part,...
NASA Technical Reports Server (NTRS)
Patterson, James D.
1996-01-01
We have used a Green's function technique to calculate the energy levels and formation energy of deep defects in the narrow gap semiconductors mercury cadmium telluride (MCT), mercury zinc telluride (MZT) and mercury zinc selenide (MZS). The formation energy is calculated from the difference between the total energy with an impurity cluster and the total energy for the perfect crystal. Substitutional (including antisite), interstitial (self and foreign), and vacancy deep defects are considered. Relaxation effects are calculated (with molecular dynamics). By use of a pseudopotential, we generalize the ideal vacancy model so as to be able to consider relaxation for vacancies. Different charge states are considered and the charged state energy shift (as computed by a modified Haldane-Anderson model) can be twice that due to relaxation. Different charged states for vacancies were not calculated to have much effect on the formation energy. For all cases we find deep defects in the energy gap only for cation site s-like orbitals or anion site p-like orbitals, and for the substitutional case only the latter are appreciably effected by relaxation. For most cases for MCT, MZT, MZS, we consider x (the concentration of Cd or Zn) in the range appropriate for a band gap of 0.1 eV. For defect energy levels, the absolute accuracy of our results is limited, but the precision is good, and hence chemical trends are accurately predicted. For the same reason, defect formation energies are more accurately predicted than energy level position. We attempt, in Appendix B, to calculate vacancy formation energies using relatively simple chemical bonding ideas due to Harrison. However, these results are only marginally accurate for estimating vacancy binding energies. Appendix C lists all written reports and publications produced for the grant. We include abstracts and a complete paper that summarizes our work which is not yet available.
Energy levels and radiative rates for transitions in B-like to F-like Xe ions (Xe L-XLVI)
Aggarwal, K.M. Keenan, F.P.; Lawson, K.D.
2010-03-15
Energy levels, radiative rates, oscillator strengths, line strengths, and lifetimes have been calculated for transitions in B-like to F-like Xe ions, Xe L-XLVI. For the calculations, a fully relativistic GRASP code has been adopted, and results are reported for all electric dipole, electric quadrupole, magnetic dipole, and magnetic quadrupole transitions among the lowest 125, 236, 272, 226, and 113 levels of Xe L, Xe XLIX, Xe XLVIII, Xe XLVII, and Xe XLVI, respectively, belonging to the n {<=} 3 configurations.
Energy levels and radiative rates for transitions in B-like to F-like Kr ions (Kr XXXII-XXVIII)
Aggarwal, K.M. Keenan, F.P.; Lawson, K.D.
2008-05-15
Energy levels, radiative rates, oscillator strengths, line strengths, and lifetimes have been calculated for transitions in B-like to F-like Kr ions, Kr XXXIII-XXVIII. For the calculations, the fully relativistic GRASP code has been adopted, and results are reported for all electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) transitions among the lowest 125, 236, 272, 226, and 113 levels of Kr XXXII, Kr XXXI, Kr XXX, Kr XXIX, and Kr XXVIII, respectively, belonging to the n {<=} 3 configurations. Comparisons are made with earlier available theoretical and experimental results, and some discrepancies have been noted and explained.
Energy level properties of 4p4d, 4p4d4f, and 4p4d configurations of the W ion
NASA Astrophysics Data System (ADS)
Bogdanovich, P.; Kisielius, R.
2014-11-01
The ab initio quasirelativistic Hartree-Fock method developed specifically for the calculation of spectroscopic parameters of heavy atoms and highly charged ions was used to derive spectral data for the multicharged tungsten ion W35+. The configuration interaction method was applied to include the electron-correlation effects. The relativistic effects were taken into account in the Breit-Pauli approximation for quasirelativistic Hartree-Fock radial orbitals. The energy level spectra, radiative lifetimes τ, and Lande g-factors have been calculated for the 4p64d3, 4p64d24f, and 4p54d4 configurations of the W35+ ion.
A closure scheme for chemical master equations
Smadbeck, Patrick; Kaznessis, Yiannis N.
2013-01-01
Probability reigns in biology, with random molecular events dictating the fate of individual organisms, and propelling populations of species through evolution. In principle, the master probability equation provides the most complete model of probabilistic behavior in biomolecular networks. In practice, master equations describing complex reaction networks have remained unsolved for over 70 years. This practical challenge is a reason why master equations, for all their potential, have not inspired biological discovery. Herein, we present a closure scheme that solves the master probability equation of networks of chemical or biochemical reactions. We cast the master equation in terms of ordinary differential equations that describe the time evolution of probability distribution moments. We postulate that a finite number of moments capture all of the necessary information, and compute the probability distribution and higher-order moments by maximizing the information entropy of the system. An accurate order closure is selected, and the dynamic evolution of molecular populations is simulated. Comparison with kinetic Monte Carlo simulations, which merely sample the probability distribution, demonstrates this closure scheme is accurate for several small reaction networks. The importance of this result notwithstanding, a most striking finding is that the steady state of stochastic reaction networks can now be readily computed in a single-step calculation, without the need to simulate the evolution of the probability distribution in time. PMID:23940327
Gaussian translation operator in a multilevel scheme
NASA Astrophysics Data System (ADS)
Hansen, Thorkild B.; Borries, Oscar
2015-08-01
A multilevel computation scheme for time-harmonic fields in three dimensions will be formulated with a new Gaussian translation operator that decays exponentially outside a circular cone centered on the line connecting the source and observation groups. This Gaussian translation operator is directional and diagonal with its sharpness determined by a beam parameter. When the beam parameter is set to zero, the Gaussian translation operator reduces to the standard fast multipole method translation operator. The directionality of the Gaussian translation operator makes it possible to reduce the number of plane waves required to achieve a given accuracy. The sampling rate can be determined straightforwardly to achieve any desired accuracy. The use of the computation scheme will be illustrated through a near-field scanning problem where the far-field pattern of a source is determined from near-field measurements with a known probe. Here the Gaussian translation operator improves the condition number of the matrix equation that determines the far-field pattern. The Gaussian translation operator can also be used when the probe pattern is known only in one hemisphere, as is common in practice. Also, the Gaussian translation operator will be used to solve the scattering problem of the perfectly conducting sphere.
The Linear Bicharacteristic Scheme for Computational Electromagnetics
NASA Technical Reports Server (NTRS)
Beggs, John H.; Chan, Siew-Loong
2000-01-01
The upwind leapfrog or Linear Bicharacteristic Scheme (LBS) has previously been implemented and demonstrated on electromagnetic wave propagation problems. This paper extends the Linear Bicharacteristic Scheme for computational electromagnetics to treat lossy dielectric and magnetic materials and perfect electrical conductors. This is accomplished by proper implementation of the LBS for homogeneous lossy dielectric and magnetic media, and treatment of perfect electrical conductors (PECs) are shown to follow directly in the limit of high conductivity. Heterogeneous media are treated through implementation of surface boundary conditions and no special extrapolations or interpolations at dielectric material boundaries are required. Results are presented for one-dimensional model problems on both uniform and nonuniform grids, and the FDTD algorithm is chosen as a convenient reference algorithm for comparison. The results demonstrate that the explicit LBS is a dissipation-free, second-order accurate algorithm which uses a smaller stencil than the FDTD algorithm, yet it has approximately one-third the phase velocity error. The LBS is also more accurate on nonuniform grids.
Conservation properties of unstructured staggered mesh schemes
Perot, B.
2000-03-20
Classic Cartesian staggered mesh schemes have a number of attractive properties. They do not display spurious pressure modes and they have been shown to locally conserve, mass, momentum, kinetic energy, and circulation to machine precision. Recently, a number of generalizations of the staggered mesh approach have been proposed for unstructured (triangular or tetrahedral) meshes. These unstructured staggered mesh methods have been created to retain the attractive pressure aspects and mass conservation properties of the classic Cartesian mesh method. This work addresses the momentum, kinetic energy, and circulation conservation properties of unstructured staggered mesh methods. It is shown that with certain choices of the velocity interpolation, unstructured staggered mesh discretization of the divergence form of the Navier-Stokes equations can conserve kinetic energy and momentum both locally and globally. In addition, it is shown that unstructured staggered mesh discretization of the rotational form of the Navier-Stokes equations can conserve kinetic energy and circulation both locally and globally. The analysis includes viscous terms and a generalization of the concept of conservation in the presence of viscosity to include a negative definite dissipation term in the kinetic energy equation. These novel conserving unstructured staggered mesh schemes have not been previously analyzed. It is shown that they are first-order accurate on nonuniform two-dimensional unstructured meshes and second-order accurate on uniform unstructured meshes. Numerical confirmation of the conservation properties and the order of accuracy of these unstructured staggered mesh methods is presented.
Multiplexing schemes for quantum repeater networks
NASA Astrophysics Data System (ADS)
Aparicio, Luciano; Van Meter, Rodney
2011-08-01
When built, quantum repeaters will allow the distribution of entangled quantum states across large distances, playing a vital part in many proposed quantum technologies. Enabling multiple users to connect through the same network will be key to their real-world deployment. Previous work on repeater technologies has focussed only on simple entanglment production, without considering the issues of resource scarcity and competition that necessarily arise in a network setting. In this paper we simulated a thirteen-node network with up to five flows sharing different parts of the network, measuring the total throughput and fairness for each case. Our results suggest that the Internet-like approach of statistical multiplexing use of a congested link gives the highest aggregate throughput. Time division multiplexing and buffer space multiplexing were slightly less effective, but all three schemes allow the sum of multiple flows to substantially exceed that of any one flow, improving over circuit switching by taking advantage of resources that are forced to remain idle in circuit switching. All three schemes proved to have excellent fairness. The high performance, fairness and simplicity of implementation support a recommendation of statistical multiplexing for shared quantum repeater networks.
Multi-resolution analysis for ENO schemes
NASA Technical Reports Server (NTRS)
Harten, Ami
1993-01-01
Given a function u(x) which is represented by its cell-averages in cells which are formed by some unstructured grid, we show how to decompose the function into various scales of variation. This is done by considering a set of nested grids in which the given grid is the finest, and identifying in each locality the coarsest grid in the set from which u(x) can be recovered to a prescribed accuracy. We apply this multi-resolution analysis to Essentially Non-oscillatory Schemes (ENO) schemes in order to reduce the number of numerical flux computations which is needed in order to advance the solution by one time-step. This is accomplished by decomposing the numerical solution at the beginning of each time-step into levels of resolution, and performing the computation in each locality at the appropriate coarser grid. We present an efficient algorithm for implementing this program in the one-dimensional case; this algorithm can be extended to the multi-dimensional case with cartesian grids.
Optimized Handover Schemes over WiMAX
NASA Astrophysics Data System (ADS)
Jerjees, Zina; Al-Raweshidy, H. S.; Al-Banna, Zaineb
Voice Over Internet Protocol (VoIP) applications have received significant interests from the Mobile WiMAX standard in terms of capabilities and means of delivery multimedia services, by providing high bandwidth over long-range transmission. However, one of the main problems of IEEE 802.16 is that it covers multi BS with too many profiled layers, which can lead to potential interoperability problems. The multi BS mode requires multiple BSs to be scanned synchronously before initiating the transmission of broadcast data. In this paper, we first identify the key issues for VoIP over WiMAX. Then we present a MAC Layer solution to guarantee the demanded bandwidth and supporting a higher possible throughput between two WiMAX end points during the handover. Moreover, we propose a PHY and MAC layers scheme to maintain the required communication channel quality for VoIP during handover. Results show that our proposed schemes can significantly improve the network throughput up to 55%, reducing the data dropped to 70% while satisfying VoIP quality requirements.
A subgrid parameterization scheme for precipitation
NASA Astrophysics Data System (ADS)
Turner, S.; Brenguier, J.-L.; Lac, C.
2011-07-01
With increasing computing power, the horizontal resolution of numerical weather prediction (NWP) models is improving and today reaches 1 to 5 km. Nevertheless, clouds and precipitation are still subgrid scale processes for most cloud types, such as cumulus and stratocumulus. Subgrid scale parameterizations for water vapor condensation have been in use for many years and are based on a prescribed PDF of relative humidity spatial variability within the grid, thus providing a diagnosis of the cloud fraction. A similar scheme is developed and tested here. It is based on a prescribed PDF of cloud water variability and a threshold value of liquid water content for droplet collection to derive a rain fraction within the model grid. Precipitation of rainwater raises additional concerns relative to the overlap of cloud and rain fractions, however. The scheme is developed following an analysis of data collected during field campaigns in stratocumulus (DYCOMS-II) and fair weather cumulus (RICO) and tested in a 1-D framework against large eddy simulations of these observed cases. The new parameterization is then implemented in a 3-D NWP model with a horizontal resolution of 2.5 km to simulate real cases of precipitating cloud systems over France.
A subgrid parameterization scheme for precipitation
NASA Astrophysics Data System (ADS)
Turner, S.; Brenguier, J.-L.; Lac, C.
2012-04-01
With increasing computing power, the horizontal resolution of numerical weather prediction (NWP) models is improving and today reaches 1 to 5 km. Nevertheless, clouds and precipitation formation are still subgrid scale processes for most cloud types, such as cumulus and stratocumulus. Subgrid scale parameterizations for water vapor condensation have been in use for many years and are based on a prescribed probability density function (PDF) of relative humidity spatial variability within the model grid box, thus providing a diagnosis of the cloud fraction. A similar scheme is developed and tested here. It is based on a prescribed PDF of cloud water variability and a threshold value of liquid water content for droplet collection to derive a rain fraction within the model grid. Precipitation of rainwater raises additional concerns relative to the overlap of cloud and rain fractions, however. The scheme is developed following an analysis of data collected during field campaigns in stratocumulus (DYCOMS-II) and fair weather cumulus (RICO) and tested in a 1-D framework against large eddy simulations of these observed cases. The new parameterization is then implemented in a 3-D NWP model with a horizontal resolution of 2.5 km to simulate real cases of precipitating cloud systems over France.
Coupling Schemes in Terahertz Planar Metamaterials
Roy Chowdhury, Dibakar; Singh, Ranjan; Taylor, Antoinette J.; Chen, Hou-Tong; Zhang, Weili; Azad, Abul K.
2012-01-01
We present a review of the different coupling schemes in a planar array of terahertz metamaterials. The gap-to-gap near-field capacitive coupling between split-ring resonators in a unit cell leads to either blue shift or red shift of the fundamental inductive-capacitive ( LC ) resonance, depending on the position of the split gap. The inductive coupling is enhanced by decreasing the inter resonator distance resulting in strong blue shifts of the LC resonance. We observe the LC resonance tuning only when the split-ring resonators are in close proximity of each other; otherwise, they appear to be uncoupled. Conversely, the higher-ordermore » resonances are sensitive to the smallest change in the inter particle distance or split-ring resonator orientation and undergo tremendous resonance line reshaping giving rise to a sharp subradiant resonance mode which produces hot spots useful for sensing applications. Most of the coupling schemes in a metamaterial are based on a near-field effect, though there also exists a mechanism to couple the resonators through the excitation of lowest-order lattice mode which facilitates the long-range radiative or diffractive coupling in the split-ring resonator plane leading to resonance line narrowing of the fundamental as well as the higher order resonance modes.« less
A concatenated coding scheme for error control
NASA Technical Reports Server (NTRS)
Lin, S.
1985-01-01
A concatenated coding scheme for error control in data communications is analyzed. The inner code is used for both error correction and detection, however the outer code is used only for error detection. A retransmission is requested if the outer code detects the presence of errors after the inner code decoding. The probability of undetected error of the above error control scheme is derived and upper bounded. Two specific exmaples are analyzed. In the first example, the inner code is a distance-4 shortened Hamming code with generator polynomial (X+1)(X(6)+X+1) = X(7)+X(6)+X(2)+1 and the outer code is a distance-4 shortened Hamming code with generator polynomial (X+1)X(15+X(14)+X(13)+X(12)+X(4)+X(3)+X(2)+X+1) = X(16)+X(12)+X(5)+1 which is the X.25 standard for packet-switched data network. This example is proposed for error control on NASA telecommand links. In the second example, the inner code is the same as that in the first example but the outer code is a shortened Reed-Solomon code with symbols from GF(2(8)) and generator polynomial (X+1)(X+alpha) where alpha is a primitive element in GF(z(8)).
Special Protection Scheme at BTPS Power Station
NASA Astrophysics Data System (ADS)
Ballal, Makarand Sudhakar; Suryawanshi, Hiralal Murlidhar; Ballal, Deepali Makarand; Mishra, Mahesh Kumar
2016-03-01
After 2003 free licensees' act in power sector, it is observed that many power plants from public sector as well as from private sectors are going to be commissioned. The load growth in India is about more than 10% pa. As these plants are going to connect to the power grid, therefore the grid is going to become more complicated. Also the problems related to grid stability are enhanced. There shall be possibilities regarding failure of grid system and under such circumstance it is always desirable to island minimum single generating unit in power plant of specified geographical area. After islanding the generating unit, this unit has to survive not only for the restoration of grid but also for power supply to important consumers. For the grid stability and effective survival of islanded generating unit, it is mandatory to maintain the power balance equation. This paper focuses on the lacunae's observed in implementation of special protection scheme to carry out islanding operation at Bhusawal Thermal Power Station (BTPS) by considering the case studies. The concepts of islanding, load shedding, generator tripping and along with importance of power balance equation is discussed. Efforts are made to provide the solution for the survival of islanding scheme.
Privacy protection schemes for fingerprint recognition systems
NASA Astrophysics Data System (ADS)
Marasco, Emanuela; Cukic, Bojan
2015-05-01
The deployment of fingerprint recognition systems has always raised concerns related to personal privacy. A fingerprint is permanently associated with an individual and, generally, it cannot be reset if compromised in one application. Given that fingerprints are not a secret, potential misuses besides personal recognition represent privacy threats and may lead to public distrust. Privacy mechanisms control access to personal information and limit the likelihood of intrusions. In this paper, image- and feature-level schemes for privacy protection in fingerprint recognition systems are reviewed. Storing only key features of a biometric signature can reduce the likelihood of biometric data being used for unintended purposes. In biometric cryptosystems and biometric-based key release, the biometric component verifies the identity of the user, while the cryptographic key protects the communication channel. Transformation-based approaches only a transformed version of the original biometric signature is stored. Different applications can use different transforms. Matching is performed in the transformed domain which enable the preservation of low error rates. Since such templates do not reveal information about individuals, they are referred to as cancelable templates. A compromised template can be re-issued using a different transform. At image-level, de-identification schemes can remove identifiers disclosed for objectives unrelated to the original purpose, while permitting other authorized uses of personal information. Fingerprint images can be de-identified by, for example, mixing fingerprints or removing gender signature. In both cases, degradation of matching performance is minimized.
Special Semaphore Scheme for UHF Spacecraft Communications
NASA Technical Reports Server (NTRS)
Butman, Stanley; Satorius, Edgar; Ilott, Peter
2006-01-01
A semaphore scheme has been devised to satisfy a requirement to enable ultrahigh- frequency (UHF) radio communication between a spacecraft descending from orbit to a landing on Mars and a spacecraft, in orbit about Mars, that relays communications between Earth and the lander spacecraft. There are also two subsidiary requirements: (1) to use UHF transceivers, built and qualified for operation aboard the spacecraft that operate with residual-carrier binary phase-shift-keying (BPSK) modulation at a selectable data rate of 8, 32, 128, or 256 kb/s; and (2) to enable low-rate signaling even when received signals become so weak as to prevent communication at the minimum BPSK rate of 8 kHz. The scheme involves exploitation of Manchester encoding, which is used in conjunction with residual-carrier modulation to aid the carrier-tracking loop. By choosing various sequences of 1s, 0s, or 1s alternating with 0s to be fed to the residual-carrier modulator, one would cause the modulator to generate sidebands at a fundamental frequency of 4 or 8 kHz and harmonics thereof. These sidebands would constitute the desired semaphores. In reception, the semaphores would be detected by a software demodulator.
Finite-difference schemes for anisotropic diffusion
Es, Bram van; Koren, Barry; Blank, Hugo J. de
2014-09-01
In fusion plasmas diffusion tensors are extremely anisotropic due to the high temperature and large magnetic field strength. This causes diffusion, heat conduction, and viscous momentum loss, to effectively be aligned with the magnetic field lines. This alignment leads to different values for the respective diffusive coefficients in the magnetic field direction and in the perpendicular direction, to the extent that heat diffusion coefficients can be up to 10{sup 12} times larger in the parallel direction than in the perpendicular direction. This anisotropy puts stringent requirements on the numerical methods used to approximate the MHD-equations since any misalignment of the grid may cause the perpendicular diffusion to be polluted by the numerical error in approximating the parallel diffusion. Currently the common approach is to apply magnetic field-aligned coordinates, an approach that automatically takes care of the directionality of the diffusive coefficients. This approach runs into problems at x-points and at points where there is magnetic re-connection, since this causes local non-alignment. It is therefore useful to consider numerical schemes that are tolerant to the misalignment of the grid with the magnetic field lines, both to improve existing methods and to help open the possibility of applying regular non-aligned grids. To investigate this, in this paper several discretization schemes are developed and applied to the anisotropic heat diffusion equation on a non-aligned grid.
Compact finite difference schemes with spectral-like resolution
NASA Technical Reports Server (NTRS)
Lele, Sanjiva K.
1992-01-01
The present finite-difference schemes for the evaluation of first-order, second-order, and higher-order derivatives yield improved representation of a range of scales and may be used on nonuniform meshes. Various boundary conditions may be invoked, and both accurate interpolation and spectral-like filtering can be accomplished by means of schemes for derivatives at mid-cell locations. This family of schemes reduces to the Pade schemes when the maximal formal accuracy constraint is imposed with a specific computational stencil. Attention is given to illustrative applications of these schemes in fluid dynamics.
A group signature scheme based on quantum teleportation
NASA Astrophysics Data System (ADS)
Wen, Xiaojun; Tian, Yuan; Ji, Liping; Niu, Xiamu
2010-05-01
In this paper, we present a group signature scheme using quantum teleportation. Different from classical group signature and current quantum signature schemes, which could only deliver either group signature or unconditional security, our scheme guarantees both by adopting quantum key preparation, quantum encryption algorithm and quantum teleportation. Security analysis proved that our scheme has the characteristics of group signature, non-counterfeit, non-disavowal, blindness and traceability. Our quantum group signature scheme has a foreseeable application in the e-payment system, e-government, e-business, etc.
Enhanced arbitrated quantum signature scheme using Bell states
NASA Astrophysics Data System (ADS)
Wang, Chao; Liu, Jian-Wei; Shang, Tao
2014-06-01
We investigate the existing arbitrated quantum signature schemes as well as their cryptanalysis, including intercept-resend attack and denial-of-service attack. By exploring the loopholes of these schemes, a malicious signatory may successfully disavow signed messages, or the receiver may actively negate the signature from the signatory without being detected. By modifying the existing schemes, we develop counter-measures to these attacks using Bell states. The newly proposed scheme puts forward the security of arbitrated quantum signature. Furthermore, several valuable topics are also presented for further research of the quantum signature scheme.
On the security of arbitrated quantum signature schemes
NASA Astrophysics Data System (ADS)
Li, Qin; Li, Chengqing; Wen, Zhonghua; Zhao, Weizhong; Chan, Wai Hong
2013-01-01
Due to the potential capability of providing unconditional security, arbitrated quantum signature (AQS) schemes, whose implementation depends on the participation of a trusted third party, received intense attention in the past decade. Recently, some typical AQS schemes were cryptanalyzed and improved. In this paper, we analyze the security property of some AQS schemes and show that all the previous AQS schemes, no matter whether original or improved, are still insecure in the sense that the messages and the corresponding signatures can be exchanged among different receivers, allowing the receivers to deny having accepted the signature of an appointed message. Some further improved methods on the AQS schemes are also discussed.
The hybrid Eulerian Lagrangian numerical scheme tested with Chemistry
NASA Astrophysics Data System (ADS)
Hansen, A. B.; Sørensen, B.; Tarning-Andersen, P.; Christensen, J. H.; Brandt, J.; Kaas, E.
2012-12-01
A newly developed transport scheme, the Hybrid Eulerian Lagrangian (HEL) scheme, has been tested using a module for atmospheric chemistry, including 58 chemical species, and compared to two other traditional advection schemes; a classical pseudospectral Eulerian method the Accurate Space Derivative (ASD) scheme and the bi-cubic semi-Lagrangian (SL) scheme using classical rotation tests. The rotation tests have been designed to test and compare the advection schemes for different spatial and temporal resolutions in different chemical conditions (rural and urban) and for different shapes (cone and slotted cylinder). This gives the advection schemes different challenges with respect to relatively slow or fast chemistry and smooth or sharp gradients. In every test, error measures have been calculated and used for ranking of the advection schemes with respect to performance, i.e. lowest overall errors for all chemical species. The results presented show that the new transport scheme, HEL, by far outperforms both the Eulerian and semi-Lagrangian schemes with very low error estimates compared to the two other schemes.
An evaluation of RAMS radiation schemes by field measurements
Zhong, S; Doran, J C
1994-02-01
At present, two radiation schemes are used in RAMS: the Mahrer and Pielke (M-P) scheme and the Chen and Cotton (C-C) scheme. The M-P scheme requires little computational expense, but does not include the radiative effects of liquid water or ice; the C-C scheme accounts for the radiative effects of liquid water and ice but is fairly expensive computationally. For simulations with clouds, the C-C scheme is obviously a better choice, but for clear sky conditions, RAMS users face a decision regarding which radiation scheme to use. It has been noted that the choice of radiation scheme may result in significantly different results for the same case. To examine the differences in the radiative fluxes and the boundary-layer structure corresponding to the two radiation schemes in RAMS we have carried out a study where Rams was used to simulate the same case with two different radiation schemes. The modeled radiative fluxes by the two schemes were then compared with the field measurements. A description of the observations and the case study, a comparison and discussion of the results, and a summary and conclusions follow.
Implicit Space-Time Conservation Element and Solution Element Schemes
NASA Technical Reports Server (NTRS)
Chang, Sin-Chung; Himansu, Ananda; Wang, Xiao-Yen
1999-01-01
Artificial numerical dissipation is in important issue in large Reynolds number computations. In such computations, the artificial dissipation inherent in traditional numerical schemes can overwhelm the physical dissipation and yield inaccurate results on meshes of practical size. In the present work, the space-time conservation element and solution element method is used to construct new and accurate implicit numerical schemes such that artificial numerical dissipation will not overwhelm physical dissipation. Specifically, these schemes have the property that numerical dissipation vanishes when the physical viscosity goes to zero. These new schemes therefore accurately model the physical dissipation even when it is extremely small. The new schemes presented are two highly accurate implicit solvers for a convection-diffusion equation. The two schemes become identical in the pure convection case, and in the pure diffusion case. The implicit schemes are applicable over the whole Reynolds number range, from purely diffusive equations to convection-dominated equations with very small viscosity. The stability and consistency of the schemes are analysed, and some numerical results are presented. It is shown that, in the inviscid case, the new schemes become explicit and their amplification factors are identical to those of the Leapfrog scheme. On the other hand, in the pure diffusion case, their principal amplification factor becomes the amplification factor of the Crank-Nicolson scheme.
Two efficient schemes for probabilistic remote state preparation and the combination of both schemes
NASA Astrophysics Data System (ADS)
Wei, Jiahua; Dai, Hong-Yi; Zhang, Ming
2014-09-01
We propose two novel schemes for probabilistic remote preparation of an arbitrary quantum state with the aid of the introduction of auxiliary particles and appropriate local unitary operations. The first new proposal could be used to improve the total successful probability of the remote preparation of a general quantum state, and the successful probability is twice as much as the one of the preceding schemes. Meanwhile, one can make use of the second proposal to realize the remote state preparation when the information of the partially entangled state is only available for the sender. This is in contrast to the fact that the receiver must know the non-maximally entangled state in previous typical schemes. Hence, our second proposal could enlarge the applied range of probabilistic remote state preparation. Additionally, we will illustrate how to combine these novel proposals in detail, and our results show that the union has the advantages of both schemes. Of course, our protocols are implemented at the cost of the increased complexity of the practical realizations.
On smoothing of the Crank-Nicolson scheme and higher order schemes for pricing barrier options
NASA Astrophysics Data System (ADS)
Wade, B. A.; Khaliq, A. Q. M.; Yousuf, M.; Vigo-Aguiar, J.; Deininger, R.
2007-07-01
Most option pricing problems have nonsmooth payoffs or discontinuous derivatives at the exercise price. Discrete barrier options have not only nonsmooth payoffs but also time dependent discontinuities. In pricing barrier options, certain aspects are triggered if the asset price becomes too high or too low. Standard smoothing schemes used to solve problems with nonsmooth payoff do not work well for discrete barrier options because of discontinuities introduced in the time domain when each barrier is applied. Moreover, these unwanted oscillations become worse when estimating the hedging parameters, e.g., Delta and Gamma. We have an improved smoothing strategy for the Crank-Nicolson method which is unique in achieving optimal order convergence for barrier option problems. Numerical experiments are discussed for one asset and two asset problems. Time evolution graphs are obtained for one asset problems to show how option prices change with respect to time. This smoothing strategy is then extended to higher order methods using diagonal (m,m)--Pade main schemes under a smoothing strategy of using as damping schemes the (0,2m-1) subdiagonal Pade schemes.
Total Variation Diminishing (TVD) schemes of uniform accuracy
NASA Technical Reports Server (NTRS)
Hartwich, PETER-M.; Hsu, Chung-Hao; Liu, C. H.
1988-01-01
Explicit second-order accurate finite-difference schemes for the approximation of hyperbolic conservation laws are presented. These schemes are nonlinear even for the constant coefficient case. They are based on first-order upwind schemes. Their accuracy is enhanced by locally replacing the first-order one-sided differences with either second-order one-sided differences or central differences or a blend thereof. The appropriate local difference stencils are selected such that they give TVD schemes of uniform second-order accuracy in the scalar, or linear systems, case. Like conventional TVD schemes, the new schemes avoid a Gibbs phenomenon at discontinuities of the solution, but they do not switch back to first-order accuracy, in the sense of truncation error, at extrema of the solution. The performance of the new schemes is demonstrated in several numerical tests.
An optimized finite-difference scheme for wave propagation problems
NASA Technical Reports Server (NTRS)
Zingg, D. W.; Lomax, H.; Jurgens, H.
1993-01-01
Two fully-discrete finite-difference schemes for wave propagation problems are presented, a maximum-order scheme and an optimized (or spectral-like) scheme. Both combine a seven-point spatial operator and an explicit six-stage time-march method. The maximum-order operator is fifth-order in space and is sixth-order in time for a linear problem with periodic boundary conditions. The phase and amplitude errors of the schemes obtained using Fourier analysis are given and compared with a second-order and a fourth-order method. Numerical experiments are presented which demonstrate the usefulness of the schemes for a range of problems. For some problems, the optimized scheme leads to a reduction in global error compared to the maximum-order scheme with no additional computational expense.
SM-stability of operator-difference schemes
NASA Astrophysics Data System (ADS)
Vabishchevich, P. N.
2012-06-01
The spectral mimetic (SM) properties of operator-difference schemes for solving the Cauchy problem for first-order evolutionary equations concern the time evolution of individual harmonics of the solution. Keeping track of the spectral characteristics makes it possible to select more appropriate approximations with respect to time. Among two-level implicit schemes of improved accuracy based on Padé approximations, SM-stability holds for schemes based on polynomial approximations if the operator in an evolutionary equation is self-adjoint and for symmetric schemes if the operator is skew-symmetric. In this paper, additive schemes (also called splitting schemes) are constructed for evolutionary equations with general operators. These schemes are based on the extraction of the self-adjoint and skew-symmetric components of the corresponding operator.
An efficient compression scheme for bitmap indices
Wu, Kesheng; Otoo, Ekow J.; Shoshani, Arie
2004-04-13
When using an out-of-core indexing method to answer a query, it is generally assumed that the I/O cost dominates the overall query response time. Because of this, most research on indexing methods concentrate on reducing the sizes of indices. For bitmap indices, compression has been used for this purpose. However, in most cases, operations on these compressed bitmaps, mostly bitwise logical operations such as AND, OR, and NOT, spend more time in CPU than in I/O. To speedup these operations, a number of specialized bitmap compression schemes have been developed; the best known of which is the byte-aligned bitmap code (BBC). They are usually faster in performing logical operations than the general purpose compression schemes, but, the time spent in CPU still dominates the total query response time. To reduce the query response time, we designed a CPU-friendly scheme named the word-aligned hybrid (WAH) code. In this paper, we prove that the sizes of WAH compressed bitmap indices are about two words per row for large range of attributes. This size is smaller than typical sizes of commonly used indices, such as a B-tree. Therefore, WAH compressed indices are not only appropriate for low cardinality attributes but also for high cardinality attributes.In the worst case, the time to operate on compressed bitmaps is proportional to the total size of the bitmaps involved. The total size of the bitmaps required to answer a query on one attribute is proportional to the number of hits. These indicate that WAH compressed bitmap indices are optimal. To verify their effectiveness, we generated bitmap indices for four different datasets and measured the response time of many range queries. Tests confirm that sizes of compressed bitmap indices are indeed smaller than B-tree indices, and query processing with WAH compressed indices is much faster than with BBC compressed indices, projection indices and B-tree indices. In addition, we also verified that the average query response time
Improved Timing Scheme for Spaceborne Precipitation Radar
NASA Technical Reports Server (NTRS)
Berkun, Andrew; Fischman, Mark
2004-01-01
An improved timing scheme has been conceived for operation of a scanning satellite-borne rain-measuring radar system. The scheme allows a real-time-generated solution, which is required for auto targeting. The current timing scheme used in radar satellites involves pre-computing a solution that allows the instrument to catch all transmitted pulses without transmitting and receiving at the same time. Satellite altitude requires many pulses in flight at any time, and the timing solution to prevent transmit and receive operations from colliding is usually found iteratively. The proposed satellite has a large number of scanning beams each with a different range to target and few pulses per beam. Furthermore, the satellite will be self-targeting, so the selection of which beams are used will change from sweep to sweep. The proposed timing solution guarantees no echo collisions, can be generated using simple FPGA-based hardware in real time, and can be mathematically shown to deliver the maximum number of pulses per second, given the timing constraints. The timing solution is computed every sweep, and consists of three phases: (1) a build-up phase, (2) a feedback phase, and (3) a build-down phase. Before the build-up phase can begin, the beams to be transmitted are sorted in numerical order. The numerical order of the beams is also the order from shortest range to longest range. Sorting the list guarantees no pulse collisions. The build-up phase begins by transmitting the first pulse from the first beam on the list. Transmission of this pulse starts a delay counter, which stores the beam number and the time delay to the beginning of the receive window for that beam. The timing generator waits just long enough to complete the transmit pulse plus one receive window, then sends out the second pulse. The second pulse starts a second delay counter, which stores its beam number and time delay. This process continues until an output from the first timer indicates there is less
NASA Astrophysics Data System (ADS)
Yun, Dong-Jin; Shin, Weon-Ho; Bulliard, Xavier; Park, Jong Hwan; Kim, Seyun; Chung, Jae Gwan; Kim, Yongsu; Heo, Sung; Kim, Seong Heon
2016-08-01
A novel, direct method for the characterization of the energy level alignments at bulk-heterojunction (BHJ)/electrode interfaces on the basis of electronic spectroscopy measurements is proposed. The home-made in situ photoemission system is used to perform x-ray/ultraviolet photoemission spectroscopy (XPS/UPS), reflection electron energy loss spectroscopy (REELS) and inverse photoemission spectroscopy of organic-semiconductors (OSCs) deposited onto a Au substrate. Through this analysis system, we are able to obtain the electronic structures of a boron subphthalocyanine chloride:fullerene (SubPC:C60) BHJ and those of the separate OSC/electrode structures (SubPC/Au and C60/Au). Morphology and chemical composition analyses confirm that the original SubPC and C60 electronic structures remain unchanged in the electrodes prepared. Using this technique, we ascertain that the position and area of the nearest peak to the Fermi energy (EF = 0 eV) in the UPS (REELS) spectra of SubPC:C60 BHJ provide information on the highest occupied molecular orbital level (optical band gap) and combination ratio of the materials, respectively. Thus, extracting the adjusted spectrum from the corresponding SubPC:C60 BHJ UPS (REELS) spectrum reveals its electronic structure, equivalent to that of the C60 materials. This novel analytical approach allows complete energy-level determination for each combination ratio by separating its electronic structure information from the BHJ spectrum.
Lee, Min-Woo; Kim, Jae-Yup; Son, Hae Jung; Kim, Jin Young; Kim, BongSoo; Kim, Honggon; Lee, Doh-Kwon; Kim, Kyungkon; Lee, Duck-Hyung; Ko, Min Jae
2015-01-01
A molecular design is presented for tailoring the energy levels in D-π-A organic dyes through fluorination of their acceptor units, which is aimed at achieving efficient dye-sensitized solar cells (DSSCs). This is achieved by exploiting the chemical structure of common D-π-A organic dyes and incorporating one or two fluorine atoms at the ortho-positions of the cyanoacetic acid as additional acceptor units. As the number of incorporated fluorine atoms increases, the LUMO energy level of the organic dye is gradually lowered due to the electron-withdrawing effect of fluorine, which ultimately results in a gradual reduction of the HOMO-LUMO energy gap and an improvement in the spectral response. Systematic investigation of the effects of incorporating fluorine on the photovoltaic properties of DSSCs reveals an upshift in the conduction-band potential of the TiO2 electrode during impedance analysis; however, the incorporation of fluorine also results in an increased electron recombination rate, leading to a decrease in the open-circuit voltage (Voc). Despite this limitation, the conversion efficiency is gradually enhanced as the number of incorporated fluorine atoms is increased, which is attributed to the highly improved spectral response and photocurrent. PMID:25591722
NASA Astrophysics Data System (ADS)
Aggarwal, Kanti M.; Keenan, Francis P.
2013-04-01
We report calculations of energy levels, radiative rates and electron impact excitation cross sections and rates for transitions in He-like Ga XXX, Ge XXXI, As XXXII, Se XXXIII and Br XXXIV. The grasp (general-purpose relativistic atomic structure package) is adopted for calculating energy levels and radiative rates. For determining the collision strengths, and subsequently the excitation rates, the Dirac atomic R-matrix code (darc) is used. Oscillator strengths, radiative rates and line strengths are reported for all E1, E2, M1 and M2 transitions among the lowest 49 levels of each ion. Additionally, theoretical lifetimes are provided for all 49 levels of the above five ions. Collision strengths are averaged over a Maxwellian velocity distribution and the effective collision strengths obtained listed over a wide temperature range up to 108 K. Comparisons are made with similar data obtained using the flexible atomic code (fac) to highlight the importance of resonances, included in calculations with darc, in the determination of effective collision strengths. Discrepancies between the collision strengths from darc and fac, particularly for some forbidden transitions, are also discussed. Finally, discrepancies between the present results for effective collision strengths with the darc code and earlier semi-relativistic R-matrix data are noted over a wide range of electron temperatures for many transitions in all ions.
Yun, Dong-Jin; Shin, Weon-Ho; Bulliard, Xavier; Park, Jong Hwan; Kim, Seyun; Chung, Jae Gwan; Kim, Yongsu; Heo, Sung; Kim, Seong Heon
2016-08-26
A novel, direct method for the characterization of the energy level alignments at bulk-heterojunction (BHJ)/electrode interfaces on the basis of electronic spectroscopy measurements is proposed. The home-made in situ photoemission system is used to perform x-ray/ultraviolet photoemission spectroscopy (XPS/UPS), reflection electron energy loss spectroscopy (REELS) and inverse photoemission spectroscopy of organic-semiconductors (OSCs) deposited onto a Au substrate. Through this analysis system, we are able to obtain the electronic structures of a boron subphthalocyanine chloride:fullerene (SubPC:C60) BHJ and those of the separate OSC/electrode structures (SubPC/Au and C60/Au). Morphology and chemical composition analyses confirm that the original SubPC and C60 electronic structures remain unchanged in the electrodes prepared. Using this technique, we ascertain that the position and area of the nearest peak to the Fermi energy (EF = 0 eV) in the UPS (REELS) spectra of SubPC:C60 BHJ provide information on the highest occupied molecular orbital level (optical band gap) and combination ratio of the materials, respectively. Thus, extracting the adjusted spectrum from the corresponding SubPC:C60 BHJ UPS (REELS) spectrum reveals its electronic structure, equivalent to that of the C60 materials. This novel analytical approach allows complete energy-level determination for each combination ratio by separating its electronic structure information from the BHJ spectrum. PMID:27420635
NASA Astrophysics Data System (ADS)
Bari, M. A.; Nazir, R. T.; Nasim, M. H.; Duan, B.; Azeem, M.; Shabbir Naz, G.; Salahuddin, M.
2015-01-01
We present the fine-structure energy levels, wavelengths, oscillator strengths, transition energies, and transition rates of optically allowed inner-shell transitions of Ne-, Ni-, and Cu-like uranium ions by using the multiconfiguration Dirac-Fock method with the fully relativistic GRASP2 code (partly improved by us). In order to compare these results, we have performed other independent calculations with a fully relativistic Flexible Atomic Code (FAC). We have determined extensive configuration interaction wavefunctions to calculate the level energies of the inner-shell excited states of these three uranium ionic states. Overall, our calculated energy levels, wavelengths, transition rates, and oscillator strengths within the levels of selected configurations show better agreement with the available experimental and other theoretical results. Furthermore, we report radiative lifetimes of all the excited states of these three uranium ions. We also present many unpublished data about energy values, wavelengths, transitions rates, and oscillator strengths for inner-shell transitions. We believe that our calculated inner shell transition energies are of interest for the analysis of uranium x-ray spectra.
Hot water emission spectra: Rotational energy levels of the (0 0 0) and (0 1 0) states of HD17O
NASA Astrophysics Data System (ADS)
Mellau, Georg Ch.; Mikhailenko, Semen N.; Tyuterev, Vladimir G.
2015-02-01
The rotational transitions of the HD17O water isotopologue have been assigned in a high temperature emission spectrum between 320 and 520 cm-1 of water vapor enriched by deuterium and 17O. We assigned 169 emission lines to 189 partly overlapping transitions of pure rotational and the ν2-ν2 rotational bands. A new extended set of 390 rotational energy levels for the (0 0 0) and (0 1 0) vibration states of HD17O up to J = 17 and Ka = 13 was obtained by combination of the new line transitions with those reported in previous studies. We constructed an effective rotational Hamiltonian based on the generation function approach. For this Hamiltonian the deviation between calculated and measured eigenenergies is in the order of 0.001 cm-1. We report a new calculated linelist based on our new energy level list. Our linelist supersedes the IUPAC linelist for the HD17O water isotopologue as it is based on a substantially extended set of accurate transition wavenumbers.
NASA Astrophysics Data System (ADS)
Winnewisser, Manfred; Winnewisser, Brenda P.; Medvedev, Ivan R.; De Lucia, Frank, C.; Ross, Stephen C.; Koput, Jacek
2010-06-01
Quantum Monodromy has a strong impact on the ro-vibrational energy levels of chain molecules whose bending potential energy function has the form of the bottom of a champagne bottle (i.e. with a hump or punt) around the linear configuration. NCNCS is a particularly good example of such a molecule and clearly exhibits a distinctive monodromy-induced dislocation of the energy level pattern at the top of the potential energy hump. The generalized semi-rigid bender (GSRB) wave functions are used to show that the expectation values of any physical quantity which varies with the large amplitude bending coordinate will also have monodromy-induced dislocations. This includes the electric dipole moment components. High level ab initio calculations not only provided the molecular equilibrium structure of NCNCS, but also the electric dipole moment components μa and μb as functions of the large-amplitude bending coordinate. The calculated expectation values of these quantities indicate large ro-vibrational transition moments that will be discussed in pursuit of possible far-infrared bands. To our knowledge there is no NCNCS infrared spectrum reported in the literature. B. P. Winnewisser, M. Winnewisser, I. R. Medvedev, F. C. De Lucia, S. C. Ross and J. Koput, Phys. Chem. Chem. Phys., 2010, DOI:10.1039/B922023B.
Abou El-Maaref, A.; Uosif, M.A.M.; Allam, S.H.; El-Sherbini, Th.M.
2012-07-15
Fine-structure calculations of energy levels, oscillator strengths, and transition probabilities for transitions among the terms belonging to 3s{sup 2}3p{sup 2}, 3s3p{sup 3}, 3s{sup 2}3p3d, 3s{sup 2}3p4s, 3s{sup 2}3p4p, 3s{sup 2}3p4d, 3s{sup 2}3p5s and 3s{sup 2}3p5p configurations of silicon-like ions P II, S III, Cl IV, Ar V and K VI have been calculated using configuration-interaction version 3 (CIV3). We compared our data with the available experimental data and other theoretical calculations. Most of our calculations of energy levels and oscillator strengths (in length form) show good agreement with both experimental and theoretical data. Lifetimes of the excited levels are also given.
Feldman, U.; Doschek, G.A. . E-mail: george.doschek@nrl.navy.mil
2007-09-15
We list observed parity-forbidden and spin-forbidden lines in the 500-1600 A range emitted by solar coronal plasmas and derive improved energy levels from their wavelengths. The lines, emitted by astrophysical abundant elements, belong to transitions within the ground configurations of the type ns{sup 2} np {sup k}, for n = 2, 3 and k = 0-5, and between the lowest term of the first excited configuration 2s2p {sup k+1} and the 2s{sup 2}2p {sup k} ground configurations for k = 0, 1, 2. For each line we give the newly measured wavelength, and the measured or predicted wavelength from the NIST Atomic Spectra Database (ASD) (which except for a few cases includes the previously reported compilation of Kaufman and Sugar [J. Phys. Chem. Ref. Data 15 (1986) 321]), and the values of the transition probability taken from the ASD and CHIANTI database. The list contains measured wavelengths of 136 lines of which over 100 were not available for the Kaufman and Sugar compilation. In addition we provide energy levels that were derived from the reported lines.
Hamasha, Safeia
2013-11-15
The fully relativistic configuration interaction method of the FAC code is used to calculate atomic data for multipole transitions in Mg-like Au (Au{sup 67+}) and Al-like Au (Au{sup 66+}) ions. Generated atomic data are important in the modeling of M-shell spectra for heavy Au ions and Au plasma diagnostics. Energy levels, oscillator strengths and transition rates are calculated for electric-dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) for transitions between excited and ground states 3l−nl{sup ′}, such that n=4,5,6,7. The local central potential is derived using the Dirac–Fock–Slater method. Correlation effects to all orders are considered by the configuration interaction expansion. All relativistic effects are included in the calculations. Calculated energy levels are compared against published values that were calculated using the multi-reference many body perturbation theory, which includes higher order QED effects. Favorable agreement was observed, with less than 0.15% difference.
Ionization Scheme Development at the ISOLDE RILIS
NASA Astrophysics Data System (ADS)
Fedosseev, V. N.; Marsh, B. A.; Fedorov, D. V.; Köster, U.; Tengborn, E.
2005-04-01
The resonance ionization laser ion source (RILIS) of the ISOLDE on-line isotope separation facility is based on the method of laser step-wise resonance ionization of atoms in a hot metal cavity. The atomic selectivity of the RILIS complements the mass selection process of the ISOLDE separator magnets to provide beams of a chosen isotope with greatly reduced isobaric contamination. Using a system of dye lasers pumped by copper vapour lasers, ion beams of 24 elements have been generated at ISOLDE with ionization efficiencies in the range of 0.5-15%. As part of the ongoing RILIS development off-line resonance ionization spectroscopy studies carried out in 2003 and 2004 have determined the optimal three-step ionization schemes for scandium, antimony, dysprosium and yttrium.
Evolution of Advection Upstream Splitting Method Schemes
NASA Technical Reports Server (NTRS)
Liou, Meng-Sing
2010-01-01
This paper focuses on the evolution of advection upstream splitting method(AUSM) schemes. The main ingredients that have led to the development of modern computational fluid dynamics (CFD) methods have been reviewed, thus the ideas behind AUSM. First and foremost is the concept of upwinding. Second, the use of Riemann problem in constructing the numerical flux in the finite-volume setting. Third, the necessity of including all physical processes, as characterised by the linear (convection) and nonlinear (acoustic) fields. Fourth, the realisation of separating the flux into convection and pressure fluxes. The rest of this review briefly outlines the technical evolution of AUSM and more details can be found in the cited references. Keywords: Computational fluid dynamics methods, hyperbolic systems, advection upstream splitting method, conservation laws, upwinding, CFD
Practical calculation scheme for generalized seniority
NASA Astrophysics Data System (ADS)
Jia, L. Y.
2015-11-01
We propose a scheme or procedure for performing practical calculations with generalized seniority. It reduces the total computing time by precalculating a set of intermediate quantities. We show that practically the computational (time and space) complexity of the algorithm does not depend on the valence particle number, in sharp contrast to the standard shell model. The method is demonstrated in semi-magic nuclei {}{46,48,50}Ca, 116Sn, and 182Pb, where the low-lying states could be well reproduced through achieved convergence at high generalized seniority. Odd particle-number systems or possible three-body terms from the Hamiltonian could be treated by the same formalism without complication.
M1 excitation scheme in deformed nuclei
NASA Astrophysics Data System (ADS)
Otsuka, Takaharu; Morrison, Iain
1991-10-01
We present the M1 excitation scheme in even-even deformed nuclei from the sum-rule viewpoint based on the Nilsson+BCS approach. The sum-rule states are introduced for the Scissors, spin and spin-flip modes. The functional form of the B(M1) sum rule of the Scissors mode is obtained, and its actual value is shown to be 4˜6(μN2). The spin excitation B(M1) is 10˜15(μN2) including the spin-flip transitions. The total B(M1) is 15˜20(μN2). The effect of the SD and SDG pair truncation is studied to test IBM-2 for M1 excitations. The SDG truncation reproduces very well the calculation without truncation. The SD truncation reproduces the orbital excitation, whereas yields some deviations for the spin excitation.
Multi-resolution analysis for ENO schemes
NASA Technical Reports Server (NTRS)
Harten, Ami
1991-01-01
Given an function, u(x), which is represented by its cell-averages in cells which are formed by some unstructured grid, we show how to decompose the function into various scales of variation. This is done by considering a set of nested grids in which the given grid is the finest, and identifying in each locality the coarsest grid in the set from which u(x) can be recovered to a prescribed accuracy. This multi-resolution analysis was applied to essentially non-oscillatory (ENO) schemes in order to advance the solution by one time-step. This is accomplished by decomposing the numerical solution at the beginning of each time-step into levels of resolution, and performing the computation in each locality at the appropriate coarser grid. An efficient algorithm for implementing this program in the 1-D case is presented; this algorithm can be extended to the multi-dimensional case with Cartesian grids.
A Scheme for Targeting Optical SETI Observations
NASA Astrophysics Data System (ADS)
Shostak, Seth
2004-06-01
In optical SETI (OSETI) experiments, it is generally assumed that signals will be deliberate, narrowly targeted beacons sent by extraterrestrial societies to large numbers of candidate star systems. If this is so, then it may be unrealistic to expect a high duty cycle for the received signal. Ergo, an advantage accrues to any OSETI scheme that realistically suggests where and when to search. In this paper, we elaborate a proposal (Castellano, Doyle, &McIntosh 2000) for selecting regions of sky for intensive optical SETI monitoring based on characteristics of our solar system that would be visible at great distance. This can enormously lessen the amount of sky that needs to be searched. In addition, this is an attractive approach for the transmitting society because it both increases the chances of reception and provides a large reduction in energy required. With good astrometric information, the transmitter need be no more powerful than an automobile tail light.
Plastics waste trashes German recycling scheme
Chynoweth, E.
1993-06-30
Plastics waste is causing a major headache for Duales System Deutschland (DSD: Bonn), one of Europe`s groundbreaking national packaging recycling programs. Five of Germany`s states have threatened to withdraw from the plan mainly because of the lack of plastics recycling capacity, says a DSD spokeswoman. {open_quotes}The pace of establishing recycling capacity does not meet the zeal in collection.{close_quotes} she notes. In addition, the organization has been crippled by a lack of funds. It claims that up to half the subscribers to the scheme - who pay a fee to display a green dot on packaging - are either irregular payers or not paying fees in proportion to their use of the green dot. The cost of setting up and paying for plastics recycling - not originally part of DSD`s responsibility - is also hurting the organization.
A New Class of Finite Difference Schemes
NASA Technical Reports Server (NTRS)
Mahesh, K.
1996-01-01
Fluid flows in the transitional and turbulent regimes possess a wide range of length and time scales. The numerical computation of these flows therefore requires numerical methods that can accurately represent the entire, or at least a significant portion, of this range of scales. The inaccurate representation of small scales is inherent to non-spectral schemes. This can be detrimental to computations where the energy in the small scales is comparable to that in the larger scales, e.g. large-eddy simulations of high Reynolds number turbulence. The inaccurate numerical representation of the small scales in these large-eddy simulations can result in the numerical error overwhelming the contribution of the subgrid-scale model.
Finite element or Galerkin type semidiscrete schemes
NASA Technical Reports Server (NTRS)
Durgun, K.
1983-01-01
A finite element of Galerkin type semidiscrete method is proposed for numerical solution of a linear hyperbolic partial differential equation. The question of stability is reduced to the stability of a system of ordinary differential equations for which Dahlquist theory applied. Results of separating the part of numerical solution which causes the spurious oscillation near shock-like response of semidiscrete scheme to a step function initial condition are presented. In general all methods produce such oscillatory overshoots on either side of shocks. This overshoot pathology, which displays a behavior similar to Gibb's phenomena of Fourier series, is explained on the basis of dispersion of separated Fourier components which relies on linearized theory to be satisfactory. Expository results represented.
Efficient Conservative Reformulation Schemes for Lithium Intercalation
Urisanga, PC; Rife, D; De, S; Subramanian, VR
2015-02-18
Porous electrode theory coupled with transport and reaction mechanisms is a widely used technique to model Li-ion batteries employing an appropriate discretization or approximation for solid phase diffusion with electrode particles. One of the major difficulties in simulating Li-ion battery models is the need to account for solid phase diffusion in a second radial dimension r, which increases the computation time/cost to a great extent. Various methods that reduce the computational cost have been introduced to treat this phenomenon, but most of them do not guarantee mass conservation. The aim of this paper is to introduce an inherently mass conserving yet computationally efficient method for solid phase diffusion based on Lobatto III A quadrature. This paper also presents coupling of the new solid phase reformulation scheme with a macro-homogeneous porous electrode theory based pseudo 20 model for Li-ion battery. (C) The Author(s) 2015. Published by ECS. All rights reserved.
Development and evaluation of packet video schemes
NASA Technical Reports Server (NTRS)
Sayood, Khalid; Chen, Y. C.; Hadenfeldt, A. C.
1990-01-01
Reflecting the two tasks proposed for the current year, namely a feasibility study of simulating the NASA network, and a study of progressive transmission schemes, are presented. The view of the NASA network, gleaned from the various technical reports made available to use, is provided. Also included is a brief overview of how the current simulator could be modified to accomplish the goal of simulating the NASA network. As the material in this section would be the basis for the actual simulation, it is important to make sure that it is an accurate reflection of the requirements on the simulator. Brief descriptions of the set of progressive transmission algorithms selected for the study are contained. The results available in the literature were obtained under a variety of different assumptions, not all of which are stated. As such, the only way to compare the efficiency and the implementational complexity of the various algorithms is to simulate them.
Recycling scheme for twin BWRs reactors
Ramirez-Sanchez, J. R.; Perry, R. T.; Gustavo Alonso, V.; Javier Palacios, H.
2006-07-01
To asses the advantages of reprocess and recycle the spent fuel from nuclear power reactors, against a once through policy, a MOX fuel design is proposed to match a generic scenario for twin BWRs and establish a fuel management scheme. Calculations for the amount of fuel that the plants will use during 40 years of operation were done, and an evaluation of costs using constant money method for each option applying current prices for uranium and services were made. Finally a comparison between the options was made, resulting that even the current high prices of uranium, still the recycling option is more expensive that the once through alternative. But reprocessing could be an alternative to reduce the amount of spent fuel stored in the reactor pools. (authors)
Ren, Yinghui; Li, Bin; Bian, Wensheng
2011-02-14
Full-dimensional quantum dynamics calculations of vinylidene-acetylene isomerization are performed and the state-specific resonance decay lifetimes of vinylidene(-d(2)) are computed. The theoretical scheme is a combination of several methods: normal coordinates are chosen to describe the nuclear motion of vinylidene, with both the parity and permutation symmetry exploited; phase space optimization in combination with physical considerations is used to generate an efficient discrete variable representation; the reaction coordinate is defined by us according to the three most relevant normal coordinates, along which a kind of optimal complex absorbing potential is imposed; the preconditioned inexact spectral transform method combined with an efficient preconditioner is employed to extract the energies and lifetimes of vinylidene. The overall computation is efficient. The computed energy levels generally agree with experiment well, and several state-specific lifetimes are reported for the first time. PMID:21186383
Investigation of Near Shannon Limit Coding Schemes
NASA Technical Reports Server (NTRS)
Kwatra, S. C.; Kim, J.; Mo, Fan
1999-01-01
Turbo codes can deliver performance that is very close to the Shannon limit. This report investigates algorithms for convolutional turbo codes and block turbo codes. Both coding schemes can achieve performance near Shannon limit. The performance of the schemes is obtained using computer simulations. There are three sections in this report. First section is the introduction. The fundamental knowledge about coding, block coding and convolutional coding is discussed. In the second section, the basic concepts of convolutional turbo codes are introduced and the performance of turbo codes, especially high rate turbo codes, is provided from the simulation results. After introducing all the parameters that help turbo codes achieve such a good performance, it is concluded that output weight distribution should be the main consideration in designing turbo codes. Based on the output weight distribution, the performance bounds for turbo codes are given. Then, the relationships between the output weight distribution and the factors like generator polynomial, interleaver and puncturing pattern are examined. The criterion for the best selection of system components is provided. The puncturing pattern algorithm is discussed in detail. Different puncturing patterns are compared for each high rate. For most of the high rate codes, the puncturing pattern does not show any significant effect on the code performance if pseudo - random interleaver is used in the system. For some special rate codes with poor performance, an alternative puncturing algorithm is designed which restores their performance close to the Shannon limit. Finally, in section three, for iterative decoding of block codes, the method of building trellis for block codes, the structure of the iterative decoding system and the calculation of extrinsic values are discussed.
Topology-independent shape modeling scheme
NASA Astrophysics Data System (ADS)
Malladi, Ravikanth; Sethian, James A.; Vemuri, Baba C.
1993-06-01
Developing shape models is an important aspect of computer vision research. Geometric and differential properties of the surface can be computed from shape models. They also aid the tasks of object representation and recognition. In this paper we present an innovative new approach for shape modeling which, while retaining important features of the existing methods, overcomes most of their limitations. Our technique can be applied to model arbitrarily complex shapes, shapes with protrusions, and to situations where no a priori assumption about the object's topology can be made. A single instance of our model, when presented with an image having more than one object of interest, has the ability to split freely to represent each object. Our method is based on the level set ideas developed by Osher & Sethian to follow propagating solid/liquid interfaces with curvature-dependent speeds. The interface is a closed, nonintersecting, hypersurface flowing along its gradient field with constant speed or a speed that depends on the curvature. We move the interface by solving a `Hamilton-Jacobi' type equation written for a function in which the interface is a particular level set. A speed function synthesized from the image is used to stop the interface in the vicinity of the object boundaries. The resulting equations of motion are solved by numerical techniques borrowed from the technology of hyperbolic conservation laws. An added advantage of this scheme is that it can easily be extended to any number of space dimensions. The efficacy of the scheme is demonstrated with numerical experiments on synthesized images and noisy medical images.
Quantum attack-resistent certificateless multi-receiver signcryption scheme.
Li, Huixian; Chen, Xubao; Pang, Liaojun; Shi, Weisong
2013-01-01
The existing certificateless signcryption schemes were designed mainly based on the traditional public key cryptography, in which the security relies on the hard problems, such as factor decomposition and discrete logarithm. However, these problems will be easily solved by the quantum computing. So the existing certificateless signcryption schemes are vulnerable to the quantum attack. Multivariate public key cryptography (MPKC), which can resist the quantum attack, is one of the alternative solutions to guarantee the security of communications in the post-quantum age. Motivated by these concerns, we proposed a new construction of the certificateless multi-receiver signcryption scheme (CLMSC) based on MPKC. The new scheme inherits the security of MPKC, which can withstand the quantum attack. Multivariate quadratic polynomial operations, which have lower computation complexity than bilinear pairing operations, are employed in signcrypting a message for a certain number of receivers in our scheme. Security analysis shows that our scheme is a secure MPKC-based scheme. We proved its security under the hardness of the Multivariate Quadratic (MQ) problem and its unforgeability under the Isomorphism of Polynomials (IP) assumption in the random oracle model. The analysis results show that our scheme also has the security properties of non-repudiation, perfect forward secrecy, perfect backward secrecy and public verifiability. Compared with the existing schemes in terms of computation complexity and ciphertext length, our scheme is more efficient, which makes it suitable for terminals with low computation capacity like smart cards. PMID:23967037
MIMO transmit scheme based on morphological perceptron with competitive learning.
Valente, Raul Ambrozio; Abrão, Taufik
2016-08-01
This paper proposes a new multi-input multi-output (MIMO) transmit scheme aided by artificial neural network (ANN). The morphological perceptron with competitive learning (MP/CL) concept is deployed as a decision rule in the MIMO detection stage. The proposed MIMO transmission scheme is able to achieve double spectral efficiency; hence, in each time-slot the receiver decodes two symbols at a time instead one as Alamouti scheme. Other advantage of the proposed transmit scheme with MP/CL-aided detector is its polynomial complexity according to modulation order, while it becomes linear when the data stream length is greater than modulation order. The performance of the proposed scheme is compared to the traditional MIMO schemes, namely Alamouti scheme and maximum-likelihood MIMO (ML-MIMO) detector. Also, the proposed scheme is evaluated in a scenario with variable channel information along the frame. Numerical results have shown that the diversity gain under space-time coding Alamouti scheme is partially lost, which slightly reduces the bit-error rate (BER) performance of the proposed MP/CL-NN MIMO scheme. PMID:27135805
Efficient and Anonymous Authentication Scheme for Wireless Body Area Networks.
Wu, Libing; Zhang, Yubo; Li, Li; Shen, Jian
2016-06-01
As a significant part of the Internet of Things (IoT), Wireless Body Area Network (WBAN) has attract much attention in this years. In WBANs, sensors placed in or around the human body collect the sensitive data of the body and transmit it through an open wireless channel in which the messages may be intercepted, modified, etc. Recently, Wang et al. presented a new anonymous authentication scheme for WBANs and claimed that their scheme can solve the security problems in the previous schemes. Unfortunately, we demonstrate that their scheme cannot withstand impersonation attack. Either an adversary or a malicious legal client could impersonate another legal client to the application provider. In this paper, we give the detailed weakness analysis of Wang et al.'s scheme at first. Then we present a novel anonymous authentication scheme for WBANs and prove that it's secure under a random oracle model. At last, we demonstrate that our presented anonymous authentication scheme for WBANs is more suitable for practical application than Wang et al.'s scheme due to better security and performance. Compared with Wang et al.'s scheme, the computation cost of our scheme in WBANs has reduced by about 31.58%. PMID:27091755
Security analysis and improvements of arbitrated quantum signature schemes
Zou Xiangfu; Qiu Daowen
2010-10-15
A digital signature is a mathematical scheme for demonstrating the authenticity of a digital message or document. For signing quantum messages, some arbitrated quantum signature (AQS) schemes have been proposed. It was claimed that these AQS schemes could guarantee unconditional security. However, we show that they can be repudiated by the receiver Bob. To conquer this shortcoming, we construct an AQS scheme using a public board. The AQS scheme not only avoids being disavowed by the receiver but also preserves all merits in the existing schemes. Furthermore, we discover that entanglement is not necessary while all these existing AQS schemes depend on entanglement. Therefore, we present another AQS scheme without utilizing entangled states in the signing phase and the verifying phase. This scheme has three advantages: it does not utilize entangled states and it preserves all merits in the existing schemes; the signature can avoid being disavowed by the receiver; and it provides a higher efficiency in transmission and reduces the complexity of implementation.
Quantum Attack-Resistent Certificateless Multi-Receiver Signcryption Scheme
Li, Huixian; Chen, Xubao; Pang, Liaojun; Shi, Weisong
2013-01-01
The existing certificateless signcryption schemes were designed mainly based on the traditional public key cryptography, in which the security relies on the hard problems, such as factor decomposition and discrete logarithm. However, these problems will be easily solved by the quantum computing. So the existing certificateless signcryption schemes are vulnerable to the quantum attack. Multivariate public key cryptography (MPKC), which can resist the quantum attack, is one of the alternative solutions to guarantee the security of communications in the post-quantum age. Motivated by these concerns, we proposed a new construction of the certificateless multi-receiver signcryption scheme (CLMSC) based on MPKC. The new scheme inherits the security of MPKC, which can withstand the quantum attack. Multivariate quadratic polynomial operations, which have lower computation complexity than bilinear pairing operations, are employed in signcrypting a message for a certain number of receivers in our scheme. Security analysis shows that our scheme is a secure MPKC-based scheme. We proved its security under the hardness of the Multivariate Quadratic (MQ) problem and its unforgeability under the Isomorphism of Polynomials (IP) assumption in the random oracle model. The analysis results show that our scheme also has the security properties of non-repudiation, perfect forward secrecy, perfect backward secrecy and public verifiability. Compared with the existing schemes in terms of computation complexity and ciphertext length, our scheme is more efficient, which makes it suitable for terminals with low computation capacity like smart cards. PMID:23967037
Security analysis and improvements of arbitrated quantum signature schemes
NASA Astrophysics Data System (ADS)
Zou, Xiangfu; Qiu, Daowen
2010-10-01
A digital signature is a mathematical scheme for demonstrating the authenticity of a digital message or document. For signing quantum messages, some arbitrated quantum signature (AQS) schemes have been proposed. It was claimed that these AQS schemes could guarantee unconditional security. However, we show that they can be repudiated by the receiver Bob. To conquer this shortcoming, we construct an AQS scheme using a public board. The AQS scheme not only avoids being disavowed by the receiver but also preserves all merits in the existing schemes. Furthermore, we discover that entanglement is not necessary while all these existing AQS schemes depend on entanglement. Therefore, we present another AQS scheme without utilizing entangled states in the signing phase and the verifying phase. This scheme has three advantages: it does not utilize entangled states and it preserves all merits in the existing schemes; the signature can avoid being disavowed by the receiver; and it provides a higher efficiency in transmission and reduces the complexity of implementation.
NASA Astrophysics Data System (ADS)
Quagliano, John Romolo
Energy-level state structures of Nd^ {3+} (4f^3) and Er^{3+} (4f^ {11}) electronic configurations were analyzed in a total of 13 distinct chemical systems. The 13 systems included seven crystalline hosts that contain Nd ^{3+} ions (four garnets, one nonahydrate, one hexachloride, and one hexabromide), and six that contain Er^{3+} ions (three garnets, one oxalate-bioxalate, one hexachloride, and one hexabromide). Single crystal absorption spectra (polarized and unpolarized) and optical intensity data have been acquired for neat (rm Nd(H_2O)_9) (CF _3rm SO_3)_3 at cryogenic temperatures over the UV to near-IR energy range. Single crystal polarized orthoaxial absorption, excitation, and emission experiments were performed on Er^{3+}-doped CsCdBr _3. Model Hamiltonians were developed and used to calculate lanthanide 4f^{rm N } electronic structures. These Hamiltonians were constructed and parametrized to represent both atomic and crystal-field interactions in various host materials. A Hamiltonian with atomic and first-order crystal-field operators gave a very good initial description of the energy-level structures, and a second-order correlation crystal-field (CCF) refinement produced excellent results for some multiplet manifolds that are not well characterized by the first -order (one-particle) crystal-field interactions alone. The ^2rm H(2)_{11/2} , ^2{F}(2)_ {5/2}, and ^2rm F(2) _{7/2} multiplet manifolds of Nd ^{3+} and the ^2rm H(2)_{9/2}, ^2H(2) _{11/2}, and ^4 rm G_{11/2} multiplet manifolds of Er^{3+} were markedly improved after a maximum of three CCF operators were added to the Hamiltonian. The studies showed that since the Nd^{3+} and Er ^{3+} ions share the same SLJ (Russell -Saunders) basis of atomic states, then their respective energy-level structures are sensitive to the same CCF operators. The magnitudes of the CCF interactions were found to be typically 10% of the first-order one-particle crystal-field interactions. The present work establishes a new