WorldWideScience

Sample records for average charge state

  1. State Averages

    Data.gov (United States)

    U.S. Department of Health & Human Services — A list of a variety of averages for each state or territory as well as the national average, including each quality measure, staffing, fine amount and number of...

  2. Average charge states of heavy and superheavy ions passing through a rarified gas : Theory and experiment

    NARCIS (Netherlands)

    Khuyagbaatar, J.; Shevelko, V. P.; Borschevsky, A.; Duellmann, Ch. E.; Tolstikhina, I. Yu.; Yakushev, A.

    2013-01-01

    The average charge states (q) over bar of heavy and superheavy ions (atomic numbers Z = 80-114) passing through He gas are studied experimentally and theoretically. Experimental data were measured at the gas-filled recoil separator, i.e., the TransActinide Separator and Chemistry Apparatus (TASCA) a

  3. Average charge states of heavy and superheavy ions passing through a rarified gas: Theory and experiment

    Science.gov (United States)

    Khuyagbaatar, J.; Shevelko, V. P.; Borschevsky, A.; Düllmann, Ch. E.; Tolstikhina, I. Yu.; Yakushev, A.

    2013-10-01

    The average charge states q¯ of heavy and superheavy ions (atomic numbers Z=80-114) passing through He gas are studied experimentally and theoretically. Experimental data were measured at the gas-filled recoil separator, i.e., the TransActinide Separator and Chemistry Apparatus (TASCA) at GSI Darmstadt, for ion energies of a few hundred keV/u at gas pressures of 0.2 to 2.0 mbar. An attempt is made to describe experimental q¯ values by means of atomic calculations of the binding energies and electron-loss and electron-capture cross sections. The influence of the gas-density effect is included in the calculations. The calculated q¯ reproduce the experimental values for elements with Z=80-114 within 20%. A comparison with different semiempirical models is presented as well, including a local fit of high accuracy, which is often used in superheavy-element experiments to estimate the average charge states of heavy ions, e.g., at the gas-filled recoil separator TASCA. The q¯ values for elements with Z=115, 117, 119, and 120 at He-gas pressure of 0.8 mbar are predicted.

  4. Charging for computer usage with average cost pricing

    CERN Document Server

    Landau, K

    1973-01-01

    This preliminary report, which is mainly directed to commercial computer centres, gives an introduction to the application of average cost pricing when charging for using computer resources. A description of the cost structure of a computer installation shows advantages and disadvantages of average cost pricing. This is completed by a discussion of the different charging-rates which are possible. (10 refs).

  5. Canonical-ensemble state-averaged complete active space self-consistent field (SA-CASSCF) strategy for problems with more diabatic than adiabatic states: Charge-bond resonance in monomethine cyanines

    Science.gov (United States)

    Olsen, Seth

    2015-01-01

    This paper reviews basic results from a theory of the a priori classical probabilities (weights) in state-averaged complete active space self-consistent field (SA-CASSCF) models. It addresses how the classical probabilities limit the invariance of the self-consistency condition to transformations of the complete active space configuration interaction (CAS-CI) problem. Such transformations are of interest for choosing representations of the SA-CASSCF solution that are diabatic with respect to some interaction. I achieve the known result that a SA-CASSCF can be self-consistently transformed only within degenerate subspaces of the CAS-CI ensemble density matrix. For uniformly distributed ("microcanonical") SA-CASSCF ensembles, self-consistency is invariant to any unitary CAS-CI transformation that acts locally on the ensemble support. Most SA-CASSCF applications in current literature are microcanonical. A problem with microcanonical SA-CASSCF models for problems with "more diabatic than adiabatic" states is described. The problem is that not all diabatic energies and couplings are self-consistently resolvable. A canonical-ensemble SA-CASSCF strategy is proposed to solve the problem. For canonical-ensemble SA-CASSCF, the equilibrated ensemble is a Boltzmann density matrix parametrized by its own CAS-CI Hamiltonian and a Lagrange multiplier acting as an inverse "temperature," unrelated to the physical temperature. Like the convergence criterion for microcanonical-ensemble SA-CASSCF, the equilibration condition for canonical-ensemble SA-CASSCF is invariant to transformations that act locally on the ensemble CAS-CI density matrix. The advantage of a canonical-ensemble description is that more adiabatic states can be included in the support of the ensemble without running into convergence problems. The constraint on the dimensionality of the problem is relieved by the introduction of an energy constraint. The method is illustrated with a complete active space valence

  6. Canonical-ensemble state-averaged complete active space self-consistent field (SA-CASSCF) strategy for problems with more diabatic than adiabatic states: Charge-bond resonance in monomethine cyanines

    Energy Technology Data Exchange (ETDEWEB)

    Olsen, Seth, E-mail: seth.olsen@uq.edu.au [School of Mathematics and Physics, The University of Queensland, Brisbane QLD 4072 (Australia)

    2015-01-28

    This paper reviews basic results from a theory of the a priori classical probabilities (weights) in state-averaged complete active space self-consistent field (SA-CASSCF) models. It addresses how the classical probabilities limit the invariance of the self-consistency condition to transformations of the complete active space configuration interaction (CAS-CI) problem. Such transformations are of interest for choosing representations of the SA-CASSCF solution that are diabatic with respect to some interaction. I achieve the known result that a SA-CASSCF can be self-consistently transformed only within degenerate subspaces of the CAS-CI ensemble density matrix. For uniformly distributed (“microcanonical”) SA-CASSCF ensembles, self-consistency is invariant to any unitary CAS-CI transformation that acts locally on the ensemble support. Most SA-CASSCF applications in current literature are microcanonical. A problem with microcanonical SA-CASSCF models for problems with “more diabatic than adiabatic” states is described. The problem is that not all diabatic energies and couplings are self-consistently resolvable. A canonical-ensemble SA-CASSCF strategy is proposed to solve the problem. For canonical-ensemble SA-CASSCF, the equilibrated ensemble is a Boltzmann density matrix parametrized by its own CAS-CI Hamiltonian and a Lagrange multiplier acting as an inverse “temperature,” unrelated to the physical temperature. Like the convergence criterion for microcanonical-ensemble SA-CASSCF, the equilibration condition for canonical-ensemble SA-CASSCF is invariant to transformations that act locally on the ensemble CAS-CI density matrix. The advantage of a canonical-ensemble description is that more adiabatic states can be included in the support of the ensemble without running into convergence problems. The constraint on the dimensionality of the problem is relieved by the introduction of an energy constraint. The method is illustrated with a complete active space

  7. Low-charge-state linac

    Energy Technology Data Exchange (ETDEWEB)

    Shepard, K.W.; Kim, J.W.

    1995-08-01

    A design is being developed for a low-charge-state linac suitable for injecting ATLAS with a low-charge-state, radioactive beam. Initial work indicates that the existing ATLAS interdigital superconducting accelerating structures, together with the superconducting quadrupole transverse focussing element discussed above, provides a basis for a high-performance low-charge-state linac. The initial 2 or 3 MV of such a linac could be based on a normally-conducting, low-frequency RFQ, possibly combined with 24-MHz superconducting interdigital structures. Beam dynamics studies of the whole low-charge-state post-accelerator section were carried out in early FY 1995.

  8. Experimental Demonstration of Squeezed State Quantum Averaging

    CERN Document Server

    Lassen, Mikael; Sabuncu, Metin; Filip, Radim; Andersen, Ulrik L

    2010-01-01

    We propose and experimentally demonstrate a universal quantum averaging process implementing the harmonic mean of quadrature variances. The harmonic mean protocol can be used to efficiently stabilize a set of fragile squeezed light sources with statistically fluctuating noise levels. The averaged variances are prepared probabilistically by means of linear optical interference and measurement induced conditioning. We verify that the implemented harmonic mean outperforms the standard arithmetic mean strategy. The effect of quantum averaging is experimentally tested both for uncorrelated and partially correlated noise sources with sub-Poissonian shot noise or super-Poissonian shot noise characteristics.

  9. Quantum Averaging of Squeezed States of Light

    DEFF Research Database (Denmark)

    Squeezing has been recognized as the main resource for quantum information processing and an important resource for beating classical detection strategies. It is therefore of high importance to reliably generate stable squeezing over longer periods of time. The averaging procedure for a single qu...

  10. Average fidelity between random quantum states

    CERN Document Server

    Zyczkowski, K; Zyczkowski, Karol; Sommers, Hans-Jurgen

    2003-01-01

    We analyze mean fidelity between random density matrices of size N, generated with respect to various probability measures in the space of mixed quantum states: Hilbert-Schmidt measure, Bures (statistical) measure, the measures induced by partial trace and the natural measure on the space of pure states. In certain cases explicit probability distributions for fidelity are derived.

  11. Average annual runoff in the United States, 1951-80

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This is a line coverage of average annual runoff in the conterminous United States, 1951-1980. Surface runoff Average runoff Surface waters United States

  12. 19 CFR 141.112 - Liens for freight, charges, or contribution in general average.

    Science.gov (United States)

    2010-04-01

    ... general average. 141.112 Section 141.112 Customs Duties U.S. CUSTOMS AND BORDER PROTECTION, DEPARTMENT OF....112 Liens for freight, charges, or contribution in general average. (a) Definitions. The following are... connected with the transportation of the goods. (3) General average. “General average” means the...

  13. Average subentropy, coherence and entanglement of random mixed quantum states

    Science.gov (United States)

    Zhang, Lin; Singh, Uttam; Pati, Arun K.

    2017-02-01

    Compact expressions for the average subentropy and coherence are obtained for random mixed states that are generated via various probability measures. Surprisingly, our results show that the average subentropy of random mixed states approaches the maximum value of the subentropy which is attained for the maximally mixed state as we increase the dimension. In the special case of the random mixed states sampled from the induced measure via partial tracing of random bipartite pure states, we establish the typicality of the relative entropy of coherence for random mixed states invoking the concentration of measure phenomenon. Our results also indicate that mixed quantum states are less useful compared to pure quantum states in higher dimension when we extract quantum coherence as a resource. This is because of the fact that average coherence of random mixed states is bounded uniformly, however, the average coherence of random pure states increases with the increasing dimension. As an important application, we establish the typicality of relative entropy of entanglement and distillable entanglement for a specific class of random bipartite mixed states. In particular, most of the random states in this specific class have relative entropy of entanglement and distillable entanglement equal to some fixed number (to within an arbitrary small error), thereby hugely reducing the complexity of computation of these entanglement measures for this specific class of mixed states.

  14. United States Average Annual Precipitation, 1995-1999 - Direct Download

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This map layer shows polygons of average annual precipitation in the contiguous United States, for the climatological period 1995-1999. Parameter-elevation...

  15. United States Average Annual Precipitation, 2005-2009 - Direct Download

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This map layer shows polygons of average annual precipitation in the contiguous United States, for the climatological period 2005-2009. Parameter-elevation...

  16. United States Average Annual Precipitation, 1990-1994 - Direct Download

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This map layer shows polygons of average annual precipitation in the contiguous United States, for the climatological period 1990-1994. Parameter-elevation...

  17. United States Average Annual Precipitation, 2000-2004 - Direct Download

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This map layer shows polygons of average annual precipitation in the contiguous United States, for the climatological period 2000-2004. Parameter-elevation...

  18. United States Average Annual Precipitation, 1990-2009 - Direct Download

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This map layer shows polygons of average annual precipitation in the contiguous United States, for the climatological period 1990-2009. Parameter-elevation...

  19. United States Average Annual Precipitation, 1961-1990 - Direct Download

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This map layer shows polygons of average annual precipitation in the contiguous United States, for the climatological period 1961-1990. Parameter-elevation...

  20. Measurements of aerosol charging states in Helsinki, Finland

    Directory of Open Access Journals (Sweden)

    S. Gagné

    2011-05-01

    Full Text Available The charging state of aerosol populations was measured with an Ion-DMPS in Helsinki, Finland between December 2008 and February 2010. Based on the charging states, we calculated the ion-induced nucleation fraction to be around 0.8 % ± 0.9 %. We review the role of ion-induced nucleation and propose different explanations for a low ion-induced nucleation participation in urban areas. We present a new method to retrieve the average charging state for an event, and a given size. We also use a new theoretical framework that allows for different concentrations of small cluster ions for different polarities (polarity asymmetry. We extrapolate the ion-induced fraction using polarity symmetry and asymmetry. Finally, a method to calculate the growth rates from the variation of the charging state as a function of the particle diameter using polarity symmetry and asymmetry is presented and used on a selection of new particle formation events.

  1. Average Distribution of Ionic Charges and Ionizability for the Au Plasma System

    Institute of Scientific and Technical Information of China (English)

    杨天丽; 蒋刚; 朱正和

    2002-01-01

    Using relativistic multi-configuration Dirac-Fock theory, we calculate the transition data of 3dj - n fj, (n =5, 6, 7) for the M-shell from an Ni-like Au ion to an As-like Auion using the GRASP programme with the core-polarization, quantum electrodynamical effect and Breit correction. Based on the present calculation results andthe experiment of the Xingguang-Ⅱ laser facilities, the average distribution of ionic charge and the ionizabilityhave been derived. The average ionization degree of Au plasma Z* is 49.06 ± 0.5, which is comparable with theresult of the Lawrence Livermore National Laboratory.

  2. Quantum state discrimination using the minimum average number of copies

    CERN Document Server

    Slussarenko, Sergei; Li, Jun-Gang; Campbell, Nicholas; Wiseman, Howard M; Pryde, Geoff J

    2016-01-01

    In the task of discriminating between nonorthogonal quantum states from multiple copies, the key parameters are the error probability and the resources (number of copies) used. Previous studies have considered the task of minimizing the average error probability for fixed resources. Here we consider minimizing the average resources for a fixed admissible error probability. We derive a detection scheme optimized for the latter task, and experimentally test it, along with schemes previously considered for the former task. We show that, for our new task, our new scheme outperforms all previously considered schemes.

  3. Averaging in Parametrically Excited Systems – A State Space Formulation

    Directory of Open Access Journals (Sweden)

    Pfau Bastian

    2016-01-01

    Full Text Available Parametric excitation can lead to instabilities as well as to an improved stability behavior, depending on whether a parametric resonance or anti-resonance is induced. In order to calculate the stability domains and boundaries, the method of averaging is applied. The problem is reformulated in state space representation, which allows a general handling of the averaging method especially for systems with non-symmetric system matrices. It is highlighted that this approach can enhance the first order approximation significantly. Two example systems are investigated: a generic mechanical system and a flexible rotor in journal bearings with adjustable geometry.

  4. Equation of State, Occupation Probabilities and Conductivities in the Average Atom Purgatorio Code

    Energy Technology Data Exchange (ETDEWEB)

    Sterne, P

    2006-12-22

    We report on recent developments with the Purgatorio code, a new implementation of Liberman's Inferno model. This fully relativistic average atom code uses phase shift tracking and an efficient refinement scheme to provide an accurate description of continuum states. The resulting equations of state accurately represent the atomic shell-related features which are absent in Thomas-Fermi-based approaches. We discuss various representations of the exchange potential and some of the ambiguities in the choice of the effective charge Z* in average atom models, both of which affect predictions of electrical conductivities and radiative properties.

  5. Low-charge-state RFQ injector

    Energy Technology Data Exchange (ETDEWEB)

    Shepard, K.W.; Kim, J.W.

    1995-08-01

    Preliminary design work was done for a short, normally-conducting RFQ entrance section for a low-charge-state linac. Early results indicate that a low- frequency (12 MHz) RFQ, operated on a high-voltage platform, and injected with a pre-bunched beam, can provide ATLAS quality beams of ions of charge-to-mass ratio less than 1/132.

  6. Average Temperatures in the Southwestern United States, 2000-2015 Versus Long-Term Average

    Data.gov (United States)

    U.S. Environmental Protection Agency — This indicator shows how the average air temperature from 2000 to 2015 has differed from the long-term average (1895–2015). To provide more detailed information,...

  7. A note on computing average state occupation times

    Directory of Open Access Journals (Sweden)

    Jan Beyersmann

    2014-05-01

    Full Text Available Objective: This review discusses how biometricians would probably compute or estimate expected waiting times, if they had the data. Methods: Our framework is a time-inhomogeneous Markov multistate model, where all transition hazards are allowed to be time-varying. We assume that the cumulative transition hazards are given. That is, they are either known, as in a simulation, determined by expert guesses, or obtained via some method of statistical estimation. Our basic tool is product integration, which transforms the transition hazards into the matrix of transition probabilities. Product integration enjoys a rich mathematical theory, which has successfully been used to study probabilistic and statistical aspects of multistate models. Our emphasis will be on practical implementation of product integration, which allows us to numerically approximate the transition probabilities. Average state occupation times and other quantities of interest may then be derived from the transition probabilities.

  8. Potential of high-average-power solid state lasers

    Energy Technology Data Exchange (ETDEWEB)

    Emmett, J.L.; Krupke, W.F.; Sooy, W.R.

    1984-09-25

    We discuss the possibility of extending solid state laser technology to high average power and of improving the efficiency of such lasers sufficiently to make them reasonable candidates for a number of demanding applications. A variety of new design concepts, materials, and techniques have emerged over the past decade that, collectively, suggest that the traditional technical limitations on power (a few hundred watts or less) and efficiency (less than 1%) can be removed. The core idea is configuring the laser medium in relatively thin, large-area plates, rather than using the traditional low-aspect-ratio rods or blocks. This presents a large surface area for cooling, and assures that deposited heat is relatively close to a cooled surface. It also minimizes the laser volume distorted by edge effects. The feasibility of such configurations is supported by recent developments in materials, fabrication processes, and optical pumps. Two types of lasers can, in principle, utilize this sheet-like gain configuration in such a way that phase and gain profiles are uniformly sampled and, to first order, yield high-quality (undistorted) beams. The zig-zag laser does this with a single plate, and should be capable of power levels up to several kilowatts. The disk laser is designed around a large number of plates, and should be capable of scaling to arbitrarily high power levels.

  9. Numerical calculation of impurity charge state distributions

    Energy Technology Data Exchange (ETDEWEB)

    Crume, E. C.; Arnurius, D. E.

    1977-09-01

    The numerical calculation of impurity charge state distributions using the computer program IMPDYN is discussed. The time-dependent corona atomic physics model used in the calculations is reviewed, and general and specific treatments of electron impact ionization and recombination are referenced. The complete program and two examples relating to tokamak plasmas are given on a microfiche so that a user may verify that his version of the program is working properly. In the discussion of the examples, the corona steady-state approximation is shown to have significant defects when the plasma environment, particularly the electron temperature, is changing rapidly.

  10. Average Density of States for Hermitian Wigner Matrices

    CERN Document Server

    Maltsev, Anna

    2010-01-01

    We consider ensembles of $N \\times N$ Hermitian Wigner matrices, whose entries are (up to the symmetry constraints) independent and identically distributed random variables. Assuming sufficient regularity for the probability density function of the entries, we show that the expectation of the density of states on {\\it arbitrarily} small intervals converges to the semicircle law, as $N$ tends to infinity.

  11. 78 FR 35054 - All Items Consumer Price Index for All Urban Consumers United States City Average

    Science.gov (United States)

    2013-06-11

    ... of the Secretary All Items Consumer Price Index for All Urban Consumers United States City Average... Commission and publishes this notice in the Federal Register that the United States City Average All Items... average of 147.7 to its 2012 annual average of 687.761 and that it increased 29.7 percent from its...

  12. 77 FR 23282 - All Items Consumer Price Index for All Urban Consumers; United States City Average

    Science.gov (United States)

    2012-04-18

    ... of the Secretary All Items Consumer Price Index for All Urban Consumers; United States City Average... Election Commission and publishes this notice in the Federal Register that the United States City Average... 1974 annual average of 147.7 to its 2011 annual average of 673.818 and that it increased 27.0...

  13. 75 FR 22164 - All Items Consumer Price Index for All Urban Consumers United States City Average

    Science.gov (United States)

    2010-04-27

    ... of the Secretary All Items Consumer Price Index for All Urban Consumers United States City Average... Commission and publishes this notice in the Federal Register that the United States City Average All Items... average of 147.7 to its 2009 annual average of 642.658 and that it increased 21.2 percent from its...

  14. Measurement of atomic electric fields and charge densities from average momentum transfers using scanning transmission electron microscopy.

    Science.gov (United States)

    Müller-Caspary, Knut; Krause, Florian F; Grieb, Tim; Löffler, Stefan; Schowalter, Marco; Béché, Armand; Galioit, Vincent; Marquardt, Dennis; Zweck, Josef; Schattschneider, Peter; Verbeeck, Johan; Rosenauer, Andreas

    2016-05-12

    This study sheds light on the prerequisites, possibilities, limitations and interpretation of high-resolution differential phase contrast (DPC) imaging in scanning transmission electron microscopy (STEM). We draw particular attention to the well-established DPC technique based on segmented annular detectors and its relation to recent developments based on pixelated detectors. These employ the expectation value of the momentum transfer as a reliable measure of the angular deflection of the STEM beam induced by an electric field in the specimen. The influence of scattering and propagation of electrons within the specimen is initially discussed separately and then treated in terms of a two-state channeling theory. A detailed simulation study of GaN is presented as a function of specimen thickness and bonding. It is found that bonding effects are rather detectable implicitly, e.g., by characteristics of the momentum flux in areas between the atoms than by directly mapping electric fields and charge densities. For strontium titanate, experimental charge densities are compared with simulations and discussed with respect to experimental artifacts such as scan noise. Finally, we consider practical issues such as figures of merit for spatial and momentum resolution, minimum electron dose, and the mapping of larger-scale, built-in electric fields by virtue of data averaged over a crystal unit cell. We find that the latter is possible for crystals with an inversion center. Concerning the optimal detector design, this study indicates that a sampling of 5mrad per pixel is sufficient in typical applications, corresponding to approximately 10×10 available pixels.

  15. The Dependence of Average Multiplicity of Produced Charged Particles on Interacting Projectile Nucleons in Nuclear Collisions

    Directory of Open Access Journals (Sweden)

    Mohammad Ayaz Ahmad

    2016-11-01

    Full Text Available In the present articles an attempt has been made for the determination of multiplicity distributions of the secondary charged particles produced in the central region of relativistic heavy ion collisions. Due to sophisticated measurement in the nuclear emulsion experiment only some particles having special criteria could be selected as central collision events with consenting accuracy.

  16. 77 FR 60005 - Schedule of Charges Outside the United States

    Science.gov (United States)

    2012-10-01

    ... From the Federal Register Online via the Government Publishing Office DEPARTMENT OF TRANSPORTATION Federal Aviation Administration Schedule of Charges Outside the United States AGENCY: Federal Aviation... of charges for services of FAA Flight Standards Aviation Safety Inspectors outside the United...

  17. Metastable states of plasma particles close to a charged surface

    Energy Technology Data Exchange (ETDEWEB)

    Shavlov, A. V., E-mail: shavlov@ikz.ru [The Institute of the Earth Cryosphere, RAS Siberian branch, 625000, P.O. 1230, Tyumen (Russian Federation); Tyumen State Oil and Gas University, 38, Volodarskogo St., 625000, Tyumen (Russian Federation); Dzhumandzhi, V. A. [The Institute of the Earth Cryosphere, RAS Siberian branch, 625000, P.O. 1230, Tyumen (Russian Federation)

    2015-09-15

    The free energy of the plasma particles and the charged surface that form an electroneutral system is calculated on the basis of the Poisson-Boltzmann equation. It is shown that, owing to correlation of light plasma particles near the charged surface and close to heavy particles of high charge, there can be metastable states in plasma. The corresponding phase charts of metastable states of the separate components of plasma, and plasma as a whole, are constructed. These charts depend on temperature, the charge magnitude, the size of the particles, and the share of the charge of the light carriers out of the total charge of the plasma particles.

  18. Influence of argon and oxygen on charge-state-resolved ion energydistributions of filtered aluminum arcs

    Energy Technology Data Exchange (ETDEWEB)

    Rosen, Johanna; Anders, Andre; Mraz, Stanislav; Atiser, Adil; Schneider, Jochen M.

    2006-03-23

    The charge-state-resolved ion energy distributions (IEDs) in filtered aluminum vacuum arc plasmas were measured and analyzed at different oxygen and argon pressures in the range 0.5 8.0 mTorr. A significant reduction of the ion energy was detected as the pressure was increased, most pronounced in an argon environment and for the higher charge states. The corresponding average charge state decreased from 1.87 to 1.0 with increasing pressure. The IEDs of all metal ions in oxygen were fitted with shifted Maxwellian distributions. The results show that it is possible to obtain a plasma composition with a narrow charge-state distribution as well as a narrow IED. These data may enable tailoring thin-film properties through selecting growth conditions that are characterized by predefined charge state and energy distributions.

  19. 77 FR 23283 - All Items Consumer Price Index for All Urban Consumers; United States City Average

    Science.gov (United States)

    2012-04-18

    ... of the Secretary All Items Consumer Price Index for All Urban Consumers; United States City Average... this notice in the Federal Register that the United States City Average All Items Consumer Price Index for All Urban Consumers (1967 = 100) increased 116.6 percent from its 1984 annual average of 311.1...

  20. 76 FR 31991 - All Items Consumer Price Index for All Urban Consumers; United States City Average

    Science.gov (United States)

    2011-06-02

    ... of the Secretary All Items Consumer Price Index for All Urban Consumers; United States City Average... this notice in the Federal Register that the United States City Average All Items Consumer Price Index for All Urban Consumers (1967 = 100) increased 110.0 percent from its 1984 annual average of 311.1...

  1. 78 FR 35054 - All Items Consumer Price Index for All Urban Consumers; United States City Average

    Science.gov (United States)

    2013-06-11

    ... of the Secretary All Items Consumer Price Index for All Urban Consumers; United States City Average... in the Federal Register that the United States City Average All Items Consumer Price Index for All Urban Consumers (1967=100) increased 121.1 percent from its 1984 annual average of 311.1 to its...

  2. 75 FR 22164 - All Items Consumer Price Index for All Urban Consumers; United States City Average

    Science.gov (United States)

    2010-04-27

    ... of the Secretary All Items Consumer Price Index for All Urban Consumers; United States City Average... this notice in the Federal Register that the United States City Average All Items Consumer Price Index for All Urban Consumers (1967=100) increased 106.6 percent from its 1984 annual average of 311.1...

  3. Consecutive reversible ionization-recombination reactions and ionic charge state distribution of Au plasma

    Institute of Scientific and Technical Information of China (English)

    ZHU Zhiyan; ZHU Zhenghe; TANG Changhuan; TANG Yongjian; GAO Tao

    2005-01-01

    The present work proposes kinetics of ionization-recombination to study the charge state distribution of Au plasma. The first step is to calculate the average lifetime, energy level structure, degeneracy and partition function of Au48+―Au52+ by relativistic quantum mechanics, and next to compute the equilibrium constant and the second-order recombination rate constant by statistical thermodynamics. Based on these data, the differential equations of consecutive reversible ionization-recombination reactions are solved from which the charge state distribution and its average charge are derived. Finally, the influence of electron temperature and density on average charge is given in this paper. It is called the first-principle theory, for no experimental data are needed.

  4. Determination of the Ionic Charge States of SEPs Using the University of Chicago IMP-8 Instrument

    Science.gov (United States)

    Dietrich, W.

    We use a new method to calculate the mean ionization charge state of solar energetic particles (SEPs) observed with the University of Chicago Cosmic Ray Nuclear Composition experiment on the IMP-8 satellite. The method, using the time to maximum flux, is demonstrated for several gradual SEP events, including the events on 29 September 1989, 19 October 1989, 24 October 1989, and 6 November 1997. Mean ionic charge states are deduced for heavy ions with energies in the range ~10- 500 MeV/nucleon. The ionic charge determination is made only during the onset of the SEP events. These mean charge states agree well with previous measurements for SEP events both at low energy (~0.5-4 MeV/nucleon reported by ISEE-3) and at higher energies (~200-500 MeV/nucleon reported by LDEF). The mean ionic charge states are then used to determine an average temperature and source region for these particles.

  5. Bounce-Averaged Hamiltonian for Charged Particles in an Axisymmetric but Nondipolar Model Magnetosphere

    Science.gov (United States)

    Schulz, Michael; Chen, Margaret W.

    1995-01-01

    In order to facilitate bounce-averaged guiding center simulations of geomagnetically trapped particles, we express the kinetic energy of a particle with magnetic coordinates (L,phi) as an analytic function of the first two adiabatic invariants (M, J) and the L value of the field line. The magnetic field model is axisymmetric, consisting of a dipolar B field plus a uniform southward magnetic field parallel to the dipole moment mu(sub E). This model magnetosphere is surrounded by a circular equatorial neutral line whose radius b is an adjustable parameter. The L value of a field line is (by definition) inversely proportional to the flux enclosed by the corresponding magnetic shell of equatorial radius r(sub 0), and the L value at the neutral line (r(sub 0) = b) is denoted L*. The azimuthal coordinate phi measures magnetic local time. The best functional representation found for the normalized difference (L(exp 3)a(exp 3)/mu(sub E))(B(sub m) - B(sub 0)) between mirror-point field B(sub m) and equatorial field B(sub 0) along any field line is a 5-term expansion in powers (2/3 through 6/3) of the quantity X equivalent to (La/mu(sub E))(exp 1/2)K, where K equivalent to (J(exp 2)/8m(sub 0)M)(exp 1/2) is an adiabatically conserved quantity independent of particle energy, m(sub 0) is the rest mass of the particle, and a is the radius of the Earth. This functional form is motivated by results for limiting cases in which particles mirror very near and very far from the magnetic equator. Expansion coefficients corresponding to various powers of X are obtained from least squares fits to numerically computed results for X as a function of L and B(sub m). These are accurately expressible as fourth-order polynomials in (r(sub 0)/b)(exp 3), hence indirectly as functions of L/L* = 3La/2b. This representation, which leads (except for a manageably small region of parameter space) to better than 1% accuracy in the specification of B(sub m) as a function of K and L, allows bounce-averaged

  6. 78 FR 61446 - Schedule of Charges Outside the United States

    Science.gov (United States)

    2013-10-03

    ... From the Federal Register Online via the Government Publishing Office DEPARTMENT OF TRANSPORTATION Federal Aviation Administration Schedule of Charges Outside the United States AGENCY: Federal Aviation... for services of FAA Flight Standards Aviation Safety Inspectors outside the United States....

  7. Charge-displacement analysis for excited states

    Energy Technology Data Exchange (ETDEWEB)

    Ronca, Enrico, E-mail: enrico@thch.unipg.it; Tarantelli, Francesco, E-mail: francesco.tarantelli@unipg.it [Istituto CNR di Scienze e Tecnologie Molecolari, via Elce di Sotto 8, I-06123 Perugia (Italy); Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, via Elce di Sotto 8, I-06123 Perugia (Italy); Pastore, Mariachiara, E-mail: chiara@thch.unipg.it; Belpassi, Leonardo; De Angelis, Filippo [Istituto CNR di Scienze e Tecnologie Molecolari, via Elce di Sotto 8, I-06123 Perugia (Italy); Angeli, Celestino; Cimiraglia, Renzo [Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Ferrara, via Borsari 46, I-44100 Ferrara (Italy)

    2014-02-07

    We extend the Charge-Displacement (CD) analysis, already successfully employed to describe the nature of intermolecular interactions [L. Belpassi et al., J. Am. Chem. Soc. 132, 13046 (2010)] and various types of controversial chemical bonds [L. Belpassi et al., J. Am. Chem. Soc. 130, 1048 (2008); N. Salvi et al., Chem. Eur. J. 16, 7231 (2010)], to study the charge fluxes accompanying electron excitations, and in particular the all-important charge-transfer (CT) phenomena. We demonstrate the usefulness of the new approach through applications to exemplary excitations in a series of molecules, encompassing various typical situations from valence, to Rydberg, to CT excitations. The CD functions defined along various spatial directions provide a detailed and insightful quantitative picture of the electron displacements taking place.

  8. Charge sensitive amplifies. The state of arts

    Energy Technology Data Exchange (ETDEWEB)

    Mori, Kunishiro [Clear Pulse Co., Tokyo (Japan)

    1996-07-01

    In the radiation detectors, signals are essentially brought with charges produced by radiation, then it is naturally the best way to use a charge sensitive amplifier (CSA) system to extract those signals. The CSA is thought to be the best amplifier suitable to almost all the radiation detectors, if neglecting economical points of view. The CSA has been only applied to special fields like radiation detection because the concept of `charges` is not so universal against the concepts of `voltage` and `current`. The CSA, however, is low in noise and a high speed amplifier and may be applicable not only to radiation measurement but also piezoelectric devices and also bolometers. In this article, noise in the CSA, basic circuit on the CSA, concepts of `equivalent noise charge` (ENC), a method for the ENC, and importance of the `open-loop gain` in the CSA to achieve better performance of it and how to realize in a practical CSA were described. And, characteristics on a counting rate of the CSA, various circuit used in the CSA, and CSAs which are commercially available at present and special purpose CSAs were also introduced. (G.K.)

  9. The axial charges of the hidden-charm pentaquark states

    CERN Document Server

    Wang, Guang-Juan; Zhu, Shi-Lin

    2016-01-01

    With the chiral quark model, we have calculated the axial charges of the pentaquark states with $(I,I_3)=(\\frac{1}{2},\\frac{1}{2})$ and $J^{P}=\\frac{1}{2}^{\\pm},\\frac{3}{2}^{\\pm},\\frac{5}{2}^{\\pm}$. The $P_c$ states with the same $J^P$ quantum numbers but different color-spin-flavor configurations have very different axial charges, which encode important information on their underlying structures. For some of the $J^{P}=\\frac{3}{2}^{\\pm}$ or $\\frac{5}{2}^{\\pm}$ pentaquark states, their axial charges are much smaller than that of the proton.

  10. The ECRIS charge state breeding project at TRIUMF.

    Science.gov (United States)

    Ames, F; Baartman, R; Bricault, P; Jayamanna, K; McDonald, M; Schmor, P; Spanjers, T; Yuan, D H L; Lamy, T

    2008-02-01

    The performance of charge state breeding with an electron cyclotron resonance (ECR) ion source intended to increase the charge state of online produced radioactive ions at the ISAC facility at TRIUMF has been investigated. A 14 GHz PHOENIX from PANTECHNIK has been setup on a test bench. Singly charged ions have been produced with several ion sources typical for the on-line operation and were injected into the charge breeder. The main purpose of the tests has been the optimization of the efficiency for the charge breeding into the desired charge state. Maximum efficiencies reached so far with the standard one step deceleration of the ions in front of the plasma are up to about 6% for noble gas ions and about 3.5% for alkalines. As ion optics simulations show, the acceptance can be increased by a two step deceleration. In order to meet the velocity acceptance of the accelerator at different A/q values a similar two gap acceleration system for the highly charged ions has been installed to allow the source to run at different voltages. For the further beam transport to the accelerator, cross sections for charge exchange of the highly charged ions with the residual gas have been determined.

  11. Using National Data to Estimate Average Cost Effectiveness of EFNEP Outcomes by State/Territory

    Science.gov (United States)

    Baral, Ranju; Davis, George C.; Blake, Stephanie; You, Wen; Serrano, Elena

    2013-01-01

    This report demonstrates how existing national data can be used to first calculate upper limits on the average cost per participant and per outcome per state/territory for the Expanded Food and Nutrition Education Program (EFNEP). These upper limits can then be used by state EFNEP administrators to obtain more precise estimates for their states,…

  12. Labor Statistics for the United States - Annual Averages for 2005 to 2009 - Direct Download

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This data set portrays labor statistics annual averages for the years 2005 to 2009, shown by county, for the United States and Puerto Rico. The data set was created...

  13. Average Rate of Heat-Related Hospitalizations in 23 States, 2001-2010

    Data.gov (United States)

    U.S. Environmental Protection Agency — This map shows the 2001–2010 average rate of hospitalizations classified as “heat-related” by medical professionals in 23 states that participate in CDC’s...

  14. Explosion and final state of the charged black hole bomb

    CERN Document Server

    Sanchis-Gual, Nicolas; Montero, Pedro J; Font, José A; Herdeiro, Carlos

    2015-01-01

    A Reissner-Nordstr\\"om black hole (BH) is superradiantly unstable against spherical perturbations of a charged scalar field, enclosed in a cavity, with frequency lower than a critical value. We use numerical relativity techniques to follow the development of this unstable system -- dubbed charged BH bomb -- into the non-linear regime, solving the full Einstein--Maxwell--Klein-Gordon equations, in spherical symmetry. We show that: $i)$ the process stops before all the charge is extracted from the BH; $ii)$ the system settles down into a hairy BH: a charged horizon in equilibrium with a scalar field condensate, whose phase is oscillating at the (final) critical frequency. For low scalar field charge, $q$, the final state is approached smoothly and monotonically. For large $q$, however, the energy extraction overshoots and an explosive phenomenon, akin to a $bosenova$, pushes some energy back into the BH. The charge extraction, by contrast, does not reverse.

  15. Constraining the density dependence of the symmetry energy using the multiplicity and average pT ratios of charged pions

    Science.gov (United States)

    Cozma, M. D.

    2017-01-01

    The charged pion multiplicity ratio in intermediate-energy heavy-ion collisions, a probe of the density dependence of symmetry energy above the saturation point, has been proven in a previous study to be extremely sensitive to the strength of the isovector Δ (1232 ) potential in nuclear matter. As there is no knowledge, either from theory or experiment, about the magnitude of this quantity, the extraction of constraints on the slope of the symmetry energy at saturation by using exclusively the mentioned observable is hindered at present. It is shown that, by including the ratio of average pT of charged pions / in the list of fitted observables, the noted problem can be circumvented. A realistic description of this observable requires accounting for the interaction of pions with the dense nuclear matter environment by the incorporation of the so-called S -wave and P -wave pion optical potentials. This is performed within the framework of a quantum molecular dynamics transport model that enforces the conservation of the total energy of the system. It is shown that constraints on the slope of the symmetry energy at saturation density and the strength of the Δ (1232) potential can be simultaneously extracted. A symmetry energy with a value of the slope parameter L >50 MeV is favored, at 1 σ confidence level, from a comparison with published FOPI experimental data. A precise constraint will require experimental data more accurate than presently available, particularly for the charged pion multiplicity ratio, and better knowledge of the density and momentum dependence of the pion potential for the whole range of these two variables probed in intermediate-energy heavy-ion collisions.

  16. Constraining the density dependence of the symmetry energy using the multiplicity and average $p_T$ ratios of charged pions

    CERN Document Server

    Cozma, M D

    2016-01-01

    The charged pion multiplicity ratio in intermediate energy heavy-ion collisions, a probe of the density dependence of symmetry energy above the saturation point, has been proven in a previous study to be extremely sensitive to the strength of the isovector $\\Delta$(1232) potential in nuclear matter. As there is no current knowledge, either from theory or experiment, about the magnitude of this quantity, the extraction of constraints for the slope of the symmetry energy at saturation by using exclusively the mentioned observable is hindered at present. It is shown that, by including the ratio of average $p_T$ of charged pions $\\langle p_T^{(\\pi^+)}\\rangle/\\langle p_T^{(\\pi^-)}\\rangle$ in the list of fitted observables, the noted problem can be circumvented. A realistic description of this observable requires the accounting for the interaction of pions with the dense nuclear matter environment by the incorporation of the so called S-wave and P-wave pion optical potentials. This is performed within the framework...

  17. [Probabilistic calculations of biomolecule charge states that generate mass spectra of multiply charged ions].

    Science.gov (United States)

    Raznikova, M O; Raznikov, V V

    2015-01-01

    In this work, information relating to charge states of biomolecule ions in solution obtained using the electrospray ionization mass spectrometry of different biopolymers is analyzed. The data analyses have mainly been carried out by solving an inverse problem of calculating the probabilities of retention of protons and other charge carriers by ionogenic groups of biomolecules with known primary structures. The approach is a new one and has no known to us analogues. A program titled "Decomposition" was developed and used to analyze the charge distribution of ions of native and denatured cytochrome c mass spectra. The possibility of splitting of the charge-state distribution of albumin into normal components, which likely corresponds to various conformational states of the biomolecule, has been demonstrated. The applicability criterion for using previously described method of decomposition of multidimensional charge-state distributions with two charge carriers, e.g., a proton and a sodium ion, to characterize the spatial structure of biopolymers in solution has been formulated. In contrast to known mass-spectrometric approaches, this method does not require the use of enzymatic hydrolysis or collision-induced dissociation of the biopolymers.

  18. Interfacial Charge Transfer States in Condensed Phase Systems

    Science.gov (United States)

    Vandewal, Koen

    2016-05-01

    Intermolecular charge transfer (CT) states at the interface between electron-donating (D) and electron-accepting (A) materials in organic thin films are characterized by absorption and emission bands within the optical gap of the interfacing materials. CT states efficiently generate charge carriers for some D-A combinations, and others show high fluorescence quantum efficiencies. These properties are exploited in organic solar cells, photodetectors, and light-emitting diodes. This review summarizes experimental and theoretical work on the electronic structure and interfacial energy landscape at condensed matter D-A interfaces. Recent findings on photogeneration and recombination of free charge carriers via CT states are discussed, and relations between CT state properties and optoelectronic device parameters are clarified.

  19. An EBIS for charge state breeding in the SPES project

    Indian Academy of Sciences (India)

    V Variale; G Brautti; T Clauser; A Rainò; V Stagno; G Lamanna; V Valentino; A Boggia; Y Boimelshtein; P Logatchov; B Skarbo; M Tiunov

    2002-11-01

    The ‘charge state breeder’, BRIC (breeding ion charge) is in construction at the INFN section of Bari (Italy). It is based on EBIS scheme and it is designed to accept radioactive ion beam (RIB) with charge state +1 in a slow injection mode. This experiment can be considered as a first step towards the design and construction of a charge breeder for the SPES project. The new feature of BRIC, with respect to the classical EBIS, is given by the insertion, in the ion chamber, of a rf-quadrupole aiming at filtering the unwanted masses and then making a more efficient containment of the wanted ions. In this paper, the breeder design, the simulation results of the electron and ion beam propagation and the construction problems of the device will be reported.

  20. Interlamellar spacing and average interface undercooling of irregular eutectic in steady-state growth

    Institute of Scientific and Technical Information of China (English)

    MENG Guang-hui; LIN Xin; HUANG Wei-dong

    2008-01-01

    The average lamellar spacing and interface undercooling in steady-state irregular eutectic growth were estimated based on the Jackson and Hunt's analysis by relaxing the isothermal interface assumption. At low growth rates, the average lamellar spacing and average interface undercooling are dependent only on the characteristic thermo-physical properties of a binary eutectic system. For a general Al-Si eutectic, it is found that the eutectic characteristic length based on the present non-isothermal analysis is consistent with that obtained from isothermal analysis; however, the average interface undercooling is remarkably different between them, and such discrepancy in average interface undercooling increases with increasing of growth rate. The measured interface undercooling obtained from literature is reasonably interpreted by present non-isothermal analysis.

  1. Improved performance of high average power semiconductor arrays for applications in diode pumped solid state lasers

    Energy Technology Data Exchange (ETDEWEB)

    Beach, R.; Emanuel, M.; Benett, W.; Freitas, B.; Ciarlo, D.; Carlson, N.; Sutton, S.; Skidmore, J.; Solarz, R.

    1994-01-01

    The average power performance capability of semiconductor diode laser arrays has improved dramatically over the past several years. These performance improvements, combined with cost reductions pursued by LLNL and others in the fabrication and packaging of diode lasers, have continued to reduce the price per average watt of laser diode radiation. Presently, we are at the point where the manufacturers of commercial high average power solid state laser systems used in material processing applications can now seriously consider the replacement of their flashlamp pumps with laser diode pump sources. Additionally, a low cost technique developed and demonstrated at LLNL for optically conditioning the output radiation of diode laser arrays has enabled a new and scalable average power diode-end-pumping architecture that can be simply implemented in diode pumped solid state laser systems (DPSSL`s). This development allows the high average power DPSSL designer to look beyond the Nd ion for the first time. Along with high average power DPSSL`s which are appropriate for material processing applications, low and intermediate average power DPSSL`s are now realizable at low enough costs to be attractive for use in many medical, electronic, and lithographic applications.

  2. Efficient charge generation by relaxed charge-transfer states at organic interfaces

    Science.gov (United States)

    Vandewal, Koen; Albrecht, Steve; Hoke, Eric T.; Graham, Kenneth R.; Widmer, Johannes; Douglas, Jessica D.; Schubert, Marcel; Mateker, William R.; Bloking, Jason T.; Burkhard, George F.; Sellinger, Alan; Fréchet, Jean M. J.; Amassian, Aram; Riede, Moritz K.; McGehee, Michael D.; Neher, Dieter; Salleo, Alberto

    2014-01-01

    Interfaces between organic electron-donating (D) and electron-accepting (A) materials have the ability to generate charge carriers on illumination. Efficient organic solar cells require a high yield for this process, combined with a minimum of energy losses. Here, we investigate the role of the lowest energy emissive interfacial charge-transfer state (CT1) in the charge generation process. We measure the quantum yield and the electric field dependence of charge generation on excitation of the charge-transfer (CT) state manifold via weakly allowed, low-energy optical transitions. For a wide range of photovoltaic devices based on polymer:fullerene, small-molecule:C60 and polymer:polymer blends, our study reveals that the internal quantum efficiency (IQE) is essentially independent of whether or not D, A or CT states with an energy higher than that of CT1 are excited. The best materials systems show an IQE higher than 90% without the need for excess electronic or vibrational energy.

  3. Efficient charge generation by relaxed charge-transfer states at organic interfaces

    KAUST Repository

    Vandewal, Koen

    2013-11-17

    Interfaces between organic electron-donating (D) and electron-accepting (A) materials have the ability to generate charge carriers on illumination. Efficient organic solar cells require a high yield for this process, combined with a minimum of energy losses. Here, we investigate the role of the lowest energy emissive interfacial charge-transfer state (CT1) in the charge generation process. We measure the quantum yield and the electric field dependence of charge generation on excitation of the charge-transfer (CT) state manifold via weakly allowed, low-energy optical transitions. For a wide range of photovoltaic devices based on polymer:fullerene, small-molecule:C60 and polymer:polymer blends, our study reveals that the internal quantum efficiency (IQE) is essentially independent of whether or not D, A or CT states with an energy higher than that of CT1 are excited. The best materials systems show an IQE higher than 90% without the need for excess electronic or vibrational energy. © 2014 Macmillan Publishers Limited.

  4. Charge and fluence lifetime measurements of a dc high voltage GaAs photogun at high average current

    Energy Technology Data Exchange (ETDEWEB)

    J. Grames, R. Suleiman, P.A. Adderley, J. Clark, J. Hansknecht, D. Machie, M. Poelker, M.L. Stutzman

    2011-04-01

    GaAs-based dc high voltage photoguns used at accelerators with extensive user programs must exhibit long photocathode operating lifetime. Achieving this goal represents a significant challenge for proposed high average current facilities that must operate at tens of milliamperes or more. This paper describes techniques to maintain good vacuum while delivering beam, and techniques that minimize the ill effects of ion bombardment, the dominant mechanism that reduces photocathode yield of a GaAs-based dc high voltage photogun. Experimental results presented here demonstrate enhanced lifetime at high beam currents by: (a) operating with the drive laser beam positioned away from the electrostatic center of the photocathode, (b) limiting the photocathode active area to eliminate photoemission from regions of the photocathode that do not support efficient beam delivery, (c) using a large drive laser beam to distribute ion damage over a larger area, and (d) by applying a relatively low bias voltage to the anode to repel ions created within the downstream beam line. A combination of these techniques provided the best total charge extracted lifetimes in excess of 1000 C at dc beam currents up to 9.5 mA, using green light illumination of bulk GaAs inside a 100 kV photogun.

  5. Average charged-particle multiplicities in. pi. /sup -/p inclusive reactions at 147 GeV/c

    Energy Technology Data Exchange (ETDEWEB)

    Brick, D.; Fong, D.; Heller, M.; Shapiro, A.M.; Widgoff, M.; Bruyant, F.; Bogert, D.; Johnson, M.; Burnstein, R.; Fu, C.; Petersen, D.; Robertson, M.; Rubin, H.; Sard, R.D.; Snyder, A.; Tortora, J.; Alyea, E.D. Jr.; Chien, C.; Lucas, P.; Pevsner, A.; Zdanis, R.; Barreiro, F.; Benary, O.; Brau, J.E.; DeTar, C.E.; Grunhaus, J.; Hafen, E.S.; Hulsizer, R.I.; Karshon, U.; Kistiakowsky, V.; Levy, A.; Napier, A.; Pless, I.A.; Silverman, J.P.; Stoughton, T.; Trepagnier, P.C.; Wolfson, J.; Yamamoto, R.K.; Cohn, H.O.; Jacques, P.F.; Ou, T.C.; Plano, R.J.; Watts, T.L.; Brucker, E.B.; Koller, E.; Stamer, P.; Taylor, S.; Bugg, W.M.; Condo, G.; Handler, T.; Hart, E.; Kraybill, H.; Ljung, D.; Ludlam, T.; Taft, H.D.

    1979-02-01

    The experimentally determined average charged-particle multiplicities, , of the systems, X, produced in the following reactions for 147 GeV/c incident pion momentum are presented as functions of the square of the invariant mass of X, M/sub x//sup 2/, and of *t*: ..pi../sup -/p ..-->.. ..pi../sup -//sub fast/X, ..pi../sup -/p ..-->.. pX, ..pi../sup -/p ..-->.. ..delta../sup + +/X, ..pi../sup -/p ..-->.. (..pi../sup -/..pi../sup +/)/sub rho//sup 0/X, and ..pi../sup -/p ..-->.. ..lambda../sup 0/X. Details of the analysis are discussed. These data can be fit by the expression = A + BlnM/sub X//sup 2/ + C*t* and the coefficients obtained for B are equal within their uncertainties. C is significantly different from zero only for ..pi../sup -/p ..-->.. ..pi../sup -//sub fast/X.

  6. Modeling and Control of a Photovoltaic Energy System Using the State-Space Averaging Technique

    Directory of Open Access Journals (Sweden)

    Mohd S. Jamri

    2010-01-01

    Full Text Available Problem statement: This study presented the modeling and control of a stand-alone Photovoltaic (PV system using the state-space averaging technique. Approach: The PV module was modeled based on the parameters obtained from a commercial PV data sheet while state-space method is used to model the power converter. A DC-DC boost converter was chosen to step up the input DC voltage of the PV module while the DC-AC single-phase full-bridge square-wave inverter was chosen to convert the input DC comes from boost converter into AC element. The integrated state-space model was simulated under a constant and a variable change of solar irradiance and temperature. In addition to that, maximum power point tracking method was also included in the model to ensure that optimum use of PV module is made. A circuitry simulation was performed under the similar test conditions in order to validate the state-space model. Results: Results showed that the state-space averaging model yields the similar performance as produced by the circuitry simulation in terms of the voltage, current and power generated. Conclusion/Recommendations: The state-space averaging technique is simple to be implemented in modeling and control of either simple or complex system, which yields the similar performance as the results from circuitry method.

  7. Photoemission spectra of charge density wave states in cuprates

    Science.gov (United States)

    Tu, Wei-Lin; Chen, Peng-Jen; Lee, Ting-Kuo

    Angle-resolved photoemission spectroscopy(ARPES) experiments have reported many exotic properties of cuprates, such as Fermi arc at normal state, two gaps at superconducting state and particle-hole asymmetry at the antinodal direction. On the other hand, a number of inhomogeneous states or so-called charge density waves(CDW) states have also been discovered in cuprates by many experimental groups. The relation between these CDW states and ARPES spectra is unclear. With the help of Gutzwiller projected mean-field theory, we can reproduce the quasiparticle spectra in momentum space. The spectra show strong correspondence to the experimental data with afore-mentioned exotic features in it.

  8. Low-energy state-selective charge transfer by multiply charged ions

    NARCIS (Netherlands)

    Lubinski, G; Juhasz, Z; Morgenstern, R; Hoekstra, R

    2001-01-01

    We present a combined rf-guided ion beam and photon emission spectroscopy method, which facilitates state-selective charge-transfer measurements at energies of direct relevance for astrophysics and fusion-plasma diagnostics and modeling. Ion energies have been varied from 1000 eV/amu down to energie

  9. Forecasting house prices in the 50 states using Dynamic Model Averaging and Dynamic Model Selection

    DEFF Research Database (Denmark)

    Bork, Lasse; Møller, Stig Vinther

    2015-01-01

    We examine house price forecastability across the 50 states using Dynamic Model Averaging and Dynamic Model Selection, which allow for model change and parameter shifts. By allowing the entire forecasting model to change over time and across locations, the forecasting accuracy improves...

  10. Isolating Protein Charge State Reduction in Electrospray Droplets Using Femtosecond Laser Vaporization

    Science.gov (United States)

    Karki, Santosh; Sistani, Habiballah; Archer, Jieutonne J.; Shi, Fengjian; Levis, Robert J.

    2017-01-01

    Charge state distributions are measured using mass spectrometry for both native and denatured cytochrome c and myoglobin after laser vaporization from the solution state into an electrospray (ES) plume consisting of a series of solution additives differing in gas-phase basicity. The charge distribution depends on both the pH of the protein solution prior to laser vaporization and the gas-phase basicity of the solution additive employed in the ES solvent. Cytochrome c (myoglobin) prepared in solutions with pH of 7.0, 2.6, and 2.3 resulted in the average charge state distribution (Zavg) of 7.0 ± 0.1 (8.2 ± 0.1), 9.7 ± 0.2 (14.5 ± 0.3), and 11.6 ± 0.3 (16.4 ± 0.1), respectively, in ammonium formate ES solvent. The charge distribution shifted from higher charge states to lower charge states when the ES solvent contained amines additives with higher gas-phase basicity. In the case of triethyl ammonium formate, Zavg of cytochrome c (myoglobin) prepared in solutions with pH of 7.0, 2.6, and 2.3 decreased to 4.9 (5.7), 7.4 ± 0.2 (9.6 ± 0.3), and 7.9 ± 0.3 (9.8 ± 0.2), respectively. The detection of a charge state distribution corresponding to folded protein after laser vaporized, acid-denatured protein interacts with the ES solvent containing ammonium formate, ammonium acetate, triethyl ammonium formate, and triethyl ammonium acetate suggests that at least a part of protein population folds within the electrospray droplet on a millisecond timescale.

  11. Statistical mechanics of the denatured state of a protein using replica-averaged metadynamics.

    Science.gov (United States)

    Camilloni, Carlo; Vendruscolo, Michele

    2014-06-25

    The characterization of denatured states of proteins is challenging because the lack of permanent structure in these states makes it difficult to apply to them standard methods of structural biology. In this work we use all-atom replica-averaged metadynamics (RAM) simulations with NMR chemical shift restraints to determine an ensemble of structures representing an acid-denatured state of the 86-residue protein ACBP. This approach has enabled us to reach convergence in the free energy landscape calculations, obtaining an ensemble of structures in relatively accurate agreement with independent experimental data used for validation. By observing at atomistic resolution the transient formation of native and non-native structures in this acid-denatured state of ACBP, we rationalize the effects of single-point mutations on the folding rate, stability, and transition-state structures of this protein, thus characterizing the role of the unfolded state in determining the folding process.

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

    Science.gov (United States)

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

    2016-05-01

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

  13. Modeling Battery Behavior for Accurate State-of-Charge Indication

    NARCIS (Netherlands)

    Pop, V.; Bergveld, H.J.; Veld, op het J.H.G.; Regtien, P.P.L.; Danilov, D.; Notten, P.H.L.

    2006-01-01

    Li-ion is the most commonly used battery chemistry in portable applications nowadays. Accurate state-of-charge (SOC) and remaining run-time indication for portable devices is important for the user's convenience and to prolong the lifetime of batteries. A new SOC indication system, combining the ele

  14. Universal state-of-charge indication for portable applications

    NARCIS (Netherlands)

    Pop, V.

    2007-01-01

    Many leading semiconductors companies (e.g. Philips, Texas Instruments, Microchip, Maxim, etc.) are paying even more attention to accurate State-of-Charge (SoC) indication. Following the technological revolution and the appearance of more power consuming devices on the automotive electronics and por

  15. Charged Cylindrical Polytropes with Generalized Polytropic Equation of State

    CERN Document Server

    Azam, M; Noureen, I; Rehman, M A

    2016-01-01

    We study the general formalism of polytropes in relativistic regime with generalized polytropic equations of state in the vicinity of cylindrical symmetry. We take charged anisotropic fluid distribution of matter with conformally flat condition for the development of general framework of polytropes. We discussed the stability of the model by Whittaker formula and concluded that one of the developed model is physically viable.

  16. Diode-Pumped High Energy and High Average Power All-Solid-State Picosecond Amplifier Systems

    OpenAIRE

    Jiaxing Liu; Wei Wang; Zhaohua Wang; Zhiguo Lv; Zhiyuan Zhang; Zhiyi Wei

    2015-01-01

    We present our research on the high energy picosecond laser operating at a repetition rate of 1 kHz and the high average power picosecond laser running at 100 kHz based on bulk Nd-doped crystals. With diode-pumped solid state (DPSS) hybrid amplifiers consisting of a picosecond oscillator, a regenerative amplifier, end-pumped single-pass amplifiers, and a side-pumped amplifier, an output energy of 64.8 mJ at a repetition rate of 1 kHz was achieved. An average power of 37.5 W at a repetition ra...

  17. Solar Energetic Particle drifts and the energy dependence of 1 AU charge states

    CERN Document Server

    Dalla, S; Battarbee, M

    2016-01-01

    The event-averaged charge state of heavy ion Solar Energetic Particles (SEPs), measured at 1 AU from the Sun, typically increases with the ions' kinetic energy. The origin of this behaviour has been ascribed to processes taking place within the acceleration region. In this paper we study the propagation through interplanetary space of SEP Fe ions, injected near the Sun with a variety of charge states that are uniformly distributed in energy, by means of a 3D test particle model. In our simulations, due to gradient and curvature drifts associated with the Parker spiral magnetic field, ions of different charge propagate with very different efficiencies to an observer that is not magnetically well connected to the source region. As a result we find that, for many observer locations, the 1 AU event-averaged charge state , as obtained from our model, displays an increase with particle energy E, in qualitative agreement with spacecraft observations. We conclude that drift-associated propagation is a possible explan...

  18. Solar Energetic Particle Drifts and the Energy Dependence of 1 AU Charge States

    Science.gov (United States)

    Dalla, S.; Marsh, M. S.; Battarbee, M.

    2017-01-01

    The event-averaged charge state of heavy ion solar energetic particles (SEPs), measured at 1 au from the Sun, typically increases with the ions’ kinetic energy. The origin of this behavior has been ascribed to processes taking place within the acceleration region. In this paper we study the propagation through interplanetary space of SEP Fe ions, injected near the Sun with a variety of charge states that are uniformly distributed in energy, by means of a 3D test particle model. In our simulations, due to gradient and curvature drifts associated with the Parker spiral magnetic field, ions of different charge propagate with very different efficiencies to an observer that is not magnetically well connected to the source region. As a result we find that, for many observer locations, the 1 au event-averaged charge state , as obtained from our model, displays an increase with particle energy E, in qualitative agreement with spacecraft observations. We conclude that drift-associated propagation is a possible explanation for the observed distribution of versus E in SEP events, and that the distribution measured in interplanetary space cannot be taken to represent that at injection.

  19. Vibrational Spectra of β″-Type BEDT-TTF Salts: Relationship between Conducting Property, Time-Averaged Site Charge and Inter-Molecular Distance

    Directory of Open Access Journals (Sweden)

    Takashi Yamamoto

    2012-07-01

    Full Text Available The relationship between the conducting behavior and the degree of charge fluctuation in the β″-type BEDT-TTF salts is reviewed from the standpoints of vibrational spectroscopy and crystal structure. A group of β″-type ET salts demonstrates the best model compounds for achieving the above relationship because the two-dimensional structure is simple and great diversity in conducting behavior is realized under ambient pressure. After describing the requirement for the model compound, the methodology for analyzing the results of the vibrational spectra is presented. Vibrational spectroscopy provides the time-averaged molecular charge, the charge distribution in the two-dimensional layer, and the inter-molecular interactions, etc. The experimental results applied to 2/3-filled and 3/4-filled β″-type ET salts are reported. These experimental results suggest that the conducting property, the difference in the time-averaged molecular charges between the ionic and neutral-like sites, the alternation in the inter-molecular distances and the energy levels in the charge distributions are relevant to one another. The difference in the time-averaged molecular charges, ∆ρ, is a useful criterion for indicating conducting behavior. All superconductors presented in this review are characterized as small but finite ∆ρ.

  20. Environment-protected solid-state-based distributed charge qubit

    Science.gov (United States)

    Tayebi, Amin; Hoatson, Tanya Nicole; Wang, Joie; Zelevinsky, Vladimir

    2016-12-01

    A solid-state-based charge qubit is presented. The system consists of a one-dimensional wire with a pair of qubits embedded at its center. It is shown that the system supports collective states localized in the left and right sides of the wire and therefore, as a whole, performs as a single qubit. The couplings between the ground and excited states of the two central qubits are inversely proportional making them fully asynchronized and allowing for coherent manipulation and gate operations. Initialization and measurement devices, such as leads and charge detectors, connected to the edges of the wire are modeled by a continuum of energy states. The coupling to the continuum is discussed using the effective non-Hermitian Hamiltonian. At weak continuum coupling, all internal states uniformly acquire small decay widths. This changes dramatically as the coupling strength increases: the width distribution undergoes a sharp restructuring and is no longer uniformly divided among the eigenstates. Two broad resonances localized at the ends of the wire are formed. These superradiant states (analogous to Dicke states in quantum optics) effectively protect the remaining internal states from decaying into the continuum and hence increase the lifetime of the qubit. Environmental noise is introduced by considering random Gaussian fluctuations of electronic energies. The interplay between decoherence and superradiance is studied by solving the stochastic Liouville equation. In addition to increasing the lifetime, the emergence of the superradiant states increases the qubit coherence.

  1. Fractional charge and spin states in topological insulator constrictions

    Science.gov (United States)

    Klinovaja, Jelena; Loss, Daniel

    2015-09-01

    We theoretically investigate the properties of two-dimensional topological insulator constrictions both in the integer and fractional regimes. In the presence of a perpendicular magnetic field, the constriction functions as a spin filter with near-perfect efficiency and can be switched by electric fields only. Domain walls between different topological phases can be created in the constriction as an interface between tunneling, magnetic fields, charge density wave, or electron-electron interaction dominated regions. These domain walls host non-Abelian bound states with fractional charge and spin and result in degenerate ground states with parafermions. If a proximity gap is induced bound states give rise to an exotic Josephson current with 8 π periodicity.

  2. Observations of high and low Fe charge states in individual solar wind streams with coronal-hole origin

    Science.gov (United States)

    Heidrich-Meisner, Verena; Peleikis, Thies; Kruse, Martin; Berger, Lars; Wimmer-Schweingruber, Robert

    2016-09-01

    Context. The solar wind originating from coronal holes is comparatively well-understood and is characterized by lower densities and average charge states compared to the so-called slow solar wind. Except for wave perturbations, the average properties of the coronal-hole solar wind are passably constant. Aims: In this case study, we focus on observations of the Solar Wind Ion Composition Spectrometer (SWICS) on the Advanced Composition Explorer (ACE) of individual streams of coronal-hole solar wind that illustrate that although the O and C charge states are low in coronal-hole wind, the Fe charge distribution is more variable. In particular, we illustrate that the Fe charge states in coronal-hole solar wind are frequently as high as in slow solar wind. Methods: We selected individual coronal-hole solar wind streams based on their collisional age as well as their respective O and C charge states and analyzed their Fe charge-state distributions. Additionally, with a combination of simple ballistic back-mapping and the potential field source surface model, transitions between streams with high and low Fe charge states were mapped back to the photosphere. The relative frequency of high and low Fe charge-state streams is compared for the years 2004 and 2006. Results: We found several otherwise typical coronal-hole streams that include Fe charge states either as high as or lower than in slow solar wind. Eight such transitions in 2006 were mapped back to equatorial coronal holes that were either isolated or connected to the northern coronal-hole. Attempts to identify coronal structures associated with the transitions were so far inconclusive.

  3. New charging strategy for lithium-ion batteries based on the integration of Taguchi method and state of charge estimation

    Science.gov (United States)

    Vo, Thanh Tu; Chen, Xiaopeng; Shen, Weixiang; Kapoor, Ajay

    2015-01-01

    In this paper, a new charging strategy of lithium-polymer batteries (LiPBs) has been proposed based on the integration of Taguchi method (TM) and state of charge estimation. The TM is applied to search an optimal charging current pattern. An adaptive switching gain sliding mode observer (ASGSMO) is adopted to estimate the SOC which controls and terminates the charging process. The experimental results demonstrate that the proposed charging strategy can successfully charge the same types of LiPBs with different capacities and cycle life. The proposed charging strategy also provides much shorter charging time, narrower temperature variation and slightly higher energy efficiency than the equivalent constant current constant voltage charging method.

  4. Charge transfer to ground-state ions produces free electrons

    Science.gov (United States)

    You, D.; Fukuzawa, H.; Sakakibara, Y.; Takanashi, T.; Ito, Y.; Maliyar, G. G.; Motomura, K.; Nagaya, K.; Nishiyama, T.; Asa, K.; Sato, Y.; Saito, N.; Oura, M.; Schöffler, M.; Kastirke, G.; Hergenhahn, U.; Stumpf, V.; Gokhberg, K.; Kuleff, A. I.; Cederbaum, L. S.; Ueda, K.

    2017-01-01

    Inner-shell ionization of an isolated atom typically leads to Auger decay. In an environment, for example, a liquid or a van der Waals bonded system, this process will be modified, and becomes part of a complex cascade of relaxation steps. Understanding these steps is important, as they determine the production of slow electrons and singly charged radicals, the most abundant products in radiation chemistry. In this communication, we present experimental evidence for a so-far unobserved, but potentially very important step in such relaxation cascades: Multiply charged ionic states after Auger decay may partially be neutralized by electron transfer, simultaneously evoking the creation of a low-energy free electron (electron transfer-mediated decay). This process is effective even after Auger decay into the dicationic ground state. In our experiment, we observe the decay of Ne2+ produced after Ne 1s photoionization in Ne-Kr mixed clusters.

  5. Charged cylindrical polytropes with generalized polytropic equation of state

    Science.gov (United States)

    Azam, M.; Mardan, S. A.; Noureen, I.; Rehman, M. A.

    2016-09-01

    We study the general formalism of polytropes in the relativistic regime with generalized polytropic equations of state in the vicinity of cylindrical symmetry. We take a charged anisotropic fluid distribution of matter with a conformally flat condition for the development of a general framework of the polytropes. We discuss the stability of the model by the Whittaker formula and conclude that one of the models developed is physically viable.

  6. Charged cylindrical polytropes with generalized polytropic equation of state

    Energy Technology Data Exchange (ETDEWEB)

    Azam, M. [University of Education, Division of Science and Technology, Lahore (Pakistan); Mardan, S.A.; Noureen, I.; Rehman, M.A. [University of the Management and Technology, Department of Mathematics, Lahore (Pakistan)

    2016-09-15

    We study the general formalism of polytropes in the relativistic regime with generalized polytropic equations of state in the vicinity of cylindrical symmetry. We take a charged anisotropic fluid distribution of matter with a conformally flat condition for the development of a general framework of the polytropes. We discuss the stability of the model by the Whittaker formula and conclude that one of the models developed is physically viable. (orig.)

  7. Diode-Pumped High Energy and High Average Power All-Solid-State Picosecond Amplifier Systems

    Directory of Open Access Journals (Sweden)

    Jiaxing Liu

    2015-12-01

    Full Text Available We present our research on the high energy picosecond laser operating at a repetition rate of 1 kHz and the high average power picosecond laser running at 100 kHz based on bulk Nd-doped crystals. With diode-pumped solid state (DPSS hybrid amplifiers consisting of a picosecond oscillator, a regenerative amplifier, end-pumped single-pass amplifiers, and a side-pumped amplifier, an output energy of 64.8 mJ at a repetition rate of 1 kHz was achieved. An average power of 37.5 W at a repetition rate of 100 kHz pumped by continuous wave laser diodes was obtained. Compact, stable and high power DPSS laser amplifier systems with good beam qualities are excellent picosecond sources for high power optical parametric chirped pulse amplification (OPCPA and high-efficiency laser processing.

  8. Quantum collision states for positive charges in an octahedral cage

    CERN Document Server

    Mendes, R V

    2003-01-01

    One-electron energy levels are studied for a configuration of two positive charges inside an octahedral cage, the vertices of the cage being occupied by atoms with a partially filled shell. Although ground states correspond to large separations, there are relatively low-lying states with large collision probabilities. Electromagnetic radiation fields used to excite the quantum collisional levels may provide a means to control nuclear reactions. However, given the scale of the excitation energies involved, this mechanism cannot provide an explanation for the unexplained ``cold fusion'' events.

  9. The National Program of Cancer Registries: Explaining State Variations in Average Cost per Case Reported

    Directory of Open Access Journals (Sweden)

    Hannah K. Weir, PhD

    2005-07-01

    Full Text Available Introduction The Centers for Disease Control and Prevention’s National Program of Cancer Registries is a federally funded surveillance program that provides support and assistance to state and territorial health departments for the operation of cancer registries. The objective of this study was to identify factors associated with the Centers for Disease Control and Prevention’s costs to report cancer cases during the first 5 years of the National Program of Cancer Registries. Methods Information on expenditures and number of cases reported through the National Program of Cancer Registries was used to estimate the average cost per case reported for each state program. Additional information was obtained from other sources, and regression analyses were used to assess the contribution of each factor. Results Average costs of the National Program of Cancer Registries differed substantially among programs and were inversely associated with the number of cases reported (P < .001. The geographic area of the state was positively associated with the cost (P = .01, as was the regional cost of living (P = .08, whereas the program type (i.e., enhancement or planning was inversely associated with cost (P = .08. Conclusion The apparent existence of economies of scale suggests that contiguous state programs might benefit from sharing infrastructure and other fixed costs, such as database management resources, depending on the geographic area and population size served. Sharing database management resources might also promote uniform data collection and quality control practices, reduce the information-sharing burden among states, and allow more resources to be used for other cancer prevention and control activities.

  10. Projectile charge state dependent sputtering of solid surfaces

    CERN Document Server

    Hayderer, G

    2000-01-01

    dependence on the ion kinetic energy. This new type of potential sputtering not only requires electronic excitation of the target material, but also the formation of a collision cascade within the target in order to initiate the sputtering process and has therefore been termed kinetically assisted potential sputtering. In order to study defects induced by potential sputtering on the atomic scale we performed measurements of multiply charged Ar ion irradiated HOPG (highly oriented pyrolitic graphite) samples with scanning tunneling microscopy (STM). The only surface defects found in the STM images are protrusions. The mean diameter of the defects increases with projectile charge state while the height of the protrusions stays roughly the same indicating a possible pre-equilibrium effect of the stopping of slow multiply charged projectiles in HOPG. Total sputter yields for impact of slow singly and multiply charged ions on metal- (Au), oxide- (Al2O3, MgO) and alkali-halide surfaces (LiF) have been measured as a...

  11. Charge Order Induced in an Orbital Density-Wave State

    Science.gov (United States)

    Singh, Dheeraj Kumar; Takimoto, Tetsuya

    2016-04-01

    Motivated by recent angle resolved photoemission measurements [D. V. Evtushinsky et al., Phys. Rev. Lett. 105, 147201 (2010)] and evidence of the density-wave state for the charge and orbital ordering [J. García et al., Phys. Rev. Lett. 109, 107202 (2012)] in La0.5Sr1.5MnO4, the issue of charge and orbital ordering in a two-orbital tight-binding model for layered manganite near half doping is revisited. We find that the charge order with the ordering wavevector 2{Q} = (π ,π ) is induced by the orbital order of d-/d+-type having B1g representation with a different ordering wavevector Q, where the orbital order as the primary order results from the strong Fermi-surface nesting. It is shown that the induced charge order parameter develops according to TCO - T by decreasing the temperature below the orbital ordering temperature TCO, in addition to the usual mean-field behavior of the orbital order parameter. Moreover, the same orbital order is found to stabilize the CE-type spin arrangement observed experimentally below TCE < TCO.

  12. Effect of Molecular Packing and Charge Delocalization on the Nonradiative Recombination of Charge-Transfer States in Organic Solar Cells

    KAUST Repository

    Chen, Xian Kai

    2016-09-05

    In organic solar cells, a major source of energy loss is attributed to nonradiative recombination from the interfacial charge transfer states to the ground state. By taking pentacene–C60 complexes as model donor–acceptor systems, a comprehensive theoretical understanding of how molecular packing and charge delocalization impact these nonradiative recombination rates at donor–acceptor interfaces is provided.

  13. Charged oscillator quantum state generation with Rydberg atoms

    CERN Document Server

    Stevenson, Robin; Hofferberth, Sebastian; Lesanovsky, Igor

    2016-01-01

    We explore the possibility of engineering quantum states of a charged mechanical oscillator by coupling it to a stream of atoms in superpositions of high-lying Rydberg states. Our scheme relies on the driving of a two-phonon resonance within the oscillator by coupling it to an atomic two-photon transition. This approach effectuates a controllable open system dynamics on the oscillator that permits the creation of squeezed and other non-classical states. We show that these features are robust to thermal noise arising from a coupling of the oscillator with the environment. The possibility to create non-trivial quantum states of mechanical systems, provided by the proposed setup, is central to applications such as sensing and metrology and moreover allows the exploration of fundamental questions concerning the boundary between classical and quantum mechanical descriptions of macroscopic objects.

  14. Charge state breeding experiences and plans at TRIUMF

    Energy Technology Data Exchange (ETDEWEB)

    Ames, F., E-mail: ames@triumf.ca; Marchetto, M.; Mjøs, A.; Morton, A. C. [TRIUMF, 4004 Wesbrook Mall, Vancouver, British Columbia V6T2A3 (Canada)

    2016-02-15

    At the Isotope Separation and ACceleration (ISAC) facility at TRIUMF, an electron cyclotron resonance ion source (ECRIS) has been set up for the charge state breeding of radioactive ions. In order to reduce background from stable ions generated in the ECRIS, several measures, including changing materials for the plasma chamber and the surrounding components, have been implemented. Further reduction has been achieved by using the post-accelerator chain as a mass filter. Since the implementation of those measures in 2013, physics experiments with accelerated radioactive isotopes of Rb, Sr, K, and Mg have been performed. In most cases, a charge breeding efficiency of several percent has been achieved. With the planned expansion of the isotope production capabilities at TRIUMF within the Advanced Rare IsotopE Laboratory project, two new target stations, one using photo-fission induced by a high-power electron beam at 50 MeV and the other one using 480 MeV protons as at ISAC, will be put into operation within the next 5 yr. Additionally, a new electron beam ion source (EBIS) based charge state breeding system will be installed. Background from such a source is expected to be much lower. The drawback is that for the efficient operation of such a system, pulsed beam operation is required, which makes the installation of an additional ion buncher in front of the EBIS necessary.

  15. MULTIPLY CHARGED IONS COLLISIONS WITH ATOMS INTO EXCITED STATES

    Institute of Scientific and Technical Information of China (English)

    PanGuangyan

    1990-01-01

    The emission spectra in collisions between Ions and Atoms have been measured by an Optical Multichannel Analysis System (OMA).The experimental results demonstrate that there are two channels of excitation in collision between single charged ions and atoms and three channels of excitation in collision between double charged ions and atoms.Emission cross cestions and excitation cross sections have been obtained.K.Kadota et al and R.Shingal et al suggested that,under the appropriate conditions,the H42+-Li and He2++Na collision systems can be used efficiently to produce a laser of Lyman-α(30,4nm) and Lyman-β(25.6nm)lines via cascade to He+(2P)state.

  16. A Numerical Model for Ion Charge Distribution of Plasmas in Collisional Radiative Steady State

    Institute of Scientific and Technical Information of China (English)

    DUAN Yaoyong; GUO Yonghui; QIU Aici; KUAI Bin

    2009-01-01

    A numerical model for the charge state distribution of plasmas in a collisional ra-diative steady state (CRSS) is established by averaging over the atomic process rate coefficients in universal kinetic equations.It is used to calculate the mean ion charge and ion population for a given temperature and density of the plasmas,ranging from low Z to high Z elements.The comparisons of the calculated results with those of other non-local thermodynamic equilibrium kinetics codes show that this model possesses acceptable precision.Furthermore,the NLTE effects are investigated by virtue of the model,and the differences between CRSS and LTE models for low density plasmas are quite evident.

  17. The dependence of the electronic conductivity of carbon molecular sieve electrodes on their charging states.

    Science.gov (United States)

    Pollak, Elad; Genish, Isaschar; Salitra, Gregory; Soffer, Abraham; Klein, Lior; Aurbach, Doron

    2006-04-13

    The dependence of the electronic conductivity of activated carbon electrodes on their potential in electrolyte solutions was examined. Kapton polymer films underwent carbonization (1000 degrees C), followed by a mild oxidation process (CO(2) at 900 degrees C) for various periods of time, to obtain carbons of different pore structures. A specially designed cell was assembled in order to measure the conductivity of carbon electrodes at different potentials in solutions. When the carbon electrodes possessed molecular sieving properties, a remarkable dependence of their conductivity on their charging state was observed. Aqueous electrolyte solutions containing ions of different sizes were used in order to demonstrate this phenomenon. As the average pore size of the activated carbons was larger, their molecular sieving ability was lower, and the dependence of their conductivity on their charging state regained its classical form. This behavior is discussed herein.

  18. High-Intensity, High Charge-State Heavy Ion Sources

    CERN Document Server

    Alessi, J

    2004-01-01

    There are many accelerator applications for high intensity heavy ion sources, with recent needs including dc beams for RIA, and pulsed beams for injection into synchrotrons such as RHIC and LHC. The present status of sources producing high currents of high charge state heavy ions will be reviewed. These sources include ECR, EBIS, and Laser ion sources. The benefits and limitations for these type sources will be described, for both dc and pulsed applications. Possible future improvements in these type sources will also be discussed.

  19. Local solid-state modification of nanopore surface charges

    CERN Document Server

    Kox, Ronald; Chen, Chang; Arjmandi, Nima; Lagae, Liesbet; Borghs, Gustaaf; 10.1088/0957-4484/21/33/335703

    2012-01-01

    The last decade, nanopores have emerged as a new and interesting tool for the study of biological macromolecules like proteins and DNA. While biological pores, especially alpha-hemolysin, have been promising for the detection of DNA, their poor chemical stability limits their use. For this reason, researchers are trying to mimic their behaviour using more stable, solid-state nanopores. The most successful tools to fabricate such nanopores use high energy electron or ions beams to drill or reshape holes in very thin membranes. While the resolution of these methods can be very good, they require tools that are not commonly available and tend to damage and charge the nanopore surface. In this work, we show nanopores that have been fabricated using standard micromachning techniques together with EBID, and present a simple model that is used to estimate the surface charge. The results show that EBID with a silicon oxide precursor can be used to tune the nanopore surface and that the surface charge is stable over a...

  20. Identifying interfacial charge transfer states in organic heterostructures (Conference Presentation)

    Science.gov (United States)

    Arndt, Andreas P.; Gerhard, Marina; Howard, Ian A.; Koch, Martin; Lemmer, Ulrich

    2016-09-01

    Charge transfer (CT) states play evidently an important role at the interface of organic heterostructures but their identification and characterization is often experimentally less obvious and challenging. We studied two exemplary material systems which both represented a benchmark within the research of organic photovoltaics at their time: the homopolymer P3HT blended with PC61BM and the copolymer PTB7 blended with PC71BM. In both heterostructures, we could identify a distinct CT state emission by the use of NIR time-resolved photoluminescence (PL) [1], [2]. The selectivity of this technique enables us to clearly probe the energetics and dynamics of weak emitting interfacial states and therefore to prove differences in the CT state characteristics between the two systems. We went beyond this previous work and investigated the time and temperature dependent emission anisotropy as well as the electric field dependence of the time-resolved PL for both blends and the pristine polymers, respectively. In both cases the CT state emission clearly deviates from the one of the primarily excited singlet excitons: the emission anisotropy reveals an additional relaxation pathway for the exciton which is connected with a change of the transition dipole moment of the emission, and under applied bias different quenching thresholds can give access to varying binding energies of the emissive excitons involved. Finally, we think that our findings demonstrate how interfacial CT state emission can be clearly identified as such and how it can be unambiguously distinguished from singlet exciton emission.

  1. Analysis of Ion Charge States in Solar Wind and CMEs

    Indian Academy of Sciences (India)

    Arati Dasgupta; J. M. Laming

    2008-03-01

    We discuss needs in dielectronic recombination data motivated by recent work directed at a quantitative understanding of ion charge states of various elements observed in situ in the solar wind and CMEs. The competing processes of ionization and recombination lead to departures from collision ionization equilibrium. The use of this as a diagnostic of acceleration and heating processes of the solar wind and CMEs is sensitive to the accuracy of the atomic rates in a way that steady state ionization equilibrium plasmas are not. The most pressing need is dielectronic recombination rates for ions Fe8+-12+. These are among the dominant species observed in various regions of the solar wind and CMEs, and in remotely sensed EUV spectra.

  2. The charge state of iron implanted into sapphire

    Energy Technology Data Exchange (ETDEWEB)

    McHargue, C.J.; Sklad, P.S.; White, C.W.; Farlow, G.C.; Perez, A.; Kornilios, N.; Marest, G.

    1987-08-01

    Several techniques (RBS, TEM, CEMS) have been used to characterize sapphire single crystals implanted with iron at room temperature to fluences of 10/sup 16/ to 10/sup 17/ ions cm/sup -2/. At low fluences the as-implanted iron is found mainly in the ferrous state. As the fluence is increased, Fe/sup 3 +/ and metallic iron clusters became dominant. There is a strong correlation between the probability of finding specific configurations of iron ions within four cation coordination shells and the relative amounts of each charge state observed. The superparamagnetic behavior of the clusters suggest that they are of the order of 2 nm in size but the large amount of irradiation-induced damage and residual stress has prevented their imaging by TEM. 13 refs., 7 figs.

  3. Support vector based battery state of charge estimator

    Science.gov (United States)

    Hansen, Terry; Wang, Chia-Jiu

    This paper investigates the use of a support vector machine (SVM) to estimate the state-of-charge (SOC) of a large-scale lithium-ion-polymer (LiP) battery pack. The SOC of a battery cannot be measured directly and must be estimated from measurable battery parameters such as current and voltage. The coulomb counting SOC estimator has been used in many applications but it has many drawbacks [S. Piller, M. Perrin, Methods for state-of-charge determination and their application, J. Power Sources 96 (2001) 113-120]. The proposed SVM based solution not only removes the drawbacks of the coulomb counting SOC estimator but also produces accurate SOC estimates, using industry standard US06 [V.H. Johnson, A.A. Pesaran, T. Sack, Temperature-dependent battery models for high-power lithium-ion batteries, in: Presented at the 17th Annual Electric Vehicle Symposium Montreal, Canada, October 15-18, 2000. The paper is downloadable at website http://www.nrel.gov/docs/fy01osti/28716.pdf] aggressive driving cycle test procedures. The proposed SOC estimator extracts support vectors from a battery operation history then uses only these support vectors to estimate SOC, resulting in minimal computation load and suitable for real-time embedded system applications.

  4. Coulomb charging energy of vacancy-induced states in graphene

    Science.gov (United States)

    Miranda, V. G.; Dias da Silva, Luis G. G. V.; Lewenkopf, C. H.

    2016-08-01

    Vacancies in graphene have been proposed to give rise to π -like magnetism in carbon materials, a conjecture which has been supported by recent experimental evidence. A key element in this "vacancy magnetism" is the formation of magnetic moments in vacancy-induced electronic states. In this work we compute the charging energy U of a single-vacancy-generated localized state for bulk graphene and graphene ribbons. We use a tight-binding model to calculate the dependency of the charging energy U on the amplitudes of the localized wave function on the graphene lattice sites. We show that for bulk graphene U scales with the system size L as (lnL) -2, confirming the predictions in the literature, based on heuristic arguments. In contrast, we find that for realistic system sizes U is of the order of eV, a value that is orders of magnitude higher than the previously reported estimates. Finally, when edges are considered, we show that U is very sensitive to the vacancy position with respect to the graphene flake boundaries. In the case of armchair nanoribbons, we find a strong enhancement of U in certain vacancy positions as compared to the value for vacancies in bulk graphene.

  5. Application of Genetic Neural Network in Power Battery Charging State-of-Charge Estimation

    Directory of Open Access Journals (Sweden)

    Yongqin Zhou

    2011-03-01

    Full Text Available With global non-renewable resources and environmental issues becoming more apparent, the development of new energy vehicles have become the trend of auto industry. Hybrid vehicle becomes the key development of new energy vehicles with its long distance, low pollution, low fuel consumption characteristics and so on. The battery performances directly influence the quality of the whole vehicle performance. Considering the importance of the battery state of charge (SOC estimation and the nonlinear relationship between the battery SOC and the external characteristic, genetic algorithm (GA and back propagation (BP neural network are proposed. Because of the strong global search capability of the genetic algorithm and the generalization ability of BP neural network, the hybrid vehicle Ni-MH power battery GA-BP charging model is designed. In this approach, the network training speed is superior to the traditional BP network. According to the real-time data of the batteries, the optimal solution can be concluded in a short time and with high estimation precision.

  6. Role of band states and trap states in the charge transport properties of organic semiconductors (Conference Presentation)

    Science.gov (United States)

    Coropceanu, Veaceslav

    2016-11-01

    In this contribution, we examine the main factors that define charge transport in organic semiconductors. We consider both crystals based on a single molecule building block, such as oligoacenes, and two-component donor-acceptor crystals in which one component acts as an electron donor and the other as an acceptor. We will first discuss the state-of-the-art methodologies used in the derivation of the microscopic parameters (electron-vibration couplings, transfer integrals, band gaps, bandwidths, and effective masses) describing charge transport. In particular, we will discuss the impact that the amount of nonlocal Hartree-Fock exchange included in a hybrid density functional has on these parameters. In order to understand the role of disorder we use a combination of electronic-structure calculations and molecular mechanics/molecular dynamics simulations complemented by ensemble and time average approaches to separate the static and dynamic disorder components. The temperature dependence of the charge carrier mobility is studied by treating the electron-phonon interaction as a perturbation (Boltzmann theory), in the static approximation (Kubo formalism) and in the framework of mixed quantum/classical dynamics. Finally, based on the results of the kinetic Monte Carlo simulations we will compare the merits of a hopping model and a mobility edge model in the description of the effect of charge-carrier concentration on the electrical conductivity, carrier mobility, and Fermi energy of organic semiconductors.

  7. The lowest-energy charge-transfer state and its role in charge separation in organic photovoltaics.

    Science.gov (United States)

    Nan, Guangjun; Zhang, Xu; Lu, Gang

    2016-06-29

    Energy independent, yet higher than 90% internal quantum efficiency (IQE), has been observed in many organic photovoltaics (OPVs). However, its physical origin remains largely unknown and controversial. The hypothesis that the lowest charge-transfer (CT) state may be weakly bound at the interface has been proposed to rationalize the experimental observations. In this paper, we study the nature of the lowest-energy CT (CT1) state, and show conclusively that the CT1 state is localized in typical OPVs. The electronic couplings in the donor and acceptor are found to determine the localization of the CT1 state. We examine the geminate recombination of the CT1 state and estimate its lifetime from first principles. We identify the vibrational modes that contribute to the geminate recombination. Using material parameters determined from first principles and experiments, we carry out kinetic Monte Carlo simulations to examine the charge separation of the localized CT1 state. We find that the localized CT1 state can indeed yield efficient charge separation with IQE higher than 90%. Dynamic disorder and configuration entropy can provide the energetic and entropy driving force for charge separation. Charge separation efficiency depends more sensitively on the dimension and crystallinity of the acceptor parallel to the interface than that normal to the interface. Reorganization energy is found to be the most important material parameter for charge separation, and lowering the reorganization energy of the donor should be pursued in the materials design.

  8. The Charge State of Polycyclic Aromatic Hydrocarbons Across Reflection Nebulae: PAH Charge Balance and Calibration

    Science.gov (United States)

    Boersma, C.; Bregman, J.; Allamandola, L. J.

    2016-11-01

    Low-resolution Spitzer spectral map data (>1700 spectra) of ten reflection nebulae (RNe) fields are analyzed using the data and tools available through the NASA Ames PAH IR Spectroscopic Database. The PAH emission is broken down into PAH charge state using a database fitting approach. Here, the physics of the PAH emission process is taken into account and uses target appropriate parameters, e.g., a stellar radiation model for the exciting star. The breakdown results are combined with results derived using the traditional PAH band strength approach, which interprets particular PAH band strength ratios as proxies for the PAH charge state, e.g., the 6.2/11.2 μm PAH band strength ratio. These are successfully calibrated against their database equivalent; the PAH ionized fraction (f i ). The PAH ionized fraction is converted into the PAH ionization parameter, which relates the PAH ionized fraction to the strength of the radiation field, gas temperature and electron density. The behavior of the 12.7 μm PAH band is evaluated as a tracer for PAH ionization and erosion. The plot of the 8.6 versus 11.2 μm PAH band strength for the northwest photo-dominated region (PDR) in NGC 7023 is shown to be a robust diagnostic template for the PAH ionized fraction. Remarkably, most of the other RNe fall within the limits set by NGC 7023. Finally, PAH spectroscopic templates are constructed and verified as principal components. Template spectra derived from NGC 7023 and NGC 2023 compare extremely well with each other, with those derived for NGC 7023 successfully reproducing the PAH emission observed from NGC 2023.

  9. Charge-state-dependent energy loss of slow ions. I. Experimental results on the transmission of highly charged ions

    Science.gov (United States)

    Wilhelm, Richard A.; Gruber, Elisabeth; Smejkal, Valerie; Facsko, Stefan; Aumayr, Friedrich

    2016-05-01

    We report on energy loss measurements of slow (v ≪v0 ), highly charged (Q >10 ) ions upon transmission through a 1-nm-thick carbon nanomembrane. We emphasize here the scaling of the energy loss with the velocity and charge exchange or loss. We show that a weak linear velocity dependence exists, whereas charge exchange dominates the kinetic energy loss, especially in the case of a large charge capture. A universal scaling of the energy loss with the charge exchange and velocity is found and discussed in this paper. A model for charge-state-dependent energy loss for slow ions is presented in paper II in this series [R. A. Wilhelm and W. Möller, Phys. Rev. A 93, 052709 (2016), 10.1103/PhysRevA.93.052709].

  10. High Intensity High Charge State ECR Ion Sources

    CERN Document Server

    Leitner, Daniela

    2005-01-01

    The next-generation heavy ion beam accelerators such as the proposed Rare Isotope Accelerator (RIA), the Radioactive Ion Beam Factory at RIKEN, the GSI upgrade project, the LHC-upgrade, and IMP in Lanzhou require a great variety of high charge state ion beams with a magnitude higher beam intensity than currently achievable. High performance Electron Cyclotron Resonance (ECR) ion sources can provide the flexibility since they can routinely produce beams from hydrogen to uranium. Over the last three decades, ECR ion sources have continued improving the available ion beam intensities by increasing the magnetic fields and ECR heating frequencies to enhance the confinement and the plasma density. With advances in superconducting magnet technology, a new generation of high field superconducting sources is now emerging, designed to meet the requirements of these next generation accelerator projects. The talk will briefly review the field of high performance ECR ion sources and the latest developments for high intens...

  11. State of charge estimation in Ni-MH rechargeable batteries

    Energy Technology Data Exchange (ETDEWEB)

    Milocco, R.H. [Grupo Control Automatico y Sistemas (GCAyS), Depto. Electrotecnia, Facultad de Ingenieria, Universidad Nacional del Comahue, Buenos Aires 1400, 8300 Neuquen (Argentina); Castro, B.E. [Instituto de Investigaciones Fisicoquimicas Teoricas y Aplicadas (INIFTA), Universidad Nacional de La Plata, Suc 4, CC16 (1900), La Plata (Argentina)

    2009-10-20

    In this work we estimate the state of charge (SOC) of Ni-MH rechargeable batteries using the Kalman filter based on a simplified electrochemical model. First, we derive the complete electrochemical model of the battery which includes diffusional processes and kinetic reactions in both Ni and MH electrodes. The full model is further reduced in a cascade of two parts, a linear time invariant dynamical sub-model followed by a static nonlinearity. Both parts are identified using the current and potential measured at the terminals of the battery with a simple 1-D minimization procedure. The inverse of the static nonlinearity together with a Kalman filter provide the SOC estimation as a linear estimation problem. Experimental results with commercial batteries are provided to illustrate the estimation procedure and to show the performance. (author)

  12. Low charge state heavy ion production with sub-nanosecond laser

    Energy Technology Data Exchange (ETDEWEB)

    Kanesue, T., E-mail: tkanesue@bnl.gov; Okamura, M. [Collider-Accelerator Department, Brookhaven National Laboratory, Upton, New York 11973 (United States); Kumaki, M. [Research Institute for Science and Engineering, Waseda University, Tokyo 169-8555 (Japan); Nishina Center for Accelerator-Based Science, RIKEN, Saitama 351-0198 (Japan); Ikeda, S. [Nishina Center for Accelerator-Based Science, RIKEN, Saitama 351-0198 (Japan); Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, Kanagawa 226-8503 (Japan)

    2016-02-15

    We have investigated laser ablation plasma of various species using nanosecond and sub-nanosecond lasers for both high and low charge state ion productions. We found that with sub-nanosecond laser, the generated plasma has a long tail which has low charge state ions determined by an electrostatic ion analyzer even under the laser irradiation condition for highly charged ion production. This can be caused by insufficient laser absorption in plasma plume. This property might be suitable for low charge state ion production. We used a nanosecond laser and a sub-nanosecond laser for low charge state ion production to investigate the difference of generated plasma using the Zirconium target.

  13. Low charge state heavy ion production with sub-nanosecond laser.

    Science.gov (United States)

    Kanesue, T; Kumaki, M; Ikeda, S; Okamura, M

    2016-02-01

    We have investigated laser ablation plasma of various species using nanosecond and sub-nanosecond lasers for both high and low charge state ion productions. We found that with sub-nanosecond laser, the generated plasma has a long tail which has low charge state ions determined by an electrostatic ion analyzer even under the laser irradiation condition for highly charged ion production. This can be caused by insufficient laser absorption in plasma plume. This property might be suitable for low charge state ion production. We used a nanosecond laser and a sub-nanosecond laser for low charge state ion production to investigate the difference of generated plasma using the Zirconium target.

  14. Instantaneous charge state of Uranium projectiles in fully ionized plasmas from energy loss experiments

    CERN Document Server

    Morales, Roberto; Casas, David

    2016-01-01

    The instantaneous charge state of uranium ions traveling through a fully ionized hydrogen plasma has been theoretically studied and compared with one of the first energy loss experiments in plasmas, carried out at GSI-Darmstadt by Hoffmann \\textit{et al.} in the 90's. For this purpose, two different methods to estimate the instantaneous charge state of the projectile have been employed: (1) rate equations using ionization and recombination cross sections, and (2) equilibrium charge state formulas for plasmas. Also, the equilibrium charge state has been obtained using these ionization and recombination cross sections, and compared with the former equilibrium formulas. The equilibrium charge state of projectiles in plasmas is not always reached, it depends mainly on the projectile velocity and the plasma density. Therefore, a non-equilibrium or an instantaneous description of the projectile charge is necessary. The charge state of projectile ions cannot be measured, except after exiting the target, and experime...

  15. Absence of State Collapse and Revival in a Superconducting Charge Qubit

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The Hamiltonian of a superconducting charge qubit with a configuration of dc SQUID contains an interaction between the LC oscillator part and charge qubit. This interaction may leads to quantum state collapse and revival which degrades the charge qubits and leads to serious decoherence. An analysis shows that the existing charge qubit parameters do not lead to this phenomenon, which is very good for the superconducting charge qubit.

  16. Molecular effect on equilibrium charge-state distributions. [of nitrogen ions injected through carbon foil

    Science.gov (United States)

    Wickholm, D.; Bickel, W. S.

    1976-01-01

    The paper describes an experiment consisting of the acceleration of N(+) and N2(+) ions to energies between 0.25 and 1.75 MeV and their injection through a thin carbon foil, whereupon they were charge-state analyzed with an electrostatic analyzer. A foil-covered electrically suppressed Faraday cup, connected to a stepping motor, moved in the plane of the dispersed beams. The Faraday cup current, which was proportional to the number of incident ions, was sent to a current digitizer and computer programmed as a multiscaler. The energy-dependent charge-state fractions, the mean charge and the distribution width were calculated. It was shown that for incident atoms, the charge state distribution appeared to be spread over more charge states, while for the incident molecules, there was a greater fraction of charge states near the mean charge.

  17. Diagnostics of many-particle electronic states: non-stationary currents and residual charge dynamics

    Science.gov (United States)

    Maslova, N. S.; Mantsevich, V. N.; Arseyev, P. I.

    2017-01-01

    We propose the method for identifying many particle electronic states in the system of coupled quantum dots (impurities) with Coulomb correlations. We demonstrate that different electronic states can be distinguished by the complex analysis of localized charge dynamics and non-stationary characteristics. We show that localized charge time evolution strongly depends on the properties of initial state and analyze different time scales in charge kinetics for initially prepared singlet and triplet states. We reveal the conditions for existence of charge trapping effects governed by the selection rules for electron transitions between the states with different occupation numbers.

  18. Aerosol charging state at an urban site: new analytical approach and implications for ion-induced nucleation

    Directory of Open Access Journals (Sweden)

    S. Gagné

    2012-05-01

    Full Text Available The charging state of aerosol populations was determined using an Ion-DMPS in Helsinki, Finland between December 2008 and February 2010. We extrapolated the charging state and calculated the ion-induced nucleation fraction to be around 1.3 % ± 0.4 % at 2 nm and 1.3 % ± 0.5 % at 1.5 nm, on average. We present a new method to retrieve the average charging state for a new particle formation event, at a given size and polarity. We improve the uncertainty assessment and fitting technique used previously with an Ion-DMPS. We also use a new theoretical framework that allows for different concentrations of small ions for different polarities (polarity asymmetry. We extrapolate the ion-induced fraction using polarity symmetry and asymmetry. Finally, a method to calculate the growth rates from the behaviour of the charging state as a function of the particle diameter using polarity symmetry and asymmetry is presented and used on a selection of new particle formation events.

  19. Excited-state dynamics of hybrid multichromophoric systems: toward an excitation wavelength control of the charge separation pathways.

    Science.gov (United States)

    Banerji, Natalie; Duvanel, Guillaume; Perez-Velasco, Alejandro; Maity, Santanu; Sakai, Naomi; Matile, Stefan; Vauthey, Eric

    2009-07-23

    The photophysical properties of two hybrid multichromophoric systems consisting of an oligophenylethynyl (OPE) scaffold decorated by 10 red or blue naphthalene diimides (NDIs) have been investigated using femtosecond spectroscopy. Ultrafast charge separation was observed with both red and blue systems. However, the nature of the charge-separated state and its lifetime were found to differ substantially. For the red system, electron transfer occurs from the OPE scaffold to an NDI unit, independently of whether the OPE or an NDI is initially excited. However, charge separation upon OPE excitation is about 10 times faster, and takes place with a 100 fs time constant. The average lifetime of the ensuing charge-separated state amounts to about 650 ps. Charge separation in the blue system depends on which of the OPE scaffold or an NDI is excited. In the first case, an electron is transferred from the OPE to an NDI and the hole subsequently shifts to another NDI unit, whereas in the second case symmetry-breaking charge separation between two NDI units occurs. Although the charges are located on two NDIs in both cases, different recombination dynamics are observed. This is explained by the location of the ionic NDI moieties that depends on the charge separation pathway, hence on the excitation wavelength. The very different dynamics observed with red and blue systems can be accounted for by the oxidation potentials of the respective NDIs that are higher and lower than that of the OPE scaffold. Because of this, the relative energies of the two charge-separated states (hole on the OPE or an NDI) are inverted.

  20. Entanglement in random pure states: spectral density and average von Neumann entropy

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Santosh; Pandey, Akhilesh, E-mail: skumar.physics@gmail.com, E-mail: ap0700@mail.jnu.ac.in [School of Physical Sciences, Jawaharlal Nehru University, New Delhi 110 067 (India)

    2011-11-04

    Quantum entanglement plays a crucial role in quantum information, quantum teleportation and quantum computation. The information about the entanglement content between subsystems of the composite system is encoded in the Schmidt eigenvalues. We derive here closed expressions for the spectral density of Schmidt eigenvalues for all three invariant classes of random matrix ensembles. We also obtain exact results for average von Neumann entropy. We find that maximum average entanglement is achieved if the system belongs to the symplectic invariant class. (paper)

  1. Probing lithium-ion batteries' state-of-charge using ultrasonic transmission - Concept and laboratory testing

    Science.gov (United States)

    Gold, Lukas; Bach, Tobias; Virsik, Wolfgang; Schmitt, Angelika; Müller, Jana; Staab, Torsten E. M.; Sextl, Gerhard

    2017-03-01

    For electrically powered applications such as consumer electronics and especially for electric vehicles a precise state-of-charge estimation for their lithium-ion batteries is desired to reduce aging, e.g. avoiding detrimental states-of-charge. Today, this estimation is performed by battery management systems that solely rely on charge bookkeeping and cell voltage measurements. In the present work we introduce a new, physical probe for the state-of-charge based on ultrasonic transmission. Within the simple experimental setup raised cosine pulses are applied to lithium-ion battery pouch cells, whose signals are sensitive to changes in porosity of the graphite anode during charging/dis-charging and, therefore, to the state-of-charge. The underlying physical principle can be related to Biot's theory about propagation of waves in fluid saturated porous media and by including scattering by boundary layers inside the cell.

  2. High Average Power Diode Pumped Solid State Lasers: Power Scaling With High Spectral and Spatial Coherence

    Science.gov (United States)

    2009-03-30

    sensing and coherent LIDAR systems, will require kW class lasers in the near future. The zigzag slab architecture [2], with its nearly one-dimensional... photodetectors ; PM1, PM2, PM3: thermal power meters; HBS1: 1064 nm holographic beam sampler; HBS2: 532-nm holographic beam sampler; LD: laser diode; CCD: charge...recombining pairs is measured by a photodetector . This measurement shows higher PL intensity as the material is improved by reducing defect density. We tried

  3. Lithium-Ion Battery Failure: Effects of State of Charge and Packing Configuration

    Science.gov (United States)

    2016-08-22

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6180--16-9689 Lithium-Ion Battery Failure: Effects of State of Charge and Packing ...PAGES 17. LIMITATION OF ABSTRACT Lithium-Ion Battery Failure: Effects of State of Charge and Packing Configuration Neil S. Spinner,* Katherine M. Hinnant...geometries, abuse scenarios, and analysis techniques. In this report, different states of charge and packing configurations of a commercially available

  4. Universal Bounds on Charged States in 2d CFT and 3d Gravity

    CERN Document Server

    Benjamin, Nathan; Fitzpatrick, A Liam; Kachru, Shamit

    2016-01-01

    We derive an explicit bound on the dimension of the lightest charged state in two dimensional conformal field theories with a global abelian symmetry. We find that the bound scales with $c$ and provide examples that parametrically saturate this bound. We also prove than any such theory must contain a state with charge-to-mass ratio above a minimal lower bound. We comment on the implications for charged states in three dimensional theories of gravity.

  5. Rendering high charge density of states in ionic liquid-gated MoS 2 transistors

    NARCIS (Netherlands)

    Lee, Y.; Lee, J.; Kim, S.; Park, H.S.

    2014-01-01

    We investigated high charge density of states (DOS) in the bandgap of MoS2 nanosheets with variable temperature measurements on ionic liquid-gated MoS2 transistors. The thermally activated charge transport indicates that the electrical current in the two-dimensional MoS 2 nanosheets under high charg

  6. A simple scheme to generate x-type four-charge entangled states in circuit QED

    Institute of Scientific and Technical Information of China (English)

    Gao Gui-Long; Song Fu-Quan; Huang Shou-Sheng; Wang Hui; Yuan Xian-Zhang; Wang Ming-Feng; Jiang Nian-Quan

    2012-01-01

    We propose a simple scheme to generate x-type four-charge entangled states by using SQUID-based charge qubits capacitively coupled to a transmission line resonator (TLR).The coupling between the superconducting qubit and the TLR can be effectively controlled by properly adjusting the control parameters of the charge qubit.The experimental feasibility of our scheme is also shown.

  7. Charge state distributions and charge exchange cross sections of carbon in helium at 30-258 keV

    Science.gov (United States)

    Maxeiner, Sascha; Seiler, Martin; Suter, Martin; Synal, Hans-Arno

    2015-10-01

    With the introduction of helium stripping in radiocarbon (14C) accelerator mass spectrometry (AMS), higher +1 charge state yields in the 200 keV region and fewer beam losses are observed compared to nitrogen or argon stripping. To investigate the feasibility of even lower beam energies for 14C analyses the stripping characteristics of carbon in helium need to be further studied. Using two different AMS systems at ETH Zurich (myCADAS and MICADAS), ion beam transmissions of carbon ions for the charge states -1, +1, +2 and +3 were measured in the range of 258 keV down to 30 keV. The correction for beam losses and the extraction of charge state yields and charge exchange cross sections will be presented. An increase in population of the +1 charge state towards the lowest measured energies up to 75% was found as well as agreement with previous data from literature. The findings suggest that more compact radiocarbon AMS systems are possible and could provide even higher efficiency than current systems operating in the 200 keV range.

  8. Magnetism tuned by the charge states of defects in bulk C-doped SnO2 materials.

    Science.gov (United States)

    Lu, Ying-Bo; Ling, Z C; Cong, Wei-Yan; Zhang, Peng

    2015-10-21

    To analyze the controversial conclusions on the magnetism of C-doped SnO2 (SnO2:C) bulk materials between theoretical calculations and experimental observations, we propose the critical role of the charge states of defects in the geometric structures and magnetism, and carry out a series of first principle calculations. By changing the charge states, we can influence Bader charge distributions and atomic orbital occupancies in bulk SnO2:C systems, which consequently conduct magnetism. In all charged SnO2:C supercells, C-2px/py/pz electron occupancies are significantly changed by the charge self-regulation, and thus they make the C-2p orbitals spin polarized, which contribute to the dominant magnetic moment of the system. When the concentration of C dopant in the SnO2 supercell increases, the charge redistribution assigns extra electrons averagely to each dopant, and thus effectively modulates the magnetism. These findings provide an experimentally viable way for controlling the magnetism in these systems.

  9. Radiative charge transfer lifetime of the excited state of (NaCa)$^+$

    CERN Document Server

    Makarov, O P; Michels, H J; Smith, W W; Makarov, Oleg P.

    2003-01-01

    New experiments were proposed recently to investigate the regime of cold atomic and molecular ion-atom collision processes in a special hybrid neutral-atom--ion trap under high vacuum conditions. The collisional cooling of laser pre-cooled Ca$^+$ ions by ultracold Na atoms is being studied. Modeling this process requires knowledge of the radiative lifetime of the excited singlet A$^1\\Sigma^+$ state of the (NaCa)$^+$ molecular system. We calculate the rate coefficient for radiative charge transfer using a semiclassical approach. The dipole radial matrix elements between the ground and the excited states, and the potential curves were calculated using Complete Active Space Self-Consistent field and M\\"oller-Plesset second order perturbation theory (CASSCF/MP2) with an extended Gaussian basis, 6-311+G(3df). The semiclassical charge transfer rate coefficient was averaged over a thermal Maxwellian distribution. In addition we also present elastic collision cross sections and the spin-exchange cross section. The ra...

  10. A multi-state fragment charge difference approach for diabatic states in electron transfer: extension and automation.

    Science.gov (United States)

    Yang, Chou-Hsun; Hsu, Chao-Ping

    2013-10-21

    The electron transfer (ET) rate prediction requires the electronic coupling values. The Generalized Mulliken-Hush (GMH) and Fragment Charge Difference (FCD) schemes have been useful approaches to calculate ET coupling from an excited state calculation. In their typical form, both methods use two eigenstates in forming the target charge-localized diabatic states. For problems involve three or four states, a direct generalization is possible, but it is necessary to pick and assign the locally excited or charge-transfer states involved. In this work, we generalize the 3-state scheme for a multi-state FCD without the need of manual pick or assignment for the states. In this scheme, the diabatic states are obtained separately in the charge-transfer or neutral excited subspaces, defined by their eigenvalues in the fragment charge-difference matrix. In each subspace, the Hamiltonians are diagonalized, and there exist off-diagonal Hamiltonian matrix elements between different subspaces, particularly the charge-transfer and neutral excited diabatic states. The ET coupling values are obtained as the corresponding off-diagonal Hamiltonian matrix elements. A similar multi-state GMH scheme can also be developed. We test the new multi-state schemes for the performance in systems that have been studied using more than two states with FCD or GMH. We found that the multi-state approach yields much better charge-localized states in these systems. We further test for the dependence on the number of state included in the calculation of ET couplings. The final coupling values are converged when the number of state included is increased. In one system where experimental value is available, the multi-state FCD coupling value agrees better with the previous experimental result. We found that the multi-state GMH and FCD are useful when the original two-state approach fails.

  11. A multi-state fragment charge difference approach for diabatic states in electron transfer: Extension and automation

    Science.gov (United States)

    Yang, Chou-Hsun; Hsu, Chao-Ping

    2013-10-01

    The electron transfer (ET) rate prediction requires the electronic coupling values. The Generalized Mulliken-Hush (GMH) and Fragment Charge Difference (FCD) schemes have been useful approaches to calculate ET coupling from an excited state calculation. In their typical form, both methods use two eigenstates in forming the target charge-localized diabatic states. For problems involve three or four states, a direct generalization is possible, but it is necessary to pick and assign the locally excited or charge-transfer states involved. In this work, we generalize the 3-state scheme for a multi-state FCD without the need of manual pick or assignment for the states. In this scheme, the diabatic states are obtained separately in the charge-transfer or neutral excited subspaces, defined by their eigenvalues in the fragment charge-difference matrix. In each subspace, the Hamiltonians are diagonalized, and there exist off-diagonal Hamiltonian matrix elements between different subspaces, particularly the charge-transfer and neutral excited diabatic states. The ET coupling values are obtained as the corresponding off-diagonal Hamiltonian matrix elements. A similar multi-state GMH scheme can also be developed. We test the new multi-state schemes for the performance in systems that have been studied using more than two states with FCD or GMH. We found that the multi-state approach yields much better charge-localized states in these systems. We further test for the dependence on the number of state included in the calculation of ET couplings. The final coupling values are converged when the number of state included is increased. In one system where experimental value is available, the multi-state FCD coupling value agrees better with the previous experimental result. We found that the multi-state GMH and FCD are useful when the original two-state approach fails.

  12. Charge state studies of low energy heavy ions passing through hydrogen and helium gas

    CERN Document Server

    Liu, W; Buchmann, L; Chen, A A; D'Auria, J M; D'Onofrio, A; Engel, S; Gialanella, L; Greife, U; Hunter, D; Hussein, A; Hutcheon, D A; Olin, A; Ottewell, D; Rogalla, D; Rogers, J; Romano, M; Roy, G; Terrasi, F

    2003-01-01

    Studies of the charge state distribution of low energy (<1.5 MeV/u), low Z (<13) heavy ions passing through hydrogen and helium gas of varying target pressure have been performed using separate windowless gas target systems at TRIUMF and the University of Naples. Semi-empirical relationships have been deduced to estimate the equilibrium charge state distributions as a function of beam energy. From these distributions, cross-sections for the relevant charge changing reactions have been deduced.

  13. Battery Management Systems: Accurate State-of-Charge Indication for Battery-Powered Applications

    NARCIS (Netherlands)

    Pop, V.; Bergveld, H.J.; Danilov, D.; Regtien, P.P.L.; Notten, P.H.L.

    2008-01-01

    Battery Management Systems – Universal State-of-Charge indication for portable applications describes the field of State-of-Charge (SoC) indication for rechargeable batteries. With the emergence of battery-powered devices with an increasing number of power-hungry features, accurately estimating the

  14. Quantum State Transfer between Charge and Flux Qubits in Circuit-QED

    Institute of Scientific and Technical Information of China (English)

    WU Qin-Qin; LIAO Jie-Qiao; KUANG Le-Man

    2008-01-01

    @@ We propose a scheme to implement quantum state transfer in a hybrid circuit quantum electrodynamics (QED)system which consists of a superconducting charge qubit, a flux qubit, and a transmission line resonator (TLR).It is shown that quantum state transfer between the charge qubit and the flux qubit can be realized by using the TLR as the data bus.

  15. Wigner Function:from Ensemble Average of Density Operator to Its Matrix Element in Entangled Pure States

    Institute of Scientific and Technical Information of China (English)

    FANHong-Yi

    2002-01-01

    We show that the Wigner function W=Tr(Δρ)( an ensemble average of the density operator ρ,Δis the Wigner operator) can be expressed as a matrix element of ρ in the entangled pure states.In doing so,converting from quantum master equations to time-evolution equation of the Wigner functions seems direct and concise,The entangled states are defined in the enlarged Fock space with a fictitious freedom.

  16. Inferring hidden states in Langevin dynamics on large networks: Average case performance

    Science.gov (United States)

    Bravi, B.; Opper, M.; Sollich, P.

    2017-01-01

    We present average performance results for dynamical inference problems in large networks, where a set of nodes is hidden while the time trajectories of the others are observed. Examples of this scenario can occur in signal transduction and gene regulation networks. We focus on the linear stochastic dynamics of continuous variables interacting via random Gaussian couplings of generic symmetry. We analyze the inference error, given by the variance of the posterior distribution over hidden paths, in the thermodynamic limit and as a function of the system parameters and the ratio α between the number of hidden and observed nodes. By applying Kalman filter recursions we find that the posterior dynamics is governed by an "effective" drift that incorporates the effect of the observations. We present two approaches for characterizing the posterior variance that allow us to tackle, respectively, equilibrium and nonequilibrium dynamics. The first appeals to Random Matrix Theory and reveals average spectral properties of the inference error and typical posterior relaxation times; the second is based on dynamical functionals and yields the inference error as the solution of an algebraic equation.

  17. Generalized HARQ Protocols with Delayed Channel State Information and Average Latency Constraints

    DEFF Research Database (Denmark)

    Trillingsgaard, Kasper Fløe; Popovski, Petar

    2017-01-01

    In many practical wireless systems, the signal-to-interference-and-noise ratio (SINR) that is applicable to a certain transmission, referred to as channel state information (CSI), can only be learned after the transmission has taken place and is thereby delayed (outdated). In such systems, hybrid...

  18. Recoil ion charge state distributions in low energy Ar{sup q+} {minus} Ar collisions

    Energy Technology Data Exchange (ETDEWEB)

    Vancura, J.; Marchetti, V.; Kostroun, V.O.

    1992-12-31

    We have measured the recoil ion charge state distributions in Ar{sup q+} -- Ar (8{le}q{le}16) collisions at 2.3 qkeV and 0.18qkeV by time of flight (TOF) spectroscopy. For Ar{sup 8-16+}, recoil ion charge states up to 6+ are clearly present, indicating that the 3p subshell in the target atom is being depleted, while for Ar{sup 10-16+}, there is evidence that target 3s electrons are also being removed. Comparison of the recoil ion charge state spectra at 2.3 and 0.18 qkeV shows that for a given projectile charge, there is very little dependence of the observed recoil target charge state distribution on projectile energy.

  19. Solid State Raman Materials Characterization for High Average Power 1.3 micrometer Laser Frequency Shift

    Science.gov (United States)

    1999-01-01

    reflectivity at 1067 rim wavelength. Solid state phototrop filter based on gallium -scandium- gadolinium garnet doped with chromium was used as a passive Q-switch... gadolinium tungstate, KGd(W0 4)2 exhibited efficient Raman properties . In spite of the fact that its Raman gain coefficient at 1064 nm (6 cm/GW) is twice less...studied by high- temperature Raman scattering (HTRS) technique. According to [1], the lattice cell of KGd(W04) 2 low - temperature modification is a base

  20. Charge fluctuations in a final state with QGP

    OpenAIRE

    Fialkowski, K.; Wit, R. de

    2001-01-01

    Charge fluctuations as a possible signal of quark - gluon plasma (QGP) were recently suggested. A short summary of comments presented on this subject is given and supplemented by a discussion of the coexistence of pions produced "directly" and through a QGP phase. Such a coexistence may obscure the expected plasma signal similarly to the effects considered in the comments mentioned above.

  1. Search for charged Higgs bosons using other final states

    CERN Document Server

    Sandoval Usme, Carlos; The ATLAS collaboration

    2014-01-01

    Three different searches for charged Higgs bosons with the ATLAS detector were presented. First, a search for a charged Higgs boson in t ¯t decays was presented, where one of the top quarks decays via t → H+b, followed by H+ → c ¯ s [1]. 95 % confidence level (CL) upper limits on B(t → bH+) varying between 5 % and 1 % for H+ masses between 90 GeV and 150 GeV, assuming B(H+ →c ¯ s) = 100% were presented. This was followed by the presentation of a search for charged Higgs bosons through the violation of lepton universality in t ¯t events, were signatures containing leptons (e/m) and/or a hadronically decaying t (thad) were used [2]. No significant deviation from the Standard Model predictions was observed. With the assumption that the branching fraction B(H+→tn ) is 100%, upper limits in the range 3.2% to 4.4% on the branching fraction B(t →bH+) for charged Higgs boson masses in the range 90−140 GeV were presented. Finally, a search for new particles in an extension to the Standard Model that ...

  2. Improved solid state electron-charge-storage device

    Science.gov (United States)

    Kuper, A. B.

    1970-01-01

    Storage device is applicable in memory systems and in high-resolution arrays for light-responsive image sensing. The device offers high yield in multiple arrays and allows charge release with light striking only the edge of a metal electrode.

  3. Evaluating Electronic Couplings for Excited State Charge Transfer Based on Maximum Occupation Method ΔSCF Quasi-Adiabatic States.

    Science.gov (United States)

    Liu, Junzi; Zhang, Yong; Bao, Peng; Yi, Yuanping

    2017-02-14

    Electronic couplings of charge-transfer states with the ground state and localized excited states at the donor/acceptor interface are crucial parameters for controlling the dynamics of exciton dissociation and charge recombination processes in organic solar cells. Here we propose a quasi-adiabatic state approach to evaluate electronic couplings through combining maximum occupation method (mom)-ΔSCF and state diabatization schemes. Compared with time-dependent density functional theory (TDDFT) using global hybrid functional, mom-ΔSCF is superior to estimate the excitation energies of charge-transfer states; moreover it can also provide good excited electronic state for property calculation. Our approach is hence reliable to evaluate electronic couplings for excited state electron transfer processes, which is demonstrated by calculations on a typical organic photovoltaic system, oligothiophene/perylenediimide complex.

  4. Droop-Control-Based State-of-Charge Balancing Method for Charging and Discharging Process in Autonomous DC Microgrids

    DEFF Research Database (Denmark)

    Lu, Xiaonan; Sun, Kai; Guerrero, Josep M.

    2014-01-01

    In this paper, a droop control based state-of-charge (SoC) balancing method in autonomous DC microgrids is proposed. Both charging and discharging process have been considered. In particular, in the charging process, the droop coefficient is set to be proportional to SoCn, and in the discharging...... process, the droop coefficient is set to be inversely proportional to SoCn. Since the injected/output power is in inverse-proportion to the droop coefficient, with the proposed method, the energy storage unit (ESU) with higher SoC absorbs less power in the charging process and delivers more power...... in the discharging process. Meanwhile, the ESU with lower SoC absorbs more power in the charging process and delivers less power in the discharging process. Eventually, the SoC and injected/output power in each ESU are equalized. The exponent n for SoC is employed to regulate the balancing speed of the So...

  5. Geometry of non-supersymmetric three-charge bound states

    Energy Technology Data Exchange (ETDEWEB)

    Gimon, Eric; Gimon, Eric G.; Levi, Thomas S.; Ross, Simon F.

    2007-05-14

    We study the smooth non-supersymmetric three-charge microstatesof Jejjala, Madden, Ross and Titchener using Kaluza-Klein reductions of the solutions to five and four dimensions. Our aim is to improve our understanding of the relation between these non-supersymmetric solutions and the well-studied supersymmetric cases. We find some surprising qualitative differences. In the five-dimensional description, the solution has orbifold fixed points which break supersymmetry locally, so the geometries cannot be thought of as made up of separate half-BPS centers. In the four-dimensional description, the two singularities in the geometry are connected by a conical singularity, which makes it impossible to treat them independently and assign unambiguous brane charges to these centers.

  6. Theory for charge states of energetic oxygen ions in the earth's radiation belts

    Science.gov (United States)

    Spjeldvik, W. N.; Fritz, T. A.

    1978-01-01

    Fluxes of geomagnetically trapped energetic oxygen ions have been studied in detail. Ion distributions in radial locations below the geostationary orbit, energy spectra between 1 keV and 100 MeV, and the distribution over charge states have been computed for equatorially mirroring ions. Both ionospheric and solar wind oxygen ion sources have been considered, and it is found that the charge state distributions in the interior of the radiation belts are largely independent of the charge state characteristics of the sources. In the MeV range, oxygen ions prove to be a more sensitive probe for radiation belt dynamics than helium ions and protons.

  7. Evidence of Delocalization in Charge-Transfer State Manifold for Donor:Acceptor Organic Photovoltaics.

    Science.gov (United States)

    Guan, Zhiqiang; Li, Ho-Wa; Zhang, Jinfeng; Cheng, Yuanhang; Yang, Qingdan; Lo, Ming-Fai; Ng, Tsz-Wai; Tsang, Sai-Wing; Lee, Chun-Sing

    2016-08-24

    How charge-transfer states (CTSs) assist charge separation of a Coulombically bound exciton in organic photovoltaics has been a hot topic. It is believed that the delocalization feature of a CTS plays a crucial role in the charge separation process. However, the delocalization of the "hot" and the "relaxed" CTSs is still under debate. Here, with a novel frequency dependent charge-modulated electroabsorption spectroscopy (CMEAS) technique, we elucidate clearly that both "hot" and "relaxed" CTSs are loosely bound and delocalized states. This is confirmed by comparing the CMEAS results of CTSs with those of localized polaron states. Our results reveal the role of CTS delocalization on charge separation and indicate that no substantial delocalization gradient exists in CTSs.

  8. Spatial profiles of electron density, electron temperature, average ionic charge, and EUV emission of laser-produced Sn plasmas for EUV lithography

    Science.gov (United States)

    Sato, Yuta; Tomita, Kentaro; Tsukiyama, Syoichi; Eguchi, Toshiaki; Uchino, Kiichiro; Kouge, Kouichiro; Tomuro, Hiroaki; Yanagida, Tatsuya; Wada, Yasunori; Kunishima, Masahito; Kodama, Takeshi; Mizoguchi, Hakaru

    2017-03-01

    Spatial profiles of the electron density (n e), electron temperature (T e), and average ionic charge (Z) of laser-produced Sn plasmas for EUV lithography, whose conversion efficiency (CE) is sufficiently high for practical use, were measured using a collective Thomson scattering (TS) technique. For plasma production, Sn droplets of 26 µm diameter were used as a fuel. First, a picosecond-pulsed laser was used to expand a Sn target. Next, a CO2 laser was used to generate plasmas. By changing the injection timing of the picosecond and CO2 lasers, three different types of plasmas were generated. The CEs of the three types of plasmas differed, and ranged from 2.8 to 4.0%. Regarding the different plasma conditions, the spatial profiles of n e, T e, and Z clearly differed. However, under all plasma conditions, intense EUV was only observed at a sufficiently high T e (> 25 eV) and in an adequate n e range [1024–(2 × 1025) m‑3]. These plasma parameters lie in the efficient-EUV light source range, as predicted by simulations.

  9. Wigner Function:from Ensemble Average of Density Operator to Its One Matrix Element in Entangled Pure States

    Institute of Scientific and Technical Information of China (English)

    FAN Hong-Yi

    2002-01-01

    We show that the Wigner function W = Tr(△ρ) (an ensemble average of the density operator ρ, △ is theWigner operator) can be expressed as a matrix element of ρ in the entangled pure states. In doing so, converting fromquantum master equations to time-evolution equation of the Wigner functions seems direct and concise. The entangledstates are defined in the enlarged Fock space with a fictitious freedom.

  10. Theoretical Study of the Charge-Transfer State Separation within Marcus Theory

    DEFF Research Database (Denmark)

    Volpi, Riccardo; Nassau, Racine; Nørby, Morten Steen

    2016-01-01

    We study, within Marcus theory, the possibility of the charge-transfer (CT) state splitting at organic interfaces and a subsequent transport of the free charge carriers to the electrodes. As a case study we analyze model anthracene-C60 interfaces. Kinetic Monte Carlo (KMC) simulations on the cold...

  11. Measuring the charge state of an adatom with noncontact atomic force microscopy

    NARCIS (Netherlands)

    Gross, L.; Mohn, F.; Liljeroth, P.; Repp, J.; Meyer, G.; Giessibl, F.J.

    2009-01-01

    Charge states of atoms can be investigated with scanning tunneling microscopy, but this method requires a conducting substrate. We investigated the charge-switching of individual adsorbed gold and silver atoms (adatoms) on ultrathin NaCl films on Cu(111) using a qPlus tuning fork atomic force micros

  12. Charge states and lattice sites of dilute implanted Sn in ZnO

    Science.gov (United States)

    Mølholt, T. E.; Gunnlaugsson, H. P.; Johnston, K.; Mantovan, R.; Röder, J.; Adoons, V.; Mokhles Gerami, A.; Masenda, H.; Matveyev, Y. A.; Ncube, M.; Unzueta, I.; Bharuth-Ram, K.; Gislason, H. P.; Krastev, P.; Langouche, G.; Naidoo, D.; Ólafsson, S.; Zenkevich, A.; ISOLDE Collaboration

    2017-04-01

    The common charge states of Sn are 2+  and 4+. While charge neutrality considerations favour 2+  to be the natural charge state of Sn in ZnO, there are several reports suggesting the 4+  state instead. In order to investigate the charge states, lattice sites, and the effect of the ion implantation process of dilute Sn atoms in ZnO, we have performed 119Sn emission Mössbauer spectroscopy on ZnO single crystal samples following ion implantation of radioactive 119In (T ½  =  2.4 min) at temperatures between 96 K and 762 K. Complementary perturbed angular correlation measurements on 111mCd implanted ZnO were also conducted. Our results show that the 2+  state is the natural charge state for Sn in defect free ZnO and that the 4+  charge state is stabilized by acceptor defects created in the implantation process.

  13. High ion charge states in a high-current, short-pulse, vacuum ARC ion sources

    Energy Technology Data Exchange (ETDEWEB)

    Anders, A.; Brown, I.; MacGill, R.; Dickinson, M. [Lawrence Berkeley National Lab., CA (United States)

    1996-08-01

    Ions of the cathode material are formed at vacuum arc cathode spots and extracted by a grid system. The ion charge states (typically 1-4) depend on the cathode material and only little on the discharge current as long as the current is low. Here the authors report on experiments with short pulses (several {mu}s) and high currents (several kA); this regime of operation is thus approaching a more vacuum spark-like regime. Mean ion charge states of up to 6.2 for tungsten and 3.7 for titanium have been measured, with the corresponding maximum charge states of up to 8+ and 6+, respectively. The results are discussed in terms of Saha calculations and freezing of the charge state distribution.

  14. Charge states of energetic solar particles. Die Ladungszustaende solarer energetischer Teilchen

    Energy Technology Data Exchange (ETDEWEB)

    Luhn, A.M.

    1985-01-01

    The dissertation deals with the measurement and interpretation of the charge state of energetic solar particles. Measurements of the C, N, O, Ne, Mg, Si, S and Fe ions were carried out with the ULEZEQ sensor on the ISEE-3 satellite. For the first time it was possible to determine the three parameters energy, atomic number and charge state of infalling ions separately and indepedent from each other.

  15. Recoil ion charge state distribution following the beta(sup +) decay of {sup 21}Na

    Energy Technology Data Exchange (ETDEWEB)

    Scielzo, Nicholas D.; Freedman, Stuart J.; Fujikawa, Brian K.; Vetter, Paul A.

    2003-01-03

    The charge state distribution following the positron decay of 21Na has been measured, with a larger than expected fraction of the daughter 21Ne in positive charge states. No dependence on either the positron or recoil nucleus energy is observed. The data is compared to a simple model based on the sudden approximation. Calculations suggest a small but important contribution from recoil ionization has important consequences for precision beta decay correlation experiments detecting recoil ions.

  16. ARCHITECTURE OF A CHARGE-TRANSFER STATE REGULATING LIGHT HARVESTING IN A PLANT ANTENNA PROTEIN

    Energy Technology Data Exchange (ETDEWEB)

    Fleming, Graham; Ahn, Tae Kyu; Avenson, Thomas J.; Ballottari, Matteo; Cheng, Yuan-Chung; Niyogi, Krishna K.; Bassi, Roberto; Fleming, Graham R.

    2008-04-02

    Energy-dependent quenching of excess absorbed light energy (qE) is a vital mechanism for regulating photosynthetic light harvesting in higher plants. All of the physiological characteristics of qE have been positively correlated with charge-transfer between coupled chlorophyll and zeaxanthin molecules in the light-harvesting antenna of photosystem II (PSII). In this work, we present evidence for charge-transfer quenching in all three of the individual minor antenna complexes of PSII (CP29, CP26, and CP24), and we conclude that charge-transfer quenching in CP29 involves a de-localized state of an excitonically coupled chlorophyll dimer. We propose that reversible conformational changes in CP29 can `tune? the electronic coupling between the chlorophylls in this dimer, thereby modulating the energy of the chlorophylls-zeaxanthin charge-transfer state and switching on and off the charge-transfer quenching during qE.

  17. Architecture of a charge-transfer state regulating light harvesting in a plant antenna protein.

    Science.gov (United States)

    Ahn, Tae Kyu; Avenson, Thomas J; Ballottari, Matteo; Cheng, Yuan-Chung; Niyogi, Krishna K; Bassi, Roberto; Fleming, Graham R

    2008-05-01

    Energy-dependent quenching of excess absorbed light energy (qE) is a vital mechanism for regulating photosynthetic light harvesting in higher plants. All of the physiological characteristics of qE have been positively correlated with charge transfer between coupled chlorophyll and zeaxanthin molecules in the light-harvesting antenna of photosystem II (PSII). We found evidence for charge-transfer quenching in all three of the individual minor antenna complexes of PSII (CP29, CP26, and CP24), and we conclude that charge-transfer quenching in CP29 involves a delocalized state of an excitonically coupled chlorophyll dimer. We propose that reversible conformational changes in CP29 can "tune" the electronic coupling between the chlorophylls in this dimer, thereby modulating the energy of the chlorophyll-zeaxanthin charge-transfer state and switching on and off the charge-transfer quenching during qE.

  18. Charge-state-dependent energy loss of slow ions. II. Statistical atom model

    Science.gov (United States)

    Wilhelm, Richard A.; Möller, Wolfhard

    2016-05-01

    A model for charge-dependent energy loss of slow ions is developed based on the Thomas-Fermi statistical model of atoms. Using a modified electrostatic potential which takes the ionic charge into account, nuclear and electronic energy transfers are calculated, the latter by an extension of the Firsov model. To evaluate the importance of multiple collisions even in nanometer-thick target materials we use the charge-state-dependent potentials in a Monte Carlo simulation in the binary collision approximation and compare the results to experiment. The Monte Carlo results reproduce the incident charge-state dependence of measured data well [see R. A. Wilhelm et al., Phys. Rev. A 93, 052708 (2016), 10.1103/PhysRevA.93.052708], even though the experimentally observed charge exchange dependence is not included in the model.

  19. Electroluminescence from charge transfer states in Donor/Acceptor solar cells

    DEFF Research Database (Denmark)

    Sherafatipour, Golenaz; Madsen, Morten

    charge transfer (CT) excitons, which is Coulombically bound interfacial electron- hole pairs residing at the donor/acceptor heterojunctions. The CT state represents an intermediate state between the exciton dissociation and recombination back to the ground state. Since the recombination of photo...... at the donor/acceptor interface is detected. As a less studied system, we examine here the interfacial charge transfer state recombination in DBP:C70 thin-films. The weak EL from the small molecule solar cell biased in the forward direction gives valuable information about the CT state recombination, from...... which the maximum open-circuit voltage can be estimated, and further can be used in the modeling and optimization of the OPV devices. [1] C. Deibe, T. Strobe, and V. Dyakonov, “Role of the charge transfer state in organic donor-acceptor solar cells,” Adv. Mater., vol. 22, pp. 4097–4111, 2010. [2] K...

  20. Stationary States in Saturated Two-Photon Processes and Generation of Phase-Averaged Mixtures of Even and Odd Quantum States

    CERN Document Server

    Dodonov, V V

    1998-01-01

    We consider a relaxation of a single mode of the quantized field in a presence of one- and two-photon absorption and emission processes. Exact stationary solutions of the master equation for the diagonal elements of the density matrix in the Fock basis are found in the case of completely saturated two-photon emission. If two-photon processes dominate over single-photon ones, the stationary state is a mixture of phase averaged even and odd coherent states.

  1. Processing and charge state engineering of MoOx

    Directory of Open Access Journals (Sweden)

    Aitana Tarazaga Martín-Luengo

    2017-01-01

    Full Text Available The effects of wet chemical processing employed in device fabrication standards are studied on molybdenum oxide (MoOx ultra-thin films. We have combined x-ray photoelectron spectroscopy (XPS, angle resolved XPS and x-ray reflectivity to gain insight into the changes in composition, structure and electronic states upon treatment of films with different initial stoichiometry prepared by reactive sputtering. Our results show significant reduction effects associated with the development of gap states in MoOx, as well as changes in the composition and structure of the films, systematically correlated with the initial oxidation state of Mo.

  2. Processing and charge state engineering of MoOx

    Science.gov (United States)

    Martín-Luengo, Aitana Tarazaga; Köstenbauer, Harald; Winkler, Jörg; Bonanni, Alberta

    2017-01-01

    The effects of wet chemical processing employed in device fabrication standards are studied on molybdenum oxide (MoOx) ultra-thin films. We have combined x-ray photoelectron spectroscopy (XPS), angle resolved XPS and x-ray reflectivity to gain insight into the changes in composition, structure and electronic states upon treatment of films with different initial stoichiometry prepared by reactive sputtering. Our results show significant reduction effects associated with the development of gap states in MoOx, as well as changes in the composition and structure of the films, systematically correlated with the initial oxidation state of Mo.

  3. Different electronic charges in two-component superconductor by coherent state

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Xuguang, E-mail: shixg@bjfu.edu.cn

    2015-07-17

    Recently, the different electronic charges, which are related to the different coupling constants with magnetic field, in the two-component superconductor have been studied in the frame of Ginzburg–Landau theory. In order to study the electronic charges in detail we suggest the wave function in the two-component superconductor to be in the coherent state. We find the different electronic charges exist not only in the coherent state but also in the incoherent state. But the ratio of the different charges in the coherent state is different from the ratio in the incoherence. The expressions of the coupling constants are given directly based on the coherence effects. We also discuss the winding number in such a system. - Highlights: • Suggest the wave function in two-component superconductor is coherent. • Interpret the existence of different electric charges by the coherent states. • Derive a new expression for the supercurrent. • Reveal the relation between different electric charges and winding number.

  4. Dalitz Plot Analysis Of Neutral B-meson Decays To Charged Kaon, Charged Pion, And Neutral Pion Final States

    CERN Document Server

    Yu, Z

    2005-01-01

    This thesis describes a Dalitz plot analysis of B0 → K+π−π 0 decays. The data sample comprises 213 million &Ugr;(4 S) → BB¯ decays collected with the BABAR detector at the PEP-II asymmetric-energy B Factory at the Stanford Linear Accelerator Center in California (SLAGC). Preliminary results are presented for measurements of the inclusive branching fraction, quasi-two-body fractions and CP-violating charge asymmetries for intermediate states including K*(892)+π − and ρ(770)−K +. Observations of B0 decays to the Kπ S-wave intermediate states, K*0 (1430)+π− and K*0 (1430)0π0, are reported. Evidence of the decay B0 → K*(892) 0π0 is seen. We set tipper limits at 90% confidence level on branching fractions of the nonresonant and other less significant intermediate states.

  5. Exceptionally Long-Lived Charge Separated State in Zeolitic Imidazolate Framework: Implication for Photocatalytic Applications.

    Science.gov (United States)

    Pattengale, Brian; Yang, Sizhuo; Ludwig, John; Huang, Zhuangqun; Zhang, Xiaoyi; Huang, Jier

    2016-07-01

    Zeolitic imidazolate frameworks (ZIFs) have emerged as a novel class of porous metal-organic frameworks (MOFs) for catalysis application because of their exceptional thermal and chemical stability. Inspired by the broad absorption of ZIF-67 in UV-vis-near IR region, we explored its excited state and charge separation dynamics, properties essential for photocatalytic applications, using optical (OTA) and X-ray transient absorption (XTA) spectroscopy. OTA results show that an exceptionally long-lived excited state is formed after photoexcitation. This long-lived excited state was confirmed to be the charge-separated (CS) state with ligand-to-metal charge-transfer character using XTA. The surprisingly long-lived CS state, together with its intrinsic hybrid nature, all point to its potential application in heterogeneous photocatalysis and energy conversion.

  6. Excluded volume effect of counterions and water dipoles near a highly charged surface due to a rotationally averaged Boltzmann factor for water dipoles.

    Science.gov (United States)

    Gongadze, Ekaterina; Iglič, Aleš

    2013-03-01

    Water ordering near a negatively charged electrode is one of the decisive factors determining the interactions of an electrode with the surrounding electrolyte solution or tissue. In this work, the generalized Langevin-Bikerman model (Gongadze-Iglič model) taking into account the cavity field and the excluded volume principle is used to calculate the space dependency of ions and water number densities in the vicinity of a highly charged surface. It is shown that for high enough surface charged densities the usual trend of increasing counterion number density towards the charged surface may be completely reversed, i.e. the drop in the counterions number density near the charged surface is predicted.

  7. Constructing diabatic states from adiabatic states: extending generalized Mulliken-Hush to multiple charge centers with boys localization.

    Science.gov (United States)

    Subotnik, Joseph E; Yeganeh, Sina; Cave, Robert J; Ratner, Mark A

    2008-12-28

    This article shows that, although Boys localization is usually applied to single-electron orbitals, the Boys method itself can be applied to many electron molecular states. For the two-state charge-transfer problem, we show analytically that Boys localization yields the same charge-localized diabatic states as those found by generalized Mulliken-Hush theory. We suggest that for future work in electron transfer, where systems have more than two charge centers, one may benefit by using a variant of Boys localization to construct diabatic potential energy surfaces and extract electronic coupling matrix elements. We discuss two chemical examples of Boys localization and propose a generalization of the Boys algorithm for creating diabatic states with localized spin density that should be useful for Dexter triplet-triplet energy transfer.

  8. Constructing diabatic states from adiabatic states: Extending generalized Mulliken-Hush to multiple charge centers with Boys localization

    Science.gov (United States)

    Subotnik, Joseph E.; Yeganeh, Sina; Cave, Robert J.; Ratner, Mark A.

    2008-12-01

    This article shows that, although Boys localization is usually applied to single-electron orbitals, the Boys method itself can be applied to many electron molecular states. For the two-state charge-transfer problem, we show analytically that Boys localization yields the same charge-localized diabatic states as those found by generalized Mulliken-Hush theory. We suggest that for future work in electron transfer, where systems have more than two charge centers, one may benefit by using a variant of Boys localization to construct diabatic potential energy surfaces and extract electronic coupling matrix elements. We discuss two chemical examples of Boys localization and propose a generalization of the Boys algorithm for creating diabatic states with localized spin density that should be useful for Dexter triplet-triplet energy transfer.

  9. Average Oscillator Strength Per State of a one-dimensional disordered Frenkel exciton system in the Coherent Potential Approximation

    Science.gov (United States)

    Boukahil, Abdelkrim; Siemann, Robert; Huber, David

    2013-03-01

    We report the results of studies of the low energy side of the Average Oscillator Strength Per State f (E) = F (E) / ρ (E) , where F (E) is the line shape function and ρ (E) is the density of states function of one dimensional Frenkel excitons in the Coherent Potential Approximation (CPA). A Gaussian distribution of the transition frequencies with rms width σ (0 . 07 <= σ <= 0 . 4) is used. Our CPA theory predicts that on the low energy side of the peak the tails are short and independent of the disorder parameter σ implying a behavior consistent with the Urbach rule. Our CPA results are in excellent agreement with previous investigations. AB acknowledge support from the college of L&S.

  10. Charge pump DC-DC converter comprising solid state batteries

    NARCIS (Netherlands)

    Reefman, D.; Roozeboom, F.; Notten, P.H.L.; Klootwijk, J.H.

    2013-01-01

    An electronic device is provided which comprises a DC-DC converter. The DC-DC converter comprises at least one solid-state rechargeable battery (B1, B2) for storing energy for the DC-DC conversion and an output capacitor (C2).

  11. Bound state potential energy surface construction: ab initio zero-point energies and vibrationally averaged rotational constants.

    Science.gov (United States)

    Bettens, Ryan P A

    2003-01-15

    Collins' method of interpolating a potential energy surface (PES) from quantum chemical calculations for reactive systems (Jordan, M. J. T.; Thompson, K. C.; Collins, M. A. J. Chem. Phys. 1995, 102, 5647. Thompson, K. C.; Jordan, M. J. T.; Collins, M. A. J. Chem. Phys. 1998, 108, 8302. Bettens, R. P. A.; Collins, M. A. J. Chem. Phys. 1999, 111, 816) has been applied to a bound state problem. The interpolation method has been combined for the first time with quantum diffusion Monte Carlo calculations to obtain an accurate ground state zero-point energy, the vibrationally average rotational constants, and the vibrationally averaged internal coordinates. In particular, the system studied was fluoromethane using a composite method approximating the QCISD(T)/6-311++G(2df,2p) level of theory. The approach adopted in this work (a) is fully automated, (b) is fully ab initio, (c) includes all nine nuclear degrees of freedom, (d) requires no assumption of the functional form of the PES, (e) possesses the full symmetry of the system, (f) does not involve fitting any parameters of any kind, and (g) is generally applicable to any system amenable to quantum chemical calculations and Collins' interpolation method. The calculated zero-point energy agrees to within 0.2% of its current best estimate. A0 and B0 are within 0.9 and 0.3%, respectively, of experiment.

  12. Characterization of Final State Interaction Strength in Plastic Scintillator by Muon-Neutrino Charged Current Charged Pion Production

    Energy Technology Data Exchange (ETDEWEB)

    Eberly, Brandon M. [Univ. of Pittsburgh, PA (United States)

    2014-01-01

    Precise knowledge of neutrino-nucleus interactions is increasingly important as neutrino oscillation measurements transition into the systematics-limited era. In addition to modifying the initial interaction, the nuclear medium can scatter and absorb the interaction by-products through final state interactions, changing the types and kinematic distributions of particles seen by the detector. Recent neutrino pion production data from MiniBooNE is inconsistent with the final state interaction strength predicted by models and theoretical calculations, and some models fit best to the MiniBooNE data only after removing final state interactions entirely. This thesis presents a measurement of dσ/dTπ and dσ/dθπ for muon-neutrino charged current charged pion production in the MINER A scintillator tracker. MINER A is a neutrino-nucleus scattering experiment installed in the few-GeV NuMI beam line at Fermilab. The analysis is limited to neutrino energies between 1.5-10 GeV. Dependence on invariant hadronic mass W is studied through two versions of the analysis that impose the limits W < 1.4 GeV and W < 1.8 GeV. The lower limit on W increases compatibility with the MiniBooNE pion data. The shapes of the differential cross sections, which depend strongly on the nature of final state interactions, are compared to Monte Carlo and theoretical predictions. It is shown that the measurements presented in this thesis favor models that contain final state interactions. Additionally, a variety of neutrino-nucleus interaction models are shown to successfully reproduce the thesis measurements, while simultaneously failing to describe the shape of the MiniBooNE data.

  13. Charge-state distribution and Doppler effect in an expanding photoionized plasma.

    Science.gov (United States)

    Foord, M E; Heeter, R F; van Hoof, P A M; Thoe, R S; Bailey, J E; Cuneo, M E; Chung, H-K; Liedahl, D A; Fournier, K B; Chandler, G A; Jonauskas, V; Kisielius, R; Mix, L P; Ramsbottom, C; Springer, P T; Keenan, F P; Rose, S J; Goldstein, W H

    2004-07-30

    The charge state distributions of Fe, Na, and F are determined in a photoionized laboratory plasma using high resolution x-ray spectroscopy. Independent measurements of the density and radiation flux indicate unprecedented values for the ionization parameter xi=20-25 erg cm s(-1) under near steady-state conditions. Line opacities are well fitted by a curve-of-growth analysis which includes the effects of velocity gradients in a one-dimensional expanding plasma. First comparisons of the measured charge state distributions with x-ray photoionization models show reasonable agreement.

  14. Controllable Quantum State Transfer Between a Josephson Charge Qubit and an Electronic Spin Ensemble

    Science.gov (United States)

    Yan, Run-Ying; Wang, Hong-Ling; Feng, Zhi-Bo

    2016-01-01

    We propose a theoretical scheme to implement controllable quantum state transfer between a superconducting charge qubit and an electronic spin ensemble of nitrogen-vacancy centers. By an electro-mechanical resonator acting as a quantum data bus, an effective interaction between the charge qubit and the spin ensemble can be achieved in the dispersive regime, by which state transfers are switchable due to the adjustable electrical coupling. With the accessible experimental parameters, we further numerically analyze the feasibility and robustness. The present scheme could provide a potential approach for transferring quantum states controllably with the hybrid system.

  15. Continuum-state selectivity in hydrogen in Stark fields by charge-shape tuning

    Energy Technology Data Exchange (ETDEWEB)

    Ying, Y.; Nayfeh, M.H.

    1987-02-15

    We present numerical calculations of the photoionization of atomic hydrogen in the presence of a strong dc electric field, using three-photon excitation with two-photon resonance with intermediate Stark states. The systematics of the dependence of the cross section on the intermediate Stark states is calculated for the n = 2 to n = 9 manifolds. Our results indicate that one can use ''charge-shape tuning'' to selectively excite and enhance Stark-induced giant dipoles near E = 0 in hydrogen without the excitation of the overlapping continuum. Frequency selectivity can be used to excite from 1s (spherical charge) an intermediate whose charge is focused along the field followed by another excitation to the giant dipoles. Charge tunability can be achieved by controlling the degree of focusing by choice of the field and intermediates.

  16. Small-signal charge transfer inefficiency experiments explained by the McWhorter interface state model

    NARCIS (Netherlands)

    Penning De Vries, René G.M.; Wallinga, Hans

    1984-01-01

    The small-signal charge transfer inefficiency (SCTI) of a surface-channel CCD has been studied. The experimentally observed behavior of the SCTI could not be explained by the conventional interface state model. Using the McWhorter model for the interface states, which assumes a distribution of the s

  17. Detection and control of charge states in a quintuple quantum dot

    Science.gov (United States)

    Ito, Takumi; Otsuka, Tomohiro; Amaha, Shinichi; Delbecq, Matthieu R.; Nakajima, Takashi; Yoneda, Jun; Takeda, Kenta; Allison, Giles; Noiri, Akito; Kawasaki, Kento; Tarucha, Seigo

    2016-12-01

    A semiconductor quintuple quantum dot with two charge sensors and an additional contact to the center dot from an electron reservoir is fabricated to demonstrate the concept of scalable architecture. This design enables formation of the five dots as confirmed by measurements of the charge states of the three nearest dots to the respective charge sensor. The gate performance of the measured stability diagram is well reproduced by a capacitance model. These results provide an important step towards realizing controllable large scale multiple quantum dot systems.

  18. Topics in quantum transport of charge and heat in solid state systems

    Science.gov (United States)

    Choi, Yunjin

    In the thesis, we present a series of investigations for quantum transport of charge and heat in solid state systems. The first topic of the thesis focuses on the fundamental quantum problems which can be studied with electron transport along with the correlations of detectors to measure physical properties. We theoretically describe a generalized ``which-path'' measurement using a pair of coupled electronic Mach-Zehnder Interferometers. In the second topic of thesis, we investigate an operational approach to measure the tunneling time based on the Larmor clock. To handle the cases of indirect measurement from the first and second topics, we introduce the contextual values formalism. The form of the contextual values provides direct physical insight into the measurement being performed, providing information about the correlation strength between system and detector, the measurement inefficiency, the proper background removal, and the conditioned average value of the system operator. Additionally, the weak interaction limit of these conditioned averages produces weak values of the system operator and an additional detector dependent disturbance term for both cases. In our treatment of the third topic of the thesis, we propose a three terminal heat engine based on semiconductor superlattices for energy harvesting. The periodicity of the superlattice structure creates an energy miniband, giving an energy window to allow electron transport. We find that this device delivers a large amount of power, nearly twice that produced by the heat engine based on quantum wells, with a small reduction of efficiency. This engine also works as a refrigerator in a different regime of the system's parameters. The thermoelectric performance of the refrigerator is analyzed, including the cooling power and coefficient of performance in the optimized condition. We also calculate phonon heat current through the system and explore the reduction of phonon heat current compared to the bulk

  19. Topological charges in 2d N=(2,2) theories and massive BPS states

    CERN Document Server

    Park, Daniel S

    2015-01-01

    We study how charges of global symmetries that are manifest in the ultra-violet definition of a theory are realized as topological charges in its infra-red effective theory for two-dimensional theories with $\\mathcal{N}=(2,2)$ supersymmetry. We focus on the charges that the states living on $S^1$ carry. The central charge---or BPS masses---of the supersymmetry algebra play a crucial role in making this correspondence precise. We study two examples: $U(1)$ gauge theories with chiral matter, and world-volume theories of "dynamical surface operators" of 4d $\\mathcal{N}=2$ gauge theories. In the former example, we show that the flavor charges of the theory are realized as topological winding numbers in the effective theory on the Coulomb branch. In the latter, we show that there is a one-to-one correspondence between topological charges of the effective theory of the dynamical surface operator and the electric, magnetic, and flavor charges of the 4d gauge theory. We also examine the topologically charged massive ...

  20. Performance characteristics of a battery charger and state-of-charge indicator

    Science.gov (United States)

    Edwards, D.; Klein, J.

    1984-01-01

    A battery charge/state of charge indicator (BC/SCI) system for electric vehicle use was developed. The original and subsequent objectives for the BC/SCI and the rationale for those objectives are described. The requirements generated from the objectives are listed and a description of the BC/SCI is provided. The power section problem, the tests, and the test results are discussed.

  1. Cathode material comparison of thermal runaway behavior of Li-ion cells at different state of charges including over charge

    Science.gov (United States)

    Mendoza-Hernandez, Omar Samuel; Ishikawa, Hiroaki; Nishikawa, Yuuki; Maruyama, Yuki; Umeda, Minoru

    2015-04-01

    The analysis of Li-ion secondary cells under outstanding conditions, as overcharge and high temperatures, is important to determine thermal abuse characteristics of electroactive materials and precise risk assessments on Li-ion cells. In this work, the thermal runaway behavior of LiCoO2 and LiMn2O4 cathode materials were compared at different state of charges (SOCs), including overcharge, by carrying out accelerating rate calorimetry (ARC) measurements using 18650 Li-ion cells. Onset temperatures of self-heating reactions and thermal runaway behavior were identified, and by using these onset points thermal mapping plots were made. We were able to identify non-self-heating, self-heating and thermal runaway regions as a function of state of charge and temperature. The cell using LiMn2O4 cathode material was found to be more thermally stable than the cell using LiCoO2. In parallel with the ARC measurements, the electrochemical behavior of the cells was monitored by measuring the OCV and internal resistance of the cells. The electrochemical behavior of the cells showed a slightly dependency on SOC.

  2. A vacuum spark ion source: High charge state metal ion beams

    Science.gov (United States)

    Yushkov, G. Yu.; Nikolaev, A. G.; Oks, E. M.; Frolova, V. P.

    2016-02-01

    High ion charge state is often important in ion beam physics, among other reasons for the very practical purpose that it leads to proportionately higher ion beam energy for fixed accelerating voltage. The ion charge state of metal ion beams can be increased by replacing a vacuum arc ion source by a vacuum spark ion source. Since the voltage between anode and cathode remains high in a spark discharge compared to the vacuum arc, higher metal ion charge states are generated which can then be extracted as an ion beam. The use of a spark of pulse duration less than 10 μs and with current up to 10 kA allows the production of ion beams with current of several amperes at a pulse repetition rate of up to 5 pps. We have demonstrated the formation of high charge state heavy ions (bismuth) of up to 15 + and a mean ion charge state of more than 10 +. The physics and techniques of our vacuum spark ion source are described.

  3. Modulation of nitrogen vacancy charge state and fluorescence in nanodiamonds using electrochemical potential

    Science.gov (United States)

    Karaveli, Sinan; Gaathon, Ophir; Wolcott, Abraham; Sakakibara, Reyu; Shemesh, Or A.; Peterka, Darcy S.; Boyden, Edward S.; Owen, Jonathan S.; Yuste, Rafael; Englund, Dirk

    2016-04-01

    The negatively charged nitrogen vacancy (NV-) center in diamond has attracted strong interest for a wide range of sensing and quantum information processing applications. To this end, recent work has focused on controlling the NV charge state, whose stability strongly depends on its electrostatic environment. Here, we demonstrate that the charge state and fluorescence dynamics of single NV centers in nanodiamonds with different surface terminations can be controlled by an externally applied potential difference in an electrochemical cell. The voltage dependence of the NV charge state can be used to stabilize the NV- state for spin-based sensing protocols and provides a method of charge state-dependent fluorescence sensing of electrochemical potentials. We detect clear NV fluorescence modulation for voltage changes down to 100 mV, with a single NV and down to 20 mV with multiple NV centers in a wide-field imaging mode. These results suggest that NV centers in nanodiamonds could enable parallel optical detection of biologically relevant electrochemical potentials.

  4. Modulation of nitrogen vacancy charge state and fluorescence in nanodiamonds using electrochemical potential.

    Science.gov (United States)

    Karaveli, Sinan; Gaathon, Ophir; Wolcott, Abraham; Sakakibara, Reyu; Shemesh, Or A; Peterka, Darcy S; Boyden, Edward S; Owen, Jonathan S; Yuste, Rafael; Englund, Dirk

    2016-04-12

    The negatively charged nitrogen vacancy (NV(-)) center in diamond has attracted strong interest for a wide range of sensing and quantum information processing applications. To this end, recent work has focused on controlling the NV charge state, whose stability strongly depends on its electrostatic environment. Here, we demonstrate that the charge state and fluorescence dynamics of single NV centers in nanodiamonds with different surface terminations can be controlled by an externally applied potential difference in an electrochemical cell. The voltage dependence of the NV charge state can be used to stabilize the NV(-) state for spin-based sensing protocols and provides a method of charge state-dependent fluorescence sensing of electrochemical potentials. We detect clear NV fluorescence modulation for voltage changes down to 100 mV, with a single NV and down to 20 mV with multiple NV centers in a wide-field imaging mode. These results suggest that NV centers in nanodiamonds could enable parallel optical detection of biologically relevant electrochemical potentials.

  5. A vacuum spark ion source: High charge state metal ion beams

    Energy Technology Data Exchange (ETDEWEB)

    Yushkov, G. Yu., E-mail: gyushkov@mail.ru; Nikolaev, A. G.; Frolova, V. P. [High Current Electronics Institute, Siberian Branch of the Russian Academy of Science, Tomsk 634055 (Russian Federation); Oks, E. M. [High Current Electronics Institute, Siberian Branch of the Russian Academy of Science, Tomsk 634055 (Russian Federation); Tomsk State University of Control System and Radioelectronics, Tomsk 634050 (Russian Federation)

    2016-02-15

    High ion charge state is often important in ion beam physics, among other reasons for the very practical purpose that it leads to proportionately higher ion beam energy for fixed accelerating voltage. The ion charge state of metal ion beams can be increased by replacing a vacuum arc ion source by a vacuum spark ion source. Since the voltage between anode and cathode remains high in a spark discharge compared to the vacuum arc, higher metal ion charge states are generated which can then be extracted as an ion beam. The use of a spark of pulse duration less than 10 μs and with current up to 10 kA allows the production of ion beams with current of several amperes at a pulse repetition rate of up to 5 pps. We have demonstrated the formation of high charge state heavy ions (bismuth) of up to 15 + and a mean ion charge state of more than 10 +. The physics and techniques of our vacuum spark ion source are described.

  6. Defect charge states in Si doped hexagonal boron-nitride monolayer.

    Science.gov (United States)

    Mapasha, R E; Molepo, M P; Andrew, R C; Chetty, N

    2016-02-10

    We perform ab initio density functional theory calculations to investigate the energetics, electronic and magnetic properties of isolated stoichiometric and non-stoichiometric substitutional Si complexes in a hexagonal boron-nitride monolayer. The Si impurity atoms substituting the boron atom sites SiB giving non-stoichiometric complexes are found to be the most energetically favourable, and are half-metallic and order ferromagnetically in the neutral charge state. We find that the magnetic moments and magnetization energies increase monotonically when Si defects form a cluster. Partial density of states and standard Mulliken population analysis indicate that the half-metallic character and magnetic moments mainly arise from the Si 3p impurity states. The stoichiometric Si complexes are energetically unfavorable and non-magnetic. When charging the energetically favourable non-stoichiometric Si complexes, we find that the formation energies strongly depend on the impurity charge states and Fermi level position. We also find that the magnetic moments and orderings are tunable by charge state modulation q  =  -2, -1, 0, +1, +2. The induced half-metallic character is lost (retained) when charging isolated (clustered) Si defect(s). This underlines the potential of a Si doped hexagonal boron-nitride monolayer for novel spin-based applications.

  7. Average values and racial differences of neutrophil lymphocyte ratio among a nationally representative sample of United States subjects.

    Directory of Open Access Journals (Sweden)

    Basem Azab

    Full Text Available Several studies reported the negative impact of elevated neutrophil/lymphocyte ratio (NLR on outcomes in many surgical and medical conditions. Previous studies used arbitrary NLR cut-off points according to the average of the populations under study. There is no data on the average NLR in the general population. The aim of this study is to explore the average values of NLR and according to race in adult non-institutional United States individuals by using national data.The National Health and Nutrition Examination Survey (NHANES of aggregated cross-sectional data collected from 2007 to 2010 was analyzed; data extracted included markers of systemic inflammation (neutrophil count, lymphocyte count, and NLR, demographic variables and other comorbidities. Subjects who were prescribed steroids, chemotherapy, immunomodulators and antibiotics were excluded. Adjusted linear regression models were used to examine the association between demographic and clinical characteristics and neutrophil counts, lymphocyte counts, and NLR.Overall 9427 subjects are included in this study. The average value of neutrophils is 4.3 k cells/mL, of lymphocytes 2.1k cells/mL; the average NLR is 2.15. Non-Hispanic Black and Hispanic participants have significantly lower mean NLR values (1.76, 95% CI 1.71-1.81 and 2.08, 95% CI 2.04-2.12 respectively when compared to non-Hispanic Whites (2.24, 95% CI 2.19-2.28-p<0.0001. Subjects who reported diabetes, cardiovascular disease, and smoking had significantly higher NLR than subjects who did not. Racial differences regarding the association of smoking and BMI with NLR were observed.This study is providing preliminary data on racial disparities in a marker of inflammation, NLR, that has been associated with several chronic diseases outcome, suggesting that different cut-off points should be set according to race. It also suggests that racial differences exist in the inflammatory response to environmental and behavioral risk factors.

  8. Time average neutralized migma: A colliding beam/plasma hybrid physical state as aneutronic energy source — A review

    Science.gov (United States)

    Maglich, Bogdan C.

    1988-08-01

    A D + beam of kinetic energy Ti = 0.7 MeV was stored in a "simple mirror" magnetic field as self-colliding orbits or migma and neutralized by ambient, oscillating electrons whose bounce frequencies were externally controlled. Space charge density was exceeded by an order of magnitude without instabilities. Three nondestructive diagnostic methods allowed measurements of ion orbit distribution, ion storage times, ion energy distribution, nuclear reaction rate, and reaction product spectrum. Migma formed a disc 20 cm in diameter and 0.5 cm thick. Its ion density was sharply peaked in the center; the ion-to-electron temperature ratio was TiTe ˜ 10 3; ion-electron temperature equilibrium was never reached. The volume average and central D + density were n = 3.2 × 10 9 cm -3 and nc = 3 × 10 10 cm -3 respectively, compared to the space charge limit density nsc = 4 × 10 8 cm -3. The energy confinement time was τc = 20-30 s, limited by the change exchange reactions with the residual gas in the vacuum (5 × 10 -9 Torr). The ion energy loss rate was 1.4 keV/s. None of the instabilities that were observed in mirrors at several orders of magnitude lower density occurred. The proton energy spectrum for dd + d → T + p + 4 MeV shows that dd collided at an average crossing angle of 160°. Evidence for exponential density buildup has also been observed. Relative to Migma III results and measured in terms of the product of ion energy E, density n, and confinement time τ, device performance was improved by a factor of 500. Using the central fast ion density, we obtained the triple product: Tnτ ≅ 4 × 10 14 keV s cm -3, which is greater than that of the best fusion devices. The luminosity (collision rate per unit cross section) was ˜ 10 29 cm -2s -1, with o.7 A ion current through the migma center. The stabilizing features of migma are: (1) large Larmor radius; (2) small canonical angular momentum; (3) short axial length z (disc shape); (4) nonadiabatic motions in r and z

  9. Quantum State Transmission in a Superconducting Charge Qubit-Atom Hybrid

    CERN Document Server

    Yu, Deshui; Hufnagel, Christoph; Kwek, Leong Chuan; Amico, Luigi; Dumke, Rainer

    2016-01-01

    Hybrids consisting of macroscopic superconducting circuits and microscopic components, such as atoms and spins, have the potential of transmitting an arbitrary state between different quantum species, leading to the prospective of high-speed operation and long-time storage of quantum information. Here we propose a novel hybrid structure, where a neutral-atom qubit directly interfaces with a superconducting charge qubit, to implement the qubit-state transmission. The highly-excited Rydberg atom located inside the gate capacitor strongly affects the behavior of Cooper pairs in the box while the atom in the ground state hardly interferes with the superconducting device. In addition, the DC Stark shift of the atomic states significantly depends on the charge-qubit states. By means of the standard spectroscopic techniques and sweeping the gate voltage bias, we show how to transfer an arbitrary quantum state from the superconducting device to the atom and vice versa.

  10. Quantum State Transmission in a Superconducting Charge Qubit-Atom Hybrid.

    Science.gov (United States)

    Yu, Deshui; Valado, María Martínez; Hufnagel, Christoph; Kwek, Leong Chuan; Amico, Luigi; Dumke, Rainer

    2016-12-06

    Hybrids consisting of macroscopic superconducting circuits and microscopic components, such as atoms and spins, have the potential of transmitting an arbitrary state between different quantum species, leading to the prospective of high-speed operation and long-time storage of quantum information. Here we propose a novel hybrid structure, where a neutral-atom qubit directly interfaces with a superconducting charge qubit, to implement the qubit-state transmission. The highly-excited Rydberg atom located inside the gate capacitor strongly affects the behavior of Cooper pairs in the box while the atom in the ground state hardly interferes with the superconducting device. In addition, the DC Stark shift of the atomic states significantly depends on the charge-qubit states. By means of the standard spectroscopic techniques and sweeping the gate voltage bias, we show how to transfer an arbitrary quantum state from the superconducting device to the atom and vice versa.

  11. Analytical gradients of the state-average complete active space self-consistent field method with density fitting

    Energy Technology Data Exchange (ETDEWEB)

    Delcey, Mickaël G. [Department of Chemistry – Ångström, The Theoretical Chemistry Programme, Uppsala University, P.O. Box 518, 751 20 Uppsala (Sweden); Pedersen, Thomas Bondo [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, 0315 Oslo (Norway); Aquilante, Francesco [Department of Chemistry – Ångström, The Theoretical Chemistry Programme, Uppsala University, P.O. Box 518, 751 20 Uppsala (Sweden); Dipartimento di chimica “G. Ciamician,” Università di Bologna, V. F. Selmi 2, 40126 Bologna (Italy); Lindh, Roland, E-mail: roland.lindh@kemi.uu.se [Department of Chemistry – Ångström, The Theoretical Chemistry Programme, Uppsala University, P.O. Box 518, 751 20 Uppsala (Sweden); Uppsala Center for Computational Chemistry - UC_3, Uppsala University, P.O. Box 518, 751 20 Uppsala (Sweden)

    2015-07-28

    An efficient implementation of the state-averaged complete active space self-consistent field (SA-CASSCF) gradients employing density fitting (DF) is presented. The DF allows a reduction both in scaling and prefactors of the different steps involved. The performance of the algorithm is demonstrated on a set of molecules ranging up to an iron-Heme b complex which with its 79 atoms and 811 basis functions is to our knowledge the largest SA-CASSCF gradient computed. For smaller systems where the conventional code could still be used as a reference, both the linear response calculation and the gradient formation showed a clear timing reduction and the overall cost of a geometry optimization is typically reduced by more than one order of magnitude while the accuracy loss is negligible.

  12. Charge state distribution analysis of Al and Pb ions from the laser ion source at IMP

    CERN Document Server

    Shan, Sha; Zhang-Min, Li; Xiao-Hong, Guo; Lun-Cai, Zhou; Guo-Zhu, Cai; Liang-ting, Sun; Xue-Zhen, Zhang; Huan-Yu, Zhao; Xi-Meng, Chen; Hong-Wei, Zhao

    2013-01-01

    A prototype laser ion source that could demonstrate the possibility of producing intense pulsed high charge state ion beams has been established with a commercial Nd:YAG laser (E max = 3 J, 1064 nm, 8-10 ns) to produce laser plasma for the research of Laser Ion Source (LIS). At the laser ion source test bench, high purity (99.998 %) aluminum and lead targets have been tested for laser plasma experiment. An Electrostatic Ion Analyzer (EIA) and Electron Multiply Tube (EMT) detector were used to analyze the charge state and energy distribution of the ions produced by the laser ion source. The maximum charge states of Al12+ and Pb7+ were achieved. The results will be presented and discussed in this paper.

  13. Charge Transfer and Triplet States in High Efficiency OPV Materials and Devices

    Science.gov (United States)

    Dyakonov, Vladimir

    2013-03-01

    The advantage of using polymers and molecules in electronic devices, such as light-emitting diodes (LED), field-effect transistors (FET) and, more recently, solar cells (SC) is justified by the unique combination of high device performance and processing of the semiconductors used. Power conversion efficiency of nanostructured polymer SC is in the range of 10% on lab scale, making them ready for up-scaling. Efficient charge carrier generation and recombination in SC are strongly related to dissociation of the primary singlet excitons. The dissociation (or charge transfer) process should be very efficient in photovoltaics. The mechanisms governing charge carrier generation, recombination and transport in SC based on the so-called bulk-heterojunctions, i.e. blends of two or more semiconductors with different electron affinities, appear to be very complex, as they imply the presence of the intermediate excited states, neutral and charged ones. Charge transfer states, or polaron pairs, are the intermediate states between free electrons/holes and strongly bound excitons. Interestingly, the mostly efficient OLEDs to date are based on the so-called triplet emitters, which utilize the triplet-triplet annihilation process. In SC, recent investigations indicated that on illumination of the device active layer, not only mobile charges but also triplet states were formed. With respect to triplets, it is unclear how these excited states are generated, via inter-system crossing or via back transfer of the electron from acceptor to donor. Triplet formation may be considered as charge carrier loss channel; however, the fusion of two triplets may lead to a formation of singlet excitons instead. In such case, a generation of charges by utilizing of the so far unused photons will be possible. The fundamental understanding of the processes involving the charge transfer and triplet states and their relation to nanoscale morphology and/or energetics of blends is essential for the

  14. Near-infrared-enhanced charge state conversion for low power optical nanoscopy with nitrogen vacancy center in diamond

    CERN Document Server

    Chen, Xiang-Dong; Shen, Ao; Dong, Yang; Dong, Chun-Hua; Guo, Guang-Can; Sun, Fang-Wen

    2016-01-01

    The near-infrared (NIR) optical pumped photophysics of nitrogen vacancy (NV) center in diamond was experimentally studied by considering both the charge state conversion and stimulated emission. We found that the NIR laser can help to highly enhance the charge state conversion rate, which can be applied to improve the performance of charge state depletion nanoscopy. Using a doughnut-shaped visible laser beam and a Gaussian-shaped NIR laser beam for charge state manipulation, we developed a low power charge state depletion nanoscopy for NV center. A spatial resolution of 14 nm was achieved with the depletion laser intensity approximately three orders lower than that used for the stimulated emission depletion nanoscopy with NV center. With high spatial resolution and low laser power, the nanoscopy can be used for nanoscale quantum sensing with NV center. And our study on the charge state conversion can help to further optimize the NV center spin state initialization and detection.

  15. Battery State-of-Charge and Parameter Estimation Algorithm Based on Kalman Filter

    DEFF Research Database (Denmark)

    Dragicevic, Tomislav; Sucic, Stjepan; Guerrero, Josep M.

    2013-01-01

    on operating conditions, momentary replenishment and a number of past charge/discharge cycles. A good indicator for the quality of overall customer service in any battery based application is the availability and reliability of these informations, as they point out important runtime variables...... such as the actual state of charge (SOC) and state of health (SOH). Therefore, a modern battery management systems (BMSs) should incorporate functions that accommodate real time tracking of these nonlinearities. For that purpose, Kalman filter based algorithms emerged as a convenient solution due to their ability...

  16. Conformal anisotropic relativistic charged fluid spheres with a linear equation of state

    Science.gov (United States)

    Esculpi, M.; Alomá, E.

    2010-06-01

    We obtain two new families of compact solutions for a spherically symmetric distribution of matter consisting of an electrically charged anisotropic fluid sphere joined to the Reissner-Nordstrom static solution through a zero pressure surface. The static inner region also admits a one parameter group of conformal motions. First, to study the effect of the anisotropy in the sense of the pressures of the charged fluid, besides assuming a linear equation of state to hold for the fluid, we consider the tangential pressure p ⊥ to be proportional to the radial pressure p r , the proportionality factor C measuring the grade of anisotropy. We analyze the resulting charge distribution and the features of the obtained family of solutions. These families of solutions reproduce for the value C=1, the conformal isotropic solution for quark stars, previously obtained by Mak and Harko. The second family of solutions is obtained assuming the electrical charge inside the sphere to be a known function of the radial coordinate. The allowed values of the parameters pertained to these solutions are constrained by the physical conditions imposed. We study the effect of anisotropy in the allowed compactness ratios and in the values of the charge. The Glazer’s pulsation equation for isotropic charged spheres is extended to the case of anisotropic and charged fluid spheres in order to study the behavior of the solutions under linear adiabatic radial oscillations. These solutions could model some stage of the evolution of strange quark matter fluid stars.

  17. Charge Transfer Dissociation (CTD) Mass Spectrometry of Peptide Cations: Study of Charge State Effects and Side-Chain Losses

    Science.gov (United States)

    Li, Pengfei; Jackson, Glen P.

    2017-01-01

    1+, 2+, and 3+ precursors of substance P and bradykinin were subjected to helium cation irradiation in a 3D ion trap mass spectrometer. Charge exchange with the helium cations produces a variety of fragment ions, the number and type of which are dependent on the charge state of the precursor ions. For 1+ peptide precursors, fragmentation is generally restricted to C-CO backbone bonds (a and x ions), whereas for 2+ and 3+ peptide precursors, all three backbone bonds (C-CO, C-N, and N-Cα) are cleaved. The type of backbone bond cleavage is indicative of possible dissociation channels involved in CTD process, including high-energy, kinetic-based, and ETD-like pathways. In addition to backbone cleavages, amino acid side-chain cleavages are observed in CTD, which are consistent with other high-energy and radical-mediated techniques. The unique dissociation pattern and supplementary information available from side-chain cleavages make CTD a potentially useful activation method for the structural study of gas-phase biomolecules.

  18. A novel approach to kinetic energy release distribution and charge state distribution measurements

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Kaidee [National Synchrotron Radiation Research Center, Hsinchu 30077, Taiwan (China)]. E-mail: lee@nsrrc.org.tw

    2005-06-15

    When a swarm of ions are accelerated by a pulsed electric field for a common duration before entering an electrostatically dispersive energy analyzer, they will be sorted according to their charge-to-mass ratio q/m. In other words, the apparent kinetic energy upon which an ion will be registered in an apparent 'energy' spectrum thus obtained is proportional to its q/m ratio. For ions of a fixed mass m, the apparent energy spectrum becomes a charge state distribution spectrum. For ions of a fixed charge q, the apparent energy spectrum becomes a mass spectrum. In essence, an energy analyzer becomes both a charge sorter and a mass spectrometer when operated in this mode. In addition, when applied to the detection of photofragment ions, this technique will be able to yield information on the kinetic energy release distribution of the underlying dissociation events.

  19. Charge transfer state in DBP:C70 organic solar cells

    DEFF Research Database (Denmark)

    Sherafatipour, Golenaz; Benduhn, Johannes; Spoltore, Donato

    -acceptor interface via delocalized charge-transfer (CT) states, which represents an intermediate state between the exciton dissociation and recombination back to the ground state. In this work we perform the electroluminescence (EL) created by bimolecular free career recombination and sensitive external quantum....... Electroluminescence from charge transfer states in polymer solar cells. J. Am. Chem. Soc. 131, 11819–11824 (2009)....... efficiency measurements (sEQE) in DBP:C70 based SCs as a less studied system in order to study the energy and effect of CT states on degradation of the devices2. The results from these measurements reveal valuable information about the loss mechanism during the aging experiment as well as the energy...

  20. Control of donor charge states with the tip of a scanning tunnelling microscope

    Energy Technology Data Exchange (ETDEWEB)

    Teichmann, K.; Wenderoth, M.; Loth, S.; Ulbrich, R.G. [IV. Physikalisches Institut, Georg-August-Universitaet Goettingen (Germany); Garlef, J.K.; Wijnheijmer, A.P.; Koenraad, P.M. [PSN, Eindhoven University of Technology (Netherlands)

    2009-07-01

    The functionality of nanoscale semiconductor devices crucially depends on details of the electrostatic potential landscape on the atomic scale and its microscopic response to external electric fields. We report here an investigation of charge state switching of buried single Si donors in 6.10{sup 18} cm{sup -3} n-doped GaAs with scanning tunnelling microscopy (STM) under UHV conditions at 5 K. The effect of tip induced band bending (TIBB) through the freshly cleaved (110)-surface was used to change the charge state of individual donors from neutral to positively charged and reverse. Scanning tunnelling spectroscopy (STS) revealed a ring like feature around each donor center. The ring radius depends on tip bias voltage. The charge state of each donor in the random arrangement of dopants was in most cases unambiguously fixed by the extension of the tip-induced space charge cloud, which was located under the tip and controlled by the applied voltage. For certain geometric configurations the system showed bi- (or multi-) stable behaviour, this lead to dynamic flickering of the ionization sequence.

  1. X-Ray Spectroscopy: An Experimental Technique to Measure Charge State Distribution Right at the Ion-Solid Interaction

    CERN Document Server

    Sharma, Prashant

    2015-01-01

    Charge state distributions of $^{56}$Fe and $^{58}$Ni projectile ions passing through thin carbon foils have been studied in the energy range of 1.44 - 2.69 MeV/u using a novel method from the x-ray spectroscopy technique. Interestingly the charge state distribution in the bulk show Lorentzian behavior instead of usual Gaussian distribution. Further, different parameters of charge state distribution like mean charge state, distribution width and asymmetric parameter are determined and compared with the empirical calculations and ETACHA predictions. It is found that the x-ray measurement technique is appropriate to determine the mean charge state right at the interaction zone or in the bulk. Interestingly, empirical formalism predicts much lower projectile mean charge states compare to x-ray measurements which clearly indicate multi-electron capture from the target surface. The ETACHA predictions and experimental results are found to be comparable for energies $\\geq$ 2 MeV/u.

  2. Explicit solvent DRF INDOs/CIS computations of charge transfer state energetics in a pyrenyldeoxyuridine nucleoside model.

    Science.gov (United States)

    Van Duijnen, Piet Th; Netzel, Thomas L

    2006-02-16

    In this work we present calculated absorption and emission spectra in acetonitrile (MeCN) solution of N-acetyl-1-aminopyrene (PAAc, a spectroscopic model compound) and N-(1-pyrenyl)-1-methyluracil-5-carboxamide (PAU(Me), a computational model for 5-(N-carboxyl-1-aminopyrenyl)-2'-deoxyuridine (PAdU)). The computational method used--the discrete reaction field approach (DRF)--combines a quantum mechanical (QM) description of the solute (here DFT and INDOs/CIS, i.e., the INDO parametrization for spectroscopy) with a classical, molecular mechanics (MM) description of the solvent molecules. The latter are modeled with point charges representing the permanent charge distribution and polarizabilities to account for many-body interactions among the solute and other solvent molecules. Molecular dynamics is used to sample the degrees of freedom of the solution around several solute conformations each in two electronic excited states. This leads to a large number of solute/solvent configurations from which 800 are selected for each excited state and collected into a single ensemble by means of proper Boltzmann averaging. DRF INDOs/CIS applied to the selected solute/solvent configurations give simulated absorption and emission band spectra--each based on 15,200 calculated transitions--that compare well with experimental results. For example, the much broader absorption and emission bands in PAdU compared with PAAc are reproduced, and the simulated emission spectra of PAU(Me) agree well with broad (380-550 nm) charge transfer (CT) emission seen for PAdU in MeCN. The observed multiexponential fluorescence decay profiles for PAdU in different polar solvents are interpreted in terms of solute/solvent conformational heterogeneity here generated in the MD simulations for PAU(Me) in MeCN. Additionally, the simulations demonstrate the mixing of the forbidden Py*+/dU*- CT states with allowed pyrenyl 1(pi,pi*) states.

  3. Performance on the low charge state laser ion source in BNL

    Energy Technology Data Exchange (ETDEWEB)

    Okamura, M.; Alessi, J.; Beebe, E.; Costanzo, M.; DeSanto, L.; Jamilkowski, J.; Kanesue, T.; Lambiase, R.; Lehn, D.; Liaw, C. J.; McCafferty, D.; Morris, J.; Olsen, R.; Pikin, A.; Raparia, D.; Steszyn, A.; Ikeda, S.

    2015-09-07

    On March 2014, a Laser Ion Source (LIS) was commissioned which delivers high-brightness, low-charge-state heavy ions for the hadron accelerator complex in Brookhaven National Laboratory (BNL). Since then, the LIS has provided many heavy ion species successfully. The low-charge-state (mostly singly charged) beams are injected to the Electron Beam Ion Source (EBIS), where ions are then highly ionized to fit to the following accelerator’s Q/M acceptance, like Au32+. Recently we upgraded the LIS to be able to provide two different beams into EBIS on a pulse-to-pulse basis. Now the LIS is simultaneously providing beams for both the Relativistic Heavy Ion Collider (RHIC) and NASA Space Radiation Laboratory (NSRL).

  4. Excited-state proton coupled charge transfer modulated by molecular structure and media polarization.

    Science.gov (United States)

    Demchenko, Alexander P; Tang, Kuo-Chun; Chou, Pi-Tai

    2013-02-01

    Charge and proton transfer reactions in the excited states of organic dyes can be coupled in many different ways. Despite the complementarity of charges, they can occur on different time scales and in different directions of the molecular framework. In certain cases, excited-state equilibrium can be established between the charge-transfer and proton-transfer species. The interplay of these reactions can be modulated and even reversed by variations in dye molecular structures and changes of the surrounding media. With knowledge of the mechanisms of these processes, desired rates and directions can be achieved, and thus the multiple emission spectral features can be harnessed. These features have found versatile applications in a number of cutting-edge technological areas, particularly in fluorescence sensing and imaging.

  5. Dissociation of charge-transfer states at donor-acceptor interfaces of organic heterojunctions

    Science.gov (United States)

    Inche Ibrahim, M. L.

    2017-02-01

    The dissociation of charge-transfer (CT) states into free charge carriers at donor-acceptor (DA) interfaces is an important step in the operation of organic solar cells and related devices. In this paper, we show that the effect of DA morphology and architecture means that the directions of CT states (where a CT state’s direction is defined as the direction from the electron to the hole of the CT state) may deviate from the direction of the applied electric field. The deviation means that the electric field is not fully utilized to assist, and could even hinder the dissociation process. Furthermore, we show that the correct charge carrier mobilities that should be used to describe CT state dissociation are the actual mobilites at DA interfaces. The actual mobilities are defined in this paper, and in general are not the same as the mobilities that are used to calculate electric currents which are the mobilites along the direction of the electric field. Then, to correctly describe CT state dissociation, we modify the widely used Onsager-Braun (OB) model by including the effect of DA morphology and architecture, and by employing the correct mobilities. We verify that when the modified OB model is used to describe CT state dissociation, the fundamental issues that concern the original OB model are resolved. This study demonstrates that DA morphology and architecture play an important role by strongly influencing the CT state dissociation as well as the mobilites along the direction of the electric field.

  6. Amplitude Analysis of the Charmless Decays of Charged B Mesons to the Final States K+- Pi-+ Pi+- Using the BaBar Detector

    Energy Technology Data Exchange (ETDEWEB)

    Latham, Thomas Edward; /Bristol U.

    2006-09-18

    Results of an amplitude analysis of the B{sup +} {yields} K{sup +}{pi}{sup -}{pi}{sup +} Dalitz plot are presented. The analysis uses a data sample with an integrated luminosity of 210.6 fb{sup -1}, recorded by the BABAR detector at the PEP-II asymmetric B Factory. This sample corresponds to 231.8 million B{bar B} pairs. Branching fractions and 90% confidence level upper limits are calculated, averaged over charge conjugate states (B). For those modes that have significant branching fraction measurements CP violating charge asymmetry measurements are also presented (A{sub CP}). The results from the nominal fit are summarized.

  7. Effect of battery state of charge on fuel use and pollutant emissions of a full hybrid electric light duty vehicle

    Science.gov (United States)

    Duarte, G. O.; Varella, R. A.; Gonçalves, G. A.; Farias, T. L.

    2014-01-01

    This research work focuses on evaluating the effect of battery state of charge (SOC) in the fuel consumption and gaseous pollutant emissions of a Toyota Prius Full Hybrid Electric Vehicle, using the Vehicle Specific Power Methodology. Information on SOC, speed and engine management was obtained from the OBD interface, with additional data collected from a 5 gas analyzer and GPS receiver with barometric altimeter. Compared with average results, 40-50% battery SOC presented higher fuel consumption (57%), as well as higher CO2 (56%), CO (27%) and NOx (55.6%) emissions. For battery SOC between 50 and 60%, fuel consumption and CO2 were 9.7% higher, CO was 1.6% lower and NOx was 20.7% lower than average. For battery SOC between 60 and 70%, fuel consumption was 3.4% lower, CO2 was 3.6% lower, CO was 6.9% higher and NOx was 24.4% higher than average. For battery SOC between 70 and 80%, fuel consumption was 39.9% lower, CO2 was 38% lower, CO was 33.9% lower and NOx was 61.4% lower than average. The effect of engine OFF periods was analyzed for CO and NOx emissions. For OFF periods higher than 30 s, increases of 63% and 73% respectively were observed.

  8. Tracking excited-state charge and spin dynamics in iron coordination complexes

    DEFF Research Database (Denmark)

    Zhang, Wenkai; Alonso-Mori, Roberto; Bergmann, Uwe

    2014-01-01

    to spin state, can elucidate the spin crossover dynamics of [Fe(2,2'-bipyridine)(3)](2+) on photoinduced metal-to-ligand charge transfer excitation. We are able to track the charge and spin dynamics, and establish the critical role of intermediate spin states in the crossover mechanism. We anticipate......Crucial to many light-driven processes in transition metal complexes is the absorption and dissipation of energy by 3d electrons(1-4). But a detailed understanding of such non-equilibrium excited-state dynamics and their interplay with structural changes is challenging: a multitude of excited...... states and possible transitions result in phenomena too complex to unravel when faced with the indirect sensitivity of optical spectroscopy to spin dynamics(5) and the flux limitations of ultrafast X-ray sources(6,7). Such a situation exists for archetypal poly-pyridyl iron complexes, such as [Fe(2...

  9. Smart and Accurate State-of-Charge Indication in Portable Applications

    NARCIS (Netherlands)

    Pop, V.; Bergveld, H.J.; Notten, P.H.L.; Regtien, P.P.L.

    2005-01-01

    Accurate State-of-Charge (SoC) and remaining run-time indication for portable devices is important for the user-convenience and to prolong the lifetime of batteries. However, the known methods of SoC indication in portable applications are not accurate enough under all practical conditions. The meth

  10. Ground-state charge transfer as a mechanism for surface-enhanced Raman scattering

    Science.gov (United States)

    Lippitsch, Max E.

    1984-03-01

    A model is presented for the contribution of ground-state charge transfer between a metal and adsorbate to surface-enhanced Raman scattering (SERS). It is shown that this contribution can be understood using the vibronic theory for calculating Raman intensities. The enhancement is due to vibronic coupling of the molecular ground state to the metal states, the coupling mechanism being a modulation of the ground-state charge-transfer energy by the molecular vibrations. An analysis of the coupling operator gives the selection rules for this process, which turn out to be dependent on the overall symmetry of the adsorbate-metal system, even if the charge transfer is small enough for the symmetry of the adsorbate to remain the same as that of the free molecule. It is shown that the model can yield predictions on the properties of SERS, e.g., specificity to adsorption geometry, appearance of forbidden bands, dependence on the applied potential, and dependence on the excitation wavelength. The predictions are in good agreement with experimental results. It is also deduced from this model that in many cases atomic-scale roughness is a prerequisite for the observation of SERS. A result on the magnitude of the enhancement can only be given in a crude approximation. Although in most cases an additional electromagnetic enhancement seems to be necessary to give an observable signal, this charge-transfer mechanism should be important in many SERS systems.

  11. 42 CFR 447.68 - Alternative copayments, coinsurance, deductibles, or similar cost sharing charges: State plan...

    Science.gov (United States)

    2010-10-01

    ... 42 Public Health 4 2010-10-01 2010-10-01 false Alternative copayments, coinsurance, deductibles, or similar cost sharing charges: State plan requirements. 447.68 Section 447.68 Public Health CENTERS... Under Section 1916a § 447.68 Alternative copayments, coinsurance, deductibles, or similar cost...

  12. A Real-Time evaluation system for a state-of-charge indication algorithm

    NARCIS (Netherlands)

    Pop, V.; Bergveld, H.J.; Notten, P.H.L.; Regtien, P.P.L.

    2005-01-01

    The known methods of State-of-Charge (SoC) indication in portable applications are not accurate enough under all practical conditions. This paper describes a real- time evaluation LabVIEW system for an SoC algorithm, that calculates the SoC in [%] and also the remaining run-time available under the

  13. Spectroscopy of charge transfer states in Mg1 - x Ni x O

    Science.gov (United States)

    Churmanov, V. N.; Sokolov, V. I.; Pustovarov, V. A.; Gruzdev, N. B.; Mironova-Ulmane, N.

    2016-10-01

    Photoluminescence and photoluminescence excitation spectra of solid solution Mg1- x Ni x O ( x = 0.008) have been analyzed. The contributions of charge transfer electronic states and nonradiative Auger relaxation to the formation of the photoluminescence spectrum are discussed.

  14. Symmetry-breaking intramolecular charge transfer in the excited state of meso-linked BODIPY dyads

    KAUST Repository

    Whited, Matthew T.

    2012-01-01

    We report the synthesis and characterization of symmetric BODIPY dyads where the chromophores are attached at the meso position, using either a phenylene bridge or direct linkage. Both molecules undergo symmetry-breaking intramolecular charge transfer in the excited state, and the directly linked dyad serves as a visible-light-absorbing analogue of 9,9′-bianthryl.

  15. Observation of High Iron Charge States at Low Energies in Solar Energetic Particle Events

    Science.gov (United States)

    Guo, Z.; Möbius, E.; Klecker, B.; Bochsler, P.; Connell, J. J.; Kartavykh, Y. Y.; Mason, G. M.; Popecki, M. A.

    2014-04-01

    The ionic charge states of solar energetic particles (SEPs) provide direct information about the source plasma, the acceleration environment, and their transport. Recent studies report that both gradual and impulsive SEP events show mean iron charge states langQ Ferang ~ 10-14 at low energies E nuc-1, consistent with their origin from typical corona material at temperatures 1-2 MK. Observed increases of langQ Ferang up to 20 at energies 0.1-0.5 MeV nuc-1 in impulsive SEPs are attributed to stripping during acceleration. However, Q Fe > 16 is occasionally found in the solar wind, particularly coming from active regions, in contrast to the exclusively reported langQ Ferang = 14 throughout the entire SEPICA and STOF energy range have been identified. Four of the nine events are impulsive events identified through velocity dispersion that are consistent with source temperatures >=2 MK up to ~4 MK. The other five events show evidence of interplanetary acceleration. Four of them involve re-acceleration of impulsive material, whose original energy dependent charge states appear re-distributed to varying extent bringing higher charge states to lower energy. One event, which shows flat but elevated langQ Ferang ~ 14.2 over the entire energy range, can be associated with interplanetary acceleration of high temperature material. This event may exemplify a rare situation when a second shock plows through high temperature coronal mass ejection material.

  16. Charge Neutral Fermionic States and Current Oscillation in a Graphene-Superconductor Hybrid Structure

    Science.gov (United States)

    Duan, Wenye; Wang, Wei; Zhang, Chao; Jin, Kuijuan; Ma, Zhongshui

    2016-10-01

    The proximity properties of edge currents in the vicinity of the interface between the graphene and superconductor in the presence of magnetic field are investigated. It is shown that the edge states introduced by Andreev reflection at the graphene-superconductor (G/S) interface give rise to the charge neutral states in all Landau levels. We note that in a topological insulator-superconductor (TI/S) hybrid structure, only N = 0 Landau level can support this type of charge neutral states. The different interface states of a G/S hybrid and a TI/S hybrid is due to that graphene consists of two distinct sublattices. The armchair edge consists of two inequivalent atoms. This gives rise to unique electronic properties of edge states when connected to a superconductor. A direct consequence of zero charge states in all Landau levels is that the current density approaches zero at interface. The proximity effect leads to quantum magnetic oscillation of the current density in the superconductor region. The interface current density can also be tuned with a finite interface potential. For sharp δ-type interface potential, the derivative of the wavefunction is discontinuous. As a result, we found that there is current density discontinuity at the interface. The step of the current discontinuity is proportional to the strength of the interface potential.

  17. Status of the High Average Power Diode-Pumped Solid State Laser Development at HiLASE

    Directory of Open Access Journals (Sweden)

    Ondřej Novák

    2015-09-01

    Full Text Available An overview of the latest developments of kilowatt-level diode pumped solid state lasers for advanced applications at the HiLASE Centre is presented. An overview of subcontracted and in-house-developed laser beamlines is presented. The aim of development is to build kW-class beamlines delivering picosecond pulses between 1- and 100-kHz repetition rates and high-energy nanosecond pulses at 10 Hz. The picosecond beamlines are based on Yb:YAG thin-disk amplifiers and chirped pulse amplification. The current status of the beamlines’ performance is reported. The advantages of zero-phonon line and pulsed pumping are demonstrated with respect to efficiency, thin disk temperature and beam quality. New diagnostics methods supporting the high average power lasers’ development, such as the high-resolution spectroscopy of Yb-doped materials, in situ thin disk deformation measurements, single-shot M2 measurement, realization of wavefront correction by a deformable mirror and the laser performance of a new mixed garnet ceramics, are described. The energetic, thermal and fluid-mechanical numerical modeling for the optimization of the multi-slab amplifiers is also described.

  18. The Comparison of the Average Thresholds of Auditory Steady-State Response in Adult Subjective Idiopathic Tinnitus and Normal Subjects

    Directory of Open Access Journals (Sweden)

    Zahra Ghasem Ahmad

    2009-12-01

    Full Text Available Background and Aim: Tinnitus is a common symptom among lots of people but little is known about its origins. This study was aimed at comparing the Auditory Steady-State Response (ASSR thresholds in normal cases and patients with subjective idiopathic tinnitus (SIT in order to diagnose its real origins.Materials and Methods: This case-control study was conducted on 19 patients with tinnitus and 24 normal cases aged 18-40 yr.The patients underwent broad medical tests to roll out any background reason for their tinnitus. ASSR thresholds were estimated in both groups at 20 and 40 amplitude modulation. The patients were selected from tinnitus patients in Research Center in Hazrat Rasoul Hospital, Tehran, Iran.Results: The mean ASSR thresholds at 40HZ modulation were worse in tinnitus patients compared to normal ones (p<0.05 but no significant statistical differences was detected at 20HZ. These results were found in both situations in which we averaged both ears thresholds and when we estimated the thresholds of the ears separately.Conclusion: It seems that the origin of the responses of the modulation of 40Hz, primary auditory cortex, midbrain regions and subcortical areas, in these patients is involved or the origin of their tinnitus is related to some kind of problems in these areas, although more investigation is needed about 20Hz.

  19. Charge States of Solar Cosmic Rays and Constraints on Acceleration Times and Coronal Transport

    CERN Document Server

    Ruffolo, D

    1997-01-01

    We examine effects on the charge states of energetic ions associated with gradual solar flares due to shock heating and stripping at high ion velocities. Recent measurements of the mean charges of various elements after the flares of 1992 Oct 30 and 1992 Nov 2 allow one to place limits on the product of the electron density times the acceleration or coronal residence time. In particular, any residence in coronal loops must be for < 0.03 s, which rules out models of coronal transport in loops, such as the bird cage model. The results do not contradict models of shock acceleration of energetic ions from coronal plasma at various solar longitudes.

  20. Study on charge equilibration time of highly charged ions in carbon foils

    Institute of Scientific and Technical Information of China (English)

    Fang Yan; Xiao Guo-Qing; Xu Hu-Shan; Sun Zhi-Yu; Zhao Yong-Wao; Hu Zheng-Guo; Xu Hua-Gen; Huang Wian-Heng; Wang Yu-Yu

    2008-01-01

    Charge state distribution of 0.8MeV/u uranium ions after transmission through a thin carbon foil has been studied.It is observed that the charge state distribution is equilibrated after the uranium ions have passed through a 15 μg/cm2 carbon foil.The equilibrated average charge state is 33.72 and the charge equilibration time of uranium ions in carbon foil is less than 5.4fs.

  1. Modeling of direct beam extraction for a high-charge-state fusion driver

    Science.gov (United States)

    Anderson, O. A.; Grant Logan, B.

    A newly proposed type of multicharged ion source offers the possibility of an economically advantageous high-charge-state fusion driver. Multiphoton absorption in an intense uniform laser focus can give multiple charge states of high purity, simplifying or eliminating the need for charge-state separation downstream. Very large currents (hundreds of amperes) can be extracted from this type of source. Several arrangements are possible. For example, the laser plasma could be tailored for storage in a magnetic bucket, with beam extracted from the bucket. A different approach, described in this report, is direct beam extraction from the expanding laser plasma. We discuss extraction and focusing for the particular case of a 4.1 MV beam of Xe 16+ ions. The maximum duration of the beam pulse is limited by the total charge in the plasma, while the practical pulse length is determined by the range of plasma radii over which good beam optics can be achieved. The extraction electrode contains a solenoid for beam focusing. Our design studies were carried out first with an envelope code and then with a self-consistent particle code. Results from our initial model showed that hundreds of amperes could be extracted, but that most of this current missed the solenoid entrance or was intercepted by the wall and that only a few amperes were able to pass through. We conclude with an improved design which increases the surviving beam to more than 70 A.

  2. Charge states of a hydrogen defect (3326 cm{sup -1} line) in ZnO

    Energy Technology Data Exchange (ETDEWEB)

    Herklotz, Frank; Lavrov, Eduard; Weber, Joerg [Technische Universitaet Dresden (Germany)

    2010-07-01

    Hydrogen in ZnO is a common impurity that strongly influences its electrical and optical properties, in particular, via formation of shallow donor states. An IR absorption study of a H-related defect resulting in a local vibrational mode (LVM) at 3326 cm{sup -1} is presented. We observed that a sub band-gap illumination results in the appearance of an IR absorption line at 3358 cm{sup -1} at the expense of the 3326 cm{sup -1} signal. The results of isotope substitution experiments strongly reveal that the two signals are LVMs of the same defect in different charge states. From the energy of the sub band-gap light it is concluded that this defect has a deep level in the band-gap. Data on thermal stability as well as the transition between the different charge states at different temperatures are also presented. The microscopic nature of the defect is discussed.

  3. Full control of quadruple quantum dot circuit charge states in the single electron regime

    Energy Technology Data Exchange (ETDEWEB)

    Delbecq, M. R., E-mail: matthieu.delbecq@riken.jp; Nakajima, T.; Otsuka, T.; Amaha, S. [RIKEN, Center for Emergent Matter Science, 3-1 Wako-shi, Saitama 351-0198 (Japan); Watson, J. D. [Department of Physics, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Manfra, M. J. [Department of Physics, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); School of Materials Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Tarucha, S. [RIKEN, Center for Emergent Matter Science, 3-1 Wako-shi, Saitama 351-0198 (Japan); Department of Applied Physics, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan)

    2014-05-05

    We report the realization of an array of four tunnel coupled quantum dots in the single electron regime, which is the first required step toward a scalable solid state spin qubit architecture. We achieve an efficient tunability of the system but also find out that the conditions to realize spin blockade readout are not as straightforwardly obtained as for double and triple quantum dot circuits. We use a simple capacitive model of the series quadruple quantum dots circuit to investigate its complex charge state diagrams and are able to find the most suitable configurations for future Pauli spin blockade measurements. We then experimentally realize the corresponding charge states with a good agreement to our model.

  4. Highly charged ions in Penning traps, a new tool for resolving low lying isomeric states

    CERN Document Server

    Gallant, A T; Brunner, T; Chowdhury, U; Ettenauer, S; Simon, V V; Mané, E; Simon, M C; Andreoiu, C; Delheij, P; Gwinner, G; Pearson, M R; Ringle, R; Dilling, J

    2011-01-01

    The use of highly charged ions greatly increases the precision and resolving power, in particular for short-lived species produced at on-line radio-isotope beam facilities, achievable with Penning trap mass spectrometers. This increase in resolving power provides a new and unique access to resolving low-lying long-lived ($T_{1/2} > 50$ ms) nuclear isomers. Recently, the $111.19(22)$ keV (determined from $\\gamma$-ray spectroscopy) isomeric state in $^{78}$Rb has been resolved from the ground state, in a charge state of $q=8+$ with the TITAN Penning trap at the TRIUMF-ISAC facility. The energy level of the isomer was measured to be $108.7(6.4)$ keV above the ground state. The extracted masses for both the ground and isomeric states, and their difference, agree with the AME2003 and Nuclear Data Sheet values. This proof of principle measurement demonstrates the feasibility of using Penning trap mass spectrometers coupled to charge breeders to study nuclear isomers and opens a new route for isomer searches.

  5. The evolution of ion charge states in cathodic vacuum arc plasmas: a review

    Energy Technology Data Exchange (ETDEWEB)

    Anders, Andre

    2011-12-18

    Cathodic vacuum arc plasmas are known to contain multiply charged ions. 20 years after “Pressure Ionization: its role in metal vapour vacuum arc plasmas and ion sources” appeared in vol. 1 of Plasma Sources Science and Technology, it is a great opportunity to re-visit the issue of pressure ionization, a non-ideal plasma effect, and put it in perspective to the many other factors that influence observable charge state distributions, such as the role of the cathode material, the path in the density-temperature phase diagram, the “noise” in vacuum arc plasma as described by a fractal model approach, the effects of external magnetic fields and charge exchange collisions with neutrals. A much more complex image of the vacuum arc plasma emerges putting decades of experimentation and modeling in perspective.

  6. Charged particle assisted nuclear reactions in solid state environment: renaissance of low energy nuclear physics

    CERN Document Server

    Kálmán, Péter

    2015-01-01

    The features of electron assisted neutron exchange processes in crystalline solids are survayed. It is stated that, contrary to expectations, the cross section of these processes may reach an observable magnitude even in the very low energy case because of the extremely huge increment caused by the Coulomb factor of the electron assisted processes and by the effect of the crystal-lattice. The features of electron assisted heavy charged particle exchange processes, electron assisted nuclear capure processes and heavy charged particle assisted nuclear processes are also overviewed. Experimental observations, which may be related to our theoretical findings, are dealt with. The anomalous screening phenomenon is related to electron assisted neutron and proton exchange processes in crystalline solids. A possible explanation of observations by Fleischmann and Pons is presented. The possibility of the phenomenon of nuclear transmutation is qualitatively explained with the aid of usual and charged particle assisted r...

  7. Charge states distribution of 3350 keV He ions channeled in silicon

    CERN Document Server

    Bentini, G G; Bianconi, M; Lotti, R; Lulli, G

    2002-01-01

    When an ion beam is aligned along a major crystalline axis the dominant interaction is with valence electrons. In this condition the charge exchange processes mostly concern the interaction between the incident ion and a quasi-free electron gas and a strong reduction of the charge-changing probabilities is expected. In this work, 3350 keV He sup + and He sup 2 sup + ions were aligned at small tilt angles about the axis of a 4650 A silicon crystalline membrane. The charge state distribution (CSD) of the transmitted ions was detected by an electro-magnetic analyzer having a very small acceptance angle. In these conditions the equilibration of the CSD was not yet reached and this allowed, making use of simple approximations, for the measurement of the valence electron loss cross-section.

  8. Investigation Of The EMF Versus State Of Charge Behavior Of Individual Electrodes In New And Cycled Sony 18650 HC Cells

    Science.gov (United States)

    Dudley, G.; Mattle, T.

    2011-10-01

    Individual electrode EMFs of new and cycled Sony 18650 HC cells have been measured with the help of a lithium reference electrode inserted into complete cells. Results have revealed the relative contribution of each electrode to voltage hysteresis (the difference in cell EMF between charge and discharge at the same state of charge).They have also shown changes to the shape of the positive electrode EMF versus state of charge in cycled compared to beginning of life cells.

  9. Decay rates of large-l Rydberg states of multiply charged ions approaching solid surfaces

    Science.gov (United States)

    Nedeljkovic, N. N.; Mirkovic, M. A.; Bozanic, D. K.

    2008-07-01

    We investigate the ionization of large-l multiply charged Rydberg ions approaching solid surfaces within the framework of decay model and applying the etalon equation method. The radial coordinate rho of the active electron is treated as a variational parameter and therefore the parabolic symmetry is preserved in this procedure. The complex eigenenergies are calculated from which the energy terms and the ionization rates are derived. We find that the large-l Rydberg states decay at approximately the same ion-surface distances as the low-l states oriented toward the vacuum and considerably closer to the surface comparing to the low-l states oriented towards the surface.

  10. Ground State and Charge Renormalization in a Nonlinear Model of Relativistic Atoms

    CERN Document Server

    Gravejat, Philippe; Sere, Eric

    2007-01-01

    We study the reduced Bogoliubov-Dirac-Fock (BDF) energy which allows to describe relativistic electrons interacting with the Dirac sea, in an external electrostatic potential. The model can be seen as a mean-field approximation of Quantum Electrodynamics (QED) where photons and the so-called exchange term are neglected. A state of the system is described by its one-body density matrix, an infinite rank self-adjoint operator which is a compact perturbation of the negative spectral projector of the free Dirac operator (the Dirac sea). We study the minimization of the reduced BDF energy under a charge constraint. We prove the existence of minimizers for a large range of values of the charge, and any positive value of the coupling constant $\\alpha$. Our result covers neutral and positively charged molecules, provided that the positive charge is not large enough to create electron-positron pairs. We also prove that the density of any minimizer is an $L^1$ function and compute the effective charge of the system, re...

  11. Pressure-dependent optical investigations of Fabre salts in the charge-ordered state

    Science.gov (United States)

    Voloshenko, Ievgen; Herter, Melina; Beyer, Rebeca; Pustogow, Andrej; Dressel, Martin

    2017-03-01

    In a comprehensive infrared study, the molecular vibrational features of (TMTTF)2SbF6, (TMTTF)2AsF6 and (TMTTF)2PF6 single crystals have been measured down to temperatures as low as 7 K by applying hydrostatic pressure up to 11 kbar. We follow the charge disproportionation below the critical temperatures T CO as pressure increases, and determine the critical pressure values p CO at which the charge-ordered phase is suppressed. The coexistence of the spin-Peierls phase with charge order is explored at low temperatures, and the competition of these two phases is observed. Based on our measurements we construct a generic phase diagram of the Fabre salts with centrosymmetric anions. The pressure-dependent anion and methyl-group dynamics in these quasi-one-dimensional charge transfer compounds yields information about the interplay of the organic molecules in the stacks and the anions, and how this interaction varies upon the transition to the charge-ordered state.

  12. The s-channel charged Higgs in the fully hadronic final state at LHC

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, Ijaz [University of Malaya, National Center for Particle Physics, Kuala Lumpur (Malaysia); COMSATS Institute of Information Technology (CIIT), Islamabad (Pakistan); Hashemi, Majid [Shiraz University, Physics Department and Biruni Observatory, College of Sciences, Shiraz (Iran, Islamic Republic of); Tajuddin, Wan Ahmad [University of Malaya, National Center for Particle Physics, Kuala Lumpur (Malaysia)

    2016-04-15

    With the current measurements performed by CMS and ATLAS experiments, the light charged Higgs scenario (m{sub H}{sup {sub ±}} < 160 GeV), is excluded for most of the parameter space in the context of MSSM. However, there is still possibility to look for heavy charged Higgs boson particularly in the s-channel single top production process where the charged Higgs may appear as a heavy resonance state and decay to t anti b. The production process under consideration in this paper is pp → H{sup ±} → t anti b + h.c., where the top quark decays to W{sup +}b and W{sup +} boson subsequently decays to two light jets. It is shown that despite the presence of large QCD and electroweak background events, the charged Higgs signal can be extracted and observed at a large area of MSSM parameter space (m{sub H}{sup {sub ±}}, tanβ) at LHC. The observability of charged Higgs is potentially demonstrated with 5σ contours and 95% confidence level exclusion curves at different integrated LHC luminosities assuming a nominal center of mass energy of √(s) = 14 TeV. (orig.)

  13. Correlation between the Open-Circuit Voltage and Charge Transfer State Energy in Organic Photovoltaic Cells.

    Science.gov (United States)

    Zou, Yunlong; Holmes, Russell J

    2015-08-26

    In order to further improve the performance of organic photovoltaic cells (OPVs), it is essential to better understand the factors that limit the open-circuit voltage (VOC). Previous work has sought to correlate the value of VOC in donor-acceptor (D-A) OPVs to the interface energy level offset (EDA). In this work, measurements of electroluminescence are used to extract the charge transfer (CT) state energy for multiple small molecule D-A pairings. The CT state as measured from electroluminescence is found to show better correlation to the maximum VOC than EDA. The difference between EDA and the CT state energy is attributed to the Coulombic binding energy of the CT state. This correlation is demonstrated explicitly by inserting an insulating spacer layer between the donor and acceptor materials, reducing the binding energy of the CT state and increasing the measured VOC. These results demonstrate a direct correlation between maximum VOC and CT state energy.

  14. Charge state dynamics of the nitrogen vacancy center in diamond under near-infrared excitation

    Science.gov (United States)

    Ji, Peng; Dutt, M. V. Gurudev

    2016-05-01

    The negatively charged NV defect center (NV-) in diamond has become prominent for applications in quantum information, nanoscale magnetic and electric field sensing, and fluorescent biological markers. Switching between NV- and neutral charge states (NV0) have been extensively studied and modeled using exciting laser wavelengths that are shorter than the NV- zero-phonon line (ZPL), and typically result in decreased fluorescence from the NV- state. In this work, we report on the experimental observation that NV0 converts to NV- under excitation with near-infrared (1064 nm) light, resulting in increased fluorescence from the NV- state. We have observed this effect in both ensembles of NVs in bulk diamond, and in diamond nanocrystals, and find that it is robust both at room and low temperature. We carried out microwave and two-color excitation combined with spectral and time-resolved experimental studies. We used rate-equation modeling and find evidence for competition between one-photon and two-photon processes for hole and electron ionization. This finding may help elucidate the study of the NV energy level structure, and impact recently emerging research in single-shot measurement of the NV- spin state via spin-to-charge conversion.

  15. The study towards high intensity high charge state laser ion sources

    Science.gov (United States)

    Zhao, H. Y.; Jin, Q. Y.; Sha, S.; Zhang, J. J.; Li, Z. M.; Liu, W.; Sun, L. T.; Zhang, X. Z.; Zhao, H. W.

    2014-02-01

    As one of the candidate ion sources for a planned project, the High Intensity heavy-ion Accelerator Facility, a laser ion source has been being intensively studied at the Institute of Modern Physics in the past two years. The charge state distributions of ions produced by irradiating a pulsed 3 J/8 ns Nd:YAG laser on solid targets of a wide range of elements (C, Al, Ti, Ni, Ag, Ta, and Pb) were measured with an electrostatic ion analyzer spectrometer, which indicates that highly charged ions could be generated from low-to-medium mass elements with the present laser system, while the charge state distributions for high mass elements were relatively low. The shot-to-shot stability of ion pulses was monitored with a Faraday cup for carbon target. The fluctuations within ±2.5% for the peak current and total charge and ±6% for pulse duration were demonstrated with the present setup of the laser ion source, the suppression of which is still possible.

  16. Sensing the charge state of single gold nanoparticles via work function measurements.

    Science.gov (United States)

    Zhang, Yingjie; Pluchery, Olivier; Caillard, Louis; Lamic-Humblot, Anne-Félicie; Casale, Sandra; Chabal, Yves J; Salmeron, Miquel

    2015-01-14

    Electrostatic interactions at the nanoscale can lead to novel properties and functionalities that bulk materials and devices do not have. Here we used Kelvin probe force microscopy (KPFM) to study the work function (WF) of gold nanoparticles (NPs) deposited on a Si wafer covered by a monolayer of alkyl chains, which provide a tunnel junction. We find that the WF of Au NPs is size-dependent and deviates strongly from that of the bulk Au. We attribute the WF change to the charging of the NPs, which is a consequence of the difference in WF between Au and the substrate. For an NP with 10 nm diameter charged with ∼ 5 electrons, the WF is found to be only ∼ 3.6 eV. A classical electrostatic model is derived that explains the observations in a quantitative way. We also demonstrate that the WF and charge state of Au NPs are influenced by chemical changes of the underlying substrate. Therefore, Au NPs could be used for chemical and biological sensing, whose environmentally sensitive charge state can be read out by work function measurements.

  17. The study towards high intensity high charge state laser ion sources.

    Science.gov (United States)

    Zhao, H Y; Jin, Q Y; Sha, S; Zhang, J J; Li, Z M; Liu, W; Sun, L T; Zhang, X Z; Zhao, H W

    2014-02-01

    As one of the candidate ion sources for a planned project, the High Intensity heavy-ion Accelerator Facility, a laser ion source has been being intensively studied at the Institute of Modern Physics in the past two years. The charge state distributions of ions produced by irradiating a pulsed 3 J/8 ns Nd:YAG laser on solid targets of a wide range of elements (C, Al, Ti, Ni, Ag, Ta, and Pb) were measured with an electrostatic ion analyzer spectrometer, which indicates that highly charged ions could be generated from low-to-medium mass elements with the present laser system, while the charge state distributions for high mass elements were relatively low. The shot-to-shot stability of ion pulses was monitored with a Faraday cup for carbon target. The fluctuations within ±2.5% for the peak current and total charge and ±6% for pulse duration were demonstrated with the present setup of the laser ion source, the suppression of which is still possible.

  18. Surface-state-mediated charge-transfer dynamics in CdTe/CdSe core-shell quantum dots.

    Science.gov (United States)

    Rawalekar, Sachin; Kaniyankandy, Sreejith; Verma, Sandeep; Ghosh, Hirendra N

    2011-06-20

    Herein, we report the synthesis of aqueous CdTe/CdSe type-II core-shell quantum dots (QDs) in which 3-mercaptopropionic acid is used as the capping agent. The CdTe QDs and CdTe/CdSe core-shell QDs are characterized by X-ray diffraction (XRD), high-resolution transmission electron microscopy (HR-TEM), steady-state absorption, and emission spectroscopy. A red shift in the steady-state absorption and emission bands is observed with increasing CdSe shell thickness over CdTe QDs. The XRD pattern indicates that the peaks are shifted to higher angles after growth of the CdSe shell on the CdTe QDs. HR-TEM images of both CdTe and CdTe/CdSe QDs indicate that the particles are spherical, with a good shape homogeneity, and that the particle size increases by about 2 nm after shell formation. In the time-resolved emission studies, we observe that the average emission lifetime (τ(av)) increases to 23.5 ns for CdTe/CdSe (for the thickest shell) as compared to CdTe QDs (τ(av) =12 ns). The twofold increment in the average emission lifetime indicates an efficient charge separation in type-II CdTe/CdSe core-shell QDs. Transient absorption studies suggest that both the carrier cooling and the charge-transfer dynamics are affected by the presence of traps in the CdTe QDs and CdTe/CdSe core-shell QDs. Carrier quenching experiments indicate that hole traps strongly affect the carrier cooling dynamics in CdTe/CdSe core-shell QDs.

  19. Virtual charge state separator as an advanced tool coupling measurements and simulations

    Science.gov (United States)

    Yaramyshev, S.; Vormann, H.; Adonin, A.; Barth, W.; Dahl, L.; Gerhard, P.; Groening, L.; Hollinger, R.; Maier, M.; Mickat, S.; Orzhekhovskaya, A.

    2015-05-01

    A new low energy beam transport for a multicharge uranium beam will be built at the GSI High Current Injector (HSI). All uranium charge states coming from the new ion source will be injected into GSI heavy ion high current HSI Radio Frequency Quadrupole (RFQ), but only the design ions U4 + will be accelerated to the final RFQ energy. A detailed knowledge about injected beam current and emittance for pure design U4 + ions is necessary for a proper beam line design commissioning and operation, while measurements are possible only for a full beam including all charge states. Detailed measurements of the beam current and emittance are performed behind the first quadrupole triplet of the beam line. A dedicated algorithm, based on a combination of measurements and the results of advanced beam dynamics simulations, provides for an extraction of beam current and emittance values for only the U4 + component of the beam. The proposed methods and obtained results are presented.

  20. Laser Plasmas : Multiple charge states of titanium ions in laser produced plasma

    Indian Academy of Sciences (India)

    M Shukla; S Bandhyopadhyay; V N Rai; A V Kilpio; H C Pant

    2000-11-01

    An intense laser radiation (1012 to 1014 W/cm-2) focused on the solid target creates a hot (≥ 1 keV) and dense plasma having high ionization state. The multiple charged ions with high current densities produced during laser matter interaction have potential application in accelerators as an ion source. This paper presents generation and detection of highly stripped titanium ions (Ti) in laser produced plasma. An Nd:glass laser (KAMETRON) delivering 50 J energy ( = 0.53 m) in 2.5 ns was focused onto a titanium target to produce plasma. This plasma was allowed to drift across a space of ∼ 3 m through a diagnostic hole in the focusing mirror before ions are finally detected with the help of electrostatic ion analyzer. Maximum current density was detected for the charge states of +16 and +17 of Ti ions for laser intensity of ∼ 1014 W/cm-2.

  1. Contribution of material’s surface layer on charge state distribution in laser ablation plasma

    Energy Technology Data Exchange (ETDEWEB)

    Kumaki, Masafumi, E-mail: rogus@asagi.waseda.jp [Research Institute for Science and Engineering, Waseda University, Tokyo 169-8555 (Japan); Nishina Center for Accelerator-Based Science, RIKEN, Saitama 351-0198 (Japan); Steski, Dannie; Kanesue, Takeshi [Collider-Accelerator Department, Brookhaven National Laboratory, Upton, New York 11973 (United States); Ikeda, Shunsuke [Nishina Center for Accelerator-Based Science, RIKEN, Saitama 351-0198 (Japan); Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, Kanagawa 226-8503 (Japan); Okamura, Masahiro [Nishina Center for Accelerator-Based Science, RIKEN, Saitama 351-0198 (Japan); Collider-Accelerator Department, Brookhaven National Laboratory, Upton, New York 11973 (United States); Washio, Masakazu [Research Institute for Science and Engineering, Waseda University, Tokyo 169-8555 (Japan)

    2016-02-15

    To generate laser ablation plasma, a pulse laser is focused onto a solid target making a crater on the surface. However, not all the evaporated material is efficiently converted to hot plasma. Some portion of the evaporated material could be turned to low temperature plasma or just vapor. To investigate the mechanism, we prepared an aluminum target coated by thin carbon layers. Then, we measured the ablation plasma properties with different carbon thicknesses on the aluminum plate. The results showed that C{sup 6+} ions were generated only from the surface layer. The deep layers (over 250 nm from the surface) did not provide high charge state ions. On the other hand, low charge state ions were mainly produced by the deeper layers of the target. Atoms deeper than 1000 nm did not contribute to the ablation plasma formation.

  2. Suprathermal Electrons in the Solar Corona: Can Nonlocal Transport Explain Heliospheric Charge States?

    CERN Document Server

    Cranmer, Steven R

    2014-01-01

    There have been several ideas proposed to explain how the Sun's corona is heated and how the solar wind is accelerated. Some models assume that open magnetic field lines are heated by Alfven waves driven by photospheric motions and dissipated after undergoing a turbulent cascade. Other models posit that much of the solar wind's mass and energy is injected via magnetic reconnection from closed coronal loops. The latter idea is motivated by observations of reconnecting jets and also by similarities of ion composition between closed loops and the slow wind. Wave/turbulence models have also succeeded in reproducing observed trends in ion composition signatures versus wind speed. However, the absolute values of the charge-state ratios predicted by those models tended to be too low in comparison with observations. This letter refines these predictions by taking better account of weak Coulomb collisions for coronal electrons, whose thermodynamic properties determine the ion charge states in the low corona. A perturb...

  3. Hospitalization frequency and charges for neurocysticercosis, United States, 2003-2012.

    Science.gov (United States)

    O'Neal, Seth E; Flecker, Robert H

    2015-06-01

    Neurocysticercosis, brain infection with Taenia solium larval cysts, causes substantial neurologic illness around the world. To assess the effect of neurocysticercosis in the United States, we reviewed hospitalization discharge data in the Nationwide Inpatient Sample for 2003-2012 and found an estimated 18,584 hospitalizations for neurocysticercosis and associated hospital charges totaling >US $908 million. The risk for hospitalization was highest among Hispanics (2.5/100,000 population), a rate 35 times higher than that for the non-Hispanic white population. Nearly three-quarters of all hospitalized patients with neurocysticercosis were Hispanic. Male sex and age 20-44 years also incurred increased risk. In addition, hospitalizations and associated charges related to cysticercosis far exceeded those for malaria and were greater than for those for all other neglected tropical diseases combined. Neurocysticercosis is an increasing public health concern in the United States, especially among Hispanics, and costs the US health care system a substantial amount of money.

  4. Attributes for NHDPlus Catchments (Version 1.1) for the Conterminous United States: Average Annual Daily Maximum Temperature, 2002

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This data set represents the average monthly maximum temperature in Celsius multiplied by 100 for 2002 compiled for every catchment of NHDPlus for the conterminous...

  5. Attributes for NHDPlus Catchments (Version 1.1) for the Conterminous United States: Average Annual Daily Minimum Temperature, 2002

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This data set represents the average monthly minimum temperature in Celsius multiplied by 100 for 2002 compiled for every catchment of NHDPlus for the conterminous...

  6. Attributes for NHDPlus Catchments (Version 1.1) for the Conterminous United States: Average Monthly Precipitation, 2002

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This data set represents the average monthly precipitation in millimeters multiplied by 100 for 2002 compiled for every catchment of NHDPlus for the conterminous...

  7. Attributes for NHDPlus Catchments (Version 1.1) for the Conterminous United States: Average Saturation Excess-Overland Flow, 2002

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This data set represents the average value of saturation overland flow, in percent of total streamflow, compiled for every catchment of NHDPlus for the conterminous...

  8. Area- and Depth-Weighted Averages of Selected SSURGO Variables for the Conterminous United States and District of Columbia

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This digital data release consists of seven national data files of area- and depth-weighted averages of select soil attributes for every available county in the...

  9. EnviroAtlas - Annual average potential wind energy resource by 12-digit HUC for the Conterminous United States

    Data.gov (United States)

    U.S. Environmental Protection Agency — This EnviroAtlas dataset shows the annual average potential wind energy resource in kilowatt hours per square kilometer per day for each 12-digit Hydrologic Unit...

  10. EnviroAtlas - Average Annual Precipitation 1981-2010 by HUC12 for the Conterminous United States

    Data.gov (United States)

    U.S. Environmental Protection Agency — This EnviroAtlas dataset provides the average annual precipitation by 12-digit Hydrologic Unit (HUC). The values were estimated from maps produced by the PRISM...

  11. State of Charge Dependent Mechanical Integrity Behavior of 18650 Lithium-ion Batteries

    OpenAIRE

    Jun Xu; Binghe Liu; Dayong Hu

    2016-01-01

    Understanding the mechanism of mechanical deformation/stress-induced electrical failure of lithium–ion batteries (LIBs) is important in crash-safety design of power LIBs. The state of charge (SOC) of LIBs is a critical factor in their electrochemical performance; however, the influence of SOC with mechanical integrity of LIBs remains unclear. This study investigates the electrochemical failure behaviors of LIBs with various SOCs under both compression and bending loadings, underpinned by the ...

  12. Device and Method for Continuously Equalizing the Charge State of Lithium Ion Battery Cells

    Science.gov (United States)

    Schwartz, Paul D. (Inventor); Martin, Mark N. (Inventor); Roufberg, Lewis M. (Inventor)

    2015-01-01

    A method of equalizing charge states of individual cells in a battery includes measuring a previous cell voltage for each cell, measuring a previous shunt current for each cell, calculating, based on the previous cell voltage and the previous shunt current, an adjusted cell voltage for each cell, determining a lowest adjusted cell voltage from among the calculated adjusted cell voltages, and calculating a new shunt current for each cell.

  13. Lithium-Ion Battery Failure: Effects of State of Charge and Packing Configuration

    Science.gov (United States)

    2016-08-22

    geometries, abuse scenarios, and analysis techniques. In this report, different states of charge and packing configurations of a commercially available...15 1 1.0 Background and Motivation Lithium-ion batteries are a popular choice of power source for a variety of...military systems due to their promise of high power and high energy density. However, safety remains a significant concern, as battery failure leads

  14. The role of hydrogen bonding in excited state intramolecular charge transfer.

    Science.gov (United States)

    Chipem, Francis A S; Mishra, Anasuya; Krishnamoorthy, G

    2012-07-07

    Intramolecular charge transfer (ICT) that occurs upon photoexcitation of molecules is a vital process in nature and it has ample applications in chemistry and biology. The ICT process of the excited molecules is affected by several environmental factors including polarity, viscosity and hydrogen bonding. The effect of polarity and viscosity on the ICT processes is well understood. But, despite the fact that hydrogen bonding significantly influences the ICT process, the specific role of hydrogen bonding in the formation and stabilization of the ICT state is not unambiguously established. Some literature reports predicted that the hydrogen bonding of the solvent with a donor promotes the formation of a twisted intramolecular charge transfer (TICT) state. Some other reports stated that it inhibits the formation of the TICT state. Alternatively, it was proposed that the hydrogen bonding of the solvent with an acceptor favors the TICT state. It is also observed that a dynamic equilibrium is established between the free and the hydrogen bonded ICT states. This perspective focuses on the specific role played by hydrogen bonding of the solvent with the donor and the acceptor, and by proton transfer in the ICT process. The utility of such influence in molecular recognition and anion sensing is discussed with a few recent literature examples in the end.

  15. Charge-Transfer Excited States in Aqueous DNA: Insights from Many-Body Green's Function Theory

    Science.gov (United States)

    Yin, Huabing; Ma, Yuchen; Mu, Jinglin; Liu, Chengbu; Rohlfing, Michael

    2014-06-01

    Charge-transfer (CT) excited states play an important role in the excited-state dynamics of DNA in aqueous solution. However, there is still much controversy on their energies. By ab initio many-body Green's function theory, together with classical molecular dynamics simulations, we confirm the existence of CT states at the lower energy side of the optical absorption maximum in aqueous DNA as observed in experiments. We find that the hydration shell can exert strong effects (˜1 eV) on both the electronic structure and CT states of DNA molecules through dipole electric fields. In this case, the solvent cannot be simply regarded as a macroscopic screening medium as usual. The influence of base stacking and base pairing on the CT states is also discussed.

  16. Prospects of charged-oscillator quantum-state generation with Rydberg atoms

    Science.gov (United States)

    Stevenson, Robin; Minář, Jiří; Hofferberth, Sebastian; Lesanovsky, Igor

    2016-10-01

    We explore the possibility of engineering quantum states of a charged mechanical oscillator by coupling it to a stream of atoms in superpositions of high-lying Rydberg states. Our scheme relies on the driving of a two-phonon resonance within the oscillator by coupling it to an atomic two-photon transition. This approach effectuates a controllable open system dynamics on the oscillator that in principle permits versatile dissipative creation of squeezed and other nonclassical states which are central to sensing applications or for studies of fundamental questions concerning the boundary between classical and quantum-mechanical descriptions of macroscopic objects. We show that these features survive thermal coupling of the oscillator with the environment. We perform a detailed feasibility study finding that current state-of-the-art parameters result in atom-oscillator couplings which are too weak to efficiently implement the proposed oscillator state preparation protocol. Finally, we comment on ways to circumvent the present limitations.

  17. Substituent and Solvent Effects on Excited State Charge Transfer Behavior of Highly Fluorescent Dyes Containing Thiophenylimidazole-Based Aldehydes

    Science.gov (United States)

    Santos, Javier; Bu, Xiu R.; Mintz, Eric A.

    2001-01-01

    The excited state charge transfer for a series of highly fluorescent dyes containing thiophenylimidazole moiety was investigated. These systems follow the Twisted Intramolecular Charge Transfer (TICT) model. Dual fluorescence was observed for each substituted dye. X-ray structures analysis reveals a twisted ground state geometry for the donor substituted aryl on the 4 and 5 position at the imidazole ring. The excited state charge transfer was modeled by a linear solvation energy relationship using Taft's pi and Dimroth's E(sub T)(30) as solvent parameters. There is linear relation between the energy of the fluorescence transition and solvent polarity. The degree of stabilization of the excited state charge transfer was found to be consistent with the intramolecular molecular charge transfer. Excited dipole moment was studied by utilizing the solvatochromic shift method.

  18. F-theory compactifications and central charges of BPS-states

    CERN Document Server

    Obikhod, Tetiana V

    2016-01-01

    F-theory, as Theory of Everything is compactified on Calabi-Yau threefolds or fourfolds. Using toric approximation of Batyrev and mirror symmetry of Calabi-Yau manifolds it is possible to present Calabi-Yau in the form of dual integer polyhedra. With the help of Gelfand, Zelevinsky, Kapranov algorithm were calculated the numbers of BPS-states in F-theory, and by application of Tate algorithm were determined the enhanced symmetries. As the result, any integral dual polyhedron representing a Calabi-Yau manifold, is characterized by its own set of topological invariants - the numbers of BPS states, whose central charges are classified by enhanced symmetries.

  19. Fragile charge order in the nonsuperconducting ground state of the underdoped high-temperature superconductors.

    Science.gov (United States)

    Tan, B S; Harrison, N; Zhu, Z; Balakirev, F; Ramshaw, B J; Srivastava, A; Sabok-Sayr, S A; Sabok, S A; Dabrowski, B; Lonzarich, G G; Sebastian, Suchitra E

    2015-08-04

    The normal state in the hole underdoped copper oxide superconductors has proven to be a source of mystery for decades. The measurement of a small Fermi surface by quantum oscillations on suppression of superconductivity by high applied magnetic fields, together with complementary spectroscopic measurements in the hole underdoped copper oxide superconductors, point to a nodal electron pocket from charge order in YBa2Cu3(6+δ). Here, we report quantum oscillation measurements in the closely related stoichiometric material YBa2Cu4O8, which reveals similar Fermi surface properties to YBa2Cu3(6+δ), despite the nonobservation of charge order signatures in the same spectroscopic techniques, such as X-ray diffraction, that revealed signatures of charge order in YBa2Cu3(6+δ). Fermi surface reconstruction in YBa2Cu4O8 is suggested to occur from magnetic field enhancement of charge order that is rendered fragile in zero magnetic fields because of its potential unconventional nature and/or its occurrence as a subsidiary to more robust underlying electronic correlations.

  20. 2D coherent charge transport in highly ordered conducting polymers doped by solid state diffusion

    Science.gov (United States)

    Kang, Keehoon; Watanabe, Shun; Broch, Katharina; Sepe, Alessandro; Brown, Adam; Nasrallah, Iyad; Nikolka, Mark; Fei, Zhuping; Heeney, Martin; Matsumoto, Daisuke; Marumoto, Kazuhiro; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Sirringhaus, Henning

    2016-08-01

    Doping is one of the most important methods to control charge carrier concentration in semiconductors. Ideally, the introduction of dopants should not perturb the ordered microstructure of the semiconducting host. In some systems, such as modulation-doped inorganic semiconductors or molecular charge transfer crystals, this can be achieved by spatially separating the dopants from the charge transport pathways. However, in conducting polymers, dopants tend to be randomly distributed within the conjugated polymer, and as a result the transport properties are strongly affected by the resulting structural and electronic disorder. Here, we show that in the highly ordered lamellar microstructure of a regioregular thiophene-based conjugated polymer, a small-molecule p-type dopant can be incorporated by solid state diffusion into the layers of solubilizing side chains without disrupting the conjugated layers. In contrast to more disordered systems, this allows us to observe coherent, free-electron-like charge transport properties, including a nearly ideal Hall effect in a wide temperature range, a positive magnetoconductance due to weak localization and the Pauli paramagnetic spin susceptibility.

  1. Recombination Kinetics in Organic-Inorganic Perovskites: Excitons, Free Charge, and Subgap States

    Science.gov (United States)

    Stranks, Samuel D.; Burlakov, Victor M.; Leijtens, Tomas; Ball, James M.; Goriely, Alain; Snaith, Henry J.

    2014-09-01

    Organic-inorganic perovskites are attracting increasing attention for their use in high-performance solar cells. Nevertheless, a detailed understanding of charge generation, interplay of excitons and free charge carriers, and recombination pathways, crucial for further device improvement, remains incomplete. Here, we present an analytical model describing both equilibrium properties of free charge carriers and excitons in the presence of electronic subgap trap states and their time evolution after photoexcitation in CH3NH3PbI3-xClx. At low fluences the charge-trapping pathways limit the photoluminescence quantum efficiency, whereas at high fluences the traps are predominantly filled and recombination of the photogenerated species is dominated by efficient radiative processes. We show experimentally that the photoluminescence quantum efficiency approaches 100% at low temperatures and at high fluences, as predicted by our model. Our approach provides a theoretical framework to understand the fundamental physics of perovskite semiconductors and to help in designing and enhancing the material for improved optoelectronic device operation.

  2. Excited State Structural Dynamics of Carotenoids and ChargeTransfer Systems

    Energy Technology Data Exchange (ETDEWEB)

    Van Tassle, Aaron Justin [Univ. of California, Berkeley, CA (United States)

    2006-01-01

    This dissertation describes the development andimplementation of a visible/near infrared pump/mid-infrared probeapparatus. Chapter 1 describes the background and motivation ofinvestigating optically induced structural dynamics, paying specificattention to solvation and the excitation selection rules of highlysymmetric molecules such as carotenoids. Chapter 2 describes thedevelopment and construction of the experimental apparatus usedthroughout the remainder of this dissertation. Chapter 3 will discuss theinvestigation of DCM, a laser dye with a fluorescence signal resultingfrom a charge transfer state. By studying the dynamics of DCM and of itsmethyl deuterated isotopomer (an otherwise identical molecule), we areable to investigate the origins of the charge transfer state and provideevidence that it is of the controversial twisted intramolecular (TICT)type. Chapter 4 introduces the use of two-photon excitation to the S1state, combined with one-photon excitation to the S2 state of thecarotenoid beta-apo-8'-carotenal. These 2 investigations show evidencefor the formation of solitons, previously unobserved in molecular systemsand found only in conducting polymers Chapter 5 presents an investigationof the excited state dynamics of peridinin, the carotenoid responsiblefor the light harvesting of dinoflagellates. This investigation allowsfor a more detailed understanding of the importance of structuraldynamics of carotenoids in light harvesting.

  3. Averaged state model based design of nonlinear observer for the on/off solenoid valve pneumatic actuators

    OpenAIRE

    Laib, Khaled; Megnous, Ahmed Rhéda; Pham, Minh Tu; Lin-Shi, Xuefang

    2016-01-01

    This report presents an averaged model and nonlinear observer for an on/off pneumatic actuator. The actuator is composed of two chambers and four on/off solenoid valves. The averaged model is elaborated which has the advantage of using only one continuous input instead of four binary inputs. Based on this new model, a sliding mode observer is designed using the piston's position and the pressure measurements in one of the chambers to estimate the piston velocity and the pressure in the other ...

  4. Micro-hybrid electric vehicle application of valve-regulated lead-acid batteries in absorbent glass mat technology: Testing a partial-state-of-charge operation strategy

    Science.gov (United States)

    Schaeck, S.; Stoermer, A. O.; Hockgeiger, E.

    The BMW Group has launched two micro-hybrid functions in high volume models in order to contribute to reduction of fuel consumption in modern passenger cars. Both the brake energy regeneration (BER) and the auto-start-stop function (ASSF) are based on the conventional 14 V vehicle electrical system and current series components with only little modifications. An intelligent control algorithm of the alternator enables recuperative charging in braking and coasting phases, known as BER. By switching off the internal combustion engine at a vehicle standstill the idling fuel consumption is effectively reduced by ASSF. By reason of economy and package a lead-acid battery is used as electrochemical energy storage device. The BMW Group assembles valve-regulated lead-acid (VRLA) batteries in absorbent glass mat (AGM) technology in the micro-hybrid electrical power system since special challenges arise for the batteries. By field data analysis a lower average state-of-charge (SOC) due to partial state-of-charge (PSOC) operation and a higher cycling rate due to BER and ASSF are confirmed in this article. Similar to a design of experiment (DOE) like method we present a long-term lab investigation. Two types of 90 Ah VRLA AGM batteries are operated with a test bench profile that simulates the micro-hybrid vehicle electrical system under varying conditions. The main attention of this lab testing is focused on capacity loss and charge acceptance over cycle life. These effects are put into context with periodically refresh charging the batteries in order to prevent accelerated battery aging due to hard sulfation. We demonstrate the positive effect of refresh chargings concerning preservation of battery charge acceptance. Furthermore, we observe moderate capacity loss over 90 full cycles both at 25 °C and at 3 °C battery temperature.

  5. Local equilibria and state transfer of charged classical particles on a helix in an electric field

    CERN Document Server

    Plettenberg, J; Zampetaki, A V; Schmelcher, P

    2016-01-01

    We explore the effects of a homogeneous external electric field on the static properties and dynamical behavior of two charged particles confined to a helix. In contrast to the field-free setup which provides a separation of the center-of-mass and relative motion, the existence of an external force perpendicular to the helix axis couples the center-of-mass to the relative degree of freedom leading to equilibria with a localized center of mass. By tuning the external field various fixed points are created and/or annihilated through different bifurcation scenarios. We provide a detailed analysis of these bifurcations based on which we demonstrate a robust state transfer between essentially arbitrary equilibrium configurations of the two charges that can be induced by making the external force time-dependent.

  6. Charge States of Solar Cosmic Rays and Constraints on Acceleration Times and Transport within the Corona

    Science.gov (United States)

    Ruffolo, David

    1997-04-01

    We examine effects on the charge states of solar cosmic ray ions due to shock heating or stripping at suprathermal ion velocities. Recent measurements of the mean charges of various elements after the gradual solar flares of 1992 Oct 30 and 1992 Nov 2 allow one to place limits on the product of the electron density times the acceleration or coronal residence time experienced by the escaping ions. In particular, any residence in coronal loops must be for bird cage model) in which escaping ions travel to distant solar longitudes within coronal loops. The results do not contradict models of distributed shock acceleration of energetic ions from coronal plasma at various solar longitudes, followed by prompt injection into the interplanetary medium.

  7. Multicolour Emission States from Charge Transfer between Carbon Dots and Surface Molecules

    Directory of Open Access Journals (Sweden)

    Shengliang Hu

    2017-02-01

    Full Text Available The emissive states of carbon dots have been tuned by controlling the charge transfer process. The carbon dots couple with molecules, which are made of a benzene ring and different heteroatom substituents, through amino-carboxylic bonds that are generally identified as charge transfer promoters at the interface. New ways of radiative recombination are created due to the transfer of photo-excited electrons from carbon dots to the lowest unoccupied molecular orbital (LUMO of the grafted molecules. By variation of the molecular orbital energy levels via heteroatom substituents in the benzene ring, the different optical properties and emission colors of the carbon dots were presented. This work opens up new opportunities for the application of carbon dots since different heteroatom substituents could lead to many possibilities for conjugation with drugs and biomolecules.

  8. Semilocal and Hybrid Density Embedding Calculations of Ground-State Charge-Transfer Complexes

    CERN Document Server

    Laricchia, S; Della Sala, F; 10.1063/1.4795825

    2013-01-01

    We apply the frozen density embedding method, using a full relaxation of embedded densities through a freeze-and-thaw procedure, to study the electronic structure of several benchmark ground-state charge-transfer complexes, in order to assess the merits and limitations of the approach for this class of systems. The calculations are performed using both semilocal and hybrid exchange-correlation (XC) functionals. The results show that embedding calculations using semilocal XC functionals yield rather large deviations with respect to the corresponding supermolecular calculations. Due to a large error cancellation effect, however, they can often provide a relatively good description of the electronic structure of charge-transfer complexes, in contrast to supermolecular calculations performed at the same level of theory. On the contrary, when hybrid XC functionals are employed, both embedding and supermolecular calculations agree very well with each other and with the reference benchmark results. In conclusion, fo...

  9. Counting charged massless states in the (0,2) heterotic CFT/geometry connection

    CERN Document Server

    Beccaria, Matteo; Puhm, Andrea

    2010-01-01

    We use simple current techniques and their relation to orbifolds with discrete torsion for studying the (0,2) CFT/geometry duality with non-rational internal $N=2$ SCFTs. Explicit formulas for the charged spectra of heterotic $SO(10)$ GUT models are computed in terms of their extended Poincar\\'{e} polynomials and the complementary Poincar\\'{e} polynomial which can be computed in terms of the elliptic genera. While non-BPS states contribute to the charged spectrum, their contributions can be determined also for non-rational cases. For model building, with generalizations to $SU(5)$ and SM gauge groups, one can take advantage of the large class of Landau-Ginzburg orbifold examples.

  10. Formation and decay of the Rydberg states of multiply charged ions interacting with solid surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Mirkovic, M A; Nedeljkovic, N N; Bozanic, D K, E-mail: gmirkomarko@sezampro.rs

    2010-11-01

    Processes of formation and decay of the Rydberg states of multiply charged ions escaping solid surfaces with intermediate velocities (v {approx} 1 a.u.) represent complex quantum events that require a detailed quantum description. We have developed a two-state vector model for the population process, with the functions {Psi}{sub 1} and {Psi}{sub 2} for definition of the state of a single active electron. The electron exchange between the solid and the moving ion is described by a mixed flux through a plane positioned between them. For the low values of the angular momentum quantum numbers l the radial electronic coordinate {rho} can be neglected, whereas for the large-l values a wide space region around the projectile trajectory was taken into account. The reionization of the previously populated states is considered as a decay of the wave function {Psi}{sub 2}. The corresponding decay rates are obtained by an appropriate etalon equation method: in the large-l case the radial electronic coordinate {rho} is treated as a variational parameter. The theoretical predictions based on that population-reionization mechanism are compared with the available beam-foil experimental data, as well as the experimental data obtained in the interaction of multiply charged ions with micro-capillary foil. Generally, the model reproduces the experimentally observed non-linear trend of the l distributions from l = 0 to l{sub max} = n - 1.

  11. Tuning the role of charge-transfer states in intramolecular singlet exciton fission through side-group engineering

    Science.gov (United States)

    Lukman, Steven; Chen, Kai; Hodgkiss, Justin M.; Turban, David H. P.; Hine, Nicholas D. M.; Dong, Shaoqiang; Wu, Jishan; Greenham, Neil C.; Musser, Andrew J.

    2016-12-01

    Understanding the mechanism of singlet exciton fission, in which a singlet exciton separates into a pair of triplet excitons, is crucial to the development of new chromophores for efficient fission-sensitized solar cells. The challenge of controlling molecular packing and energy levels in the solid state precludes clear determination of the singlet fission pathway. Here, we circumvent this difficulty by utilizing covalent dimers of pentacene with two types of side groups. We report rapid and efficient intramolecular singlet fission in both molecules, in one case via a virtual charge-transfer state and in the other via a distinct charge-transfer intermediate. The singlet fission pathway is governed by the energy gap between singlet and charge-transfer states, which change dynamically with molecular geometry but are primarily set by the side group. These results clearly establish the role of charge-transfer states in singlet fission and highlight the importance of solubilizing groups to optimize excited-state photophysics.

  12. The role of emissive charge transfer states in two polymer-fullerene organic photovoltaic blends : tuning charge photogeneration through the use of processing additives

    NARCIS (Netherlands)

    Clarke, Tracey M.; Peet, Jeff; Lungenschmied, Christoph; Drolet, Nicolas; Lu, Xinhui; Ocko, Benjamin M.; Mozer, Attila J.; Loi, Maria Antonietta

    2014-01-01

    The role of charge transfer (CT) states in organic photovoltaic systems has been debated in the recent literature. In this paper the device performances of two structurally analogous polymers PDTSiTTz (also known as KP115) and PCPDTTTz blended with PCBM are investigated, focusing on the effect the p

  13. Energy loss and charge state dependency of swift Nq+ ions scattered off a Pt(110)(1 x 2) surface

    NARCIS (Netherlands)

    Robin, A; Hatke, N; Jensen, J; Plachke, D; Carstanjen, HD; Heiland, W

    2003-01-01

    We present new surface scattering results combining measurements of energy loss and charge state distributions of 0.7-1.4 MeV Nq+ (q = 1, 2) ions. The energy range is still below the bulk stopping power maximum and charge exchange occurs. The projectiles scatter from a Pt(110)(1 x 2) single crystal

  14. Identifying the magnetoconductance responses by the induced charge transfer complex states in pentacene-based diodes

    Science.gov (United States)

    Huang, Wei-Shun; Lee, Tsung-Hsun; Guo, Tzung-Fang; Huang, J. C. A.; Wen, Ten-Chin

    2012-07-01

    We investigate the magnetoconductance (MC) responses in photocurrent, unipolar injection, and bipolar injection regimes in pentacene-based diodes. Both photocurrent and bipolar injection contributed MC responses show large difference in MC line shape, which are attributed to triplet-polaron interaction modulated by the magnetic field dependent singlet fission and the intersystem crossing of the polaron pair, respectively. By blending 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane into pentacene, all the MC responses are suppressed but the MC response at unipolar injection regime is enhanced, which is attributed to the induced charge transfer complex states (CT complex states). This work identify the MC responses between single carrier contributed MC and exciton related MC by the induced CT complex states.

  15. Is dipole moment a valid descriptor of excited state's charge-transfer character?

    Science.gov (United States)

    Petelenz, Piotr; Pac, Barbara

    2013-11-20

    In the ongoing discussion on excited states of the pentacene crystal, dipole moment values have been recently invoked to gauge the CT admixture to excited states of Frenkel parentage in a model cluster. In the present paper, a simple dimer model is used to show that, in general, the dipole moment is not a valid measure of the CT contribution. This finding eliminates some apparent disagreement between the computational results published by different research groups. The implications of our results and other related aspects of cluster-type quantum chemistry calculations are discussed in the context of the standing literature dispute concerning the mechanism of singlet fission in the pentacene crystal, notably the role of charge transfer contributions vs the involvement of an excimer-like doubly excited intermediate (D state).

  16. On the effect of excited states in lattice calculations of the nucleon axial charge

    CERN Document Server

    Hansen, Maxwell T

    2016-01-01

    Excited-state contamination is one of the dominant uncertainties in lattice calculations of the nucleon axial-charge, $g_A$. Recently published results in leading-order chiral perturbation theory (ChPT) predict the excited-state contamination to be independent of the nucleon interpolator and positive. However, empirical results from numerical lattice calculations show negative contamination (downward curvature), indicating that present-day calculations are not in the regime where the leading-order ChPT predictions apply. In this paper we show that, under plausible assumptions, one can reproduce the behavior of lattice correlators by taking into account final-state $N \\pi$ interactions, in particular the effect of the Roper resonance, and by postulating a sign change in the infinite-volume $N \\to N \\pi$ axial-vector transition amplitude.

  17. Spin to Charge Interconversion Phenomena in the Interface and Surface States

    Science.gov (United States)

    Ando, Yuichiro; Shiraishi, Masashi

    2017-01-01

    In 1985, Johnson and Silsbee realized the creation of a spin current in nonmagnetic metals, which inspired a vast number of studies related to the spin current until now. Creation of the spin current has been realized in metals, semiconductors, and insulators to date and has provided a fruitful research field. Spin-dependent conductance and spin torque paved a new way for spintronic application, and highly efficient interconversion between spin information and an industrially used one, such as charge current, light, magnetic moment and heat current, became a central topic. In the early stage, the main field of such interconversion was bulk materials; the focus then gradually shifted to surface and interface states. The properties of surface and interface states became pronounced in nanoscale spintronics devices, and a variety of functions have been realized at the interface between two materials, enabling limitless possibilities for spin functions. This review provides an overview of the recent progress of the spin-charge interconversion in the surface and interface states. We also introduce several spurious effects that should be paid careful attention for quantitative investigations.

  18. Observation of excited state charge transfer with fs/ps-CARS

    Energy Technology Data Exchange (ETDEWEB)

    Blom, Alex Jason [Iowa State Univ., Ames, IA (United States)

    2009-01-01

    Excited state charge transfer processes are studied using the fs/ps-CARS probe technique. This probe allows for multiplexed detection of Raman active vibrational modes. Systems studied include Michler's Ketone, Coumarin 120, 4-dimethylamino-4'-nitrostilbene, and several others. The vibrational spectrum of the para di-substituted benzophenone Michler's Ketone in the first excited singlet state is studied for the first time. It is found that there are several vibrational modes indicative of structural changes of the excited molecule. A combined experimental and theoretical approach is used to study the simplest 7-amino-4-methylcoumarin, Coumarin 120. Vibrations observed in FTIR and spontaneous Raman spectra are assigned using density functional calculations and a continuum solvation model is used to predict how observed modes are affected upon inclusion of a solvent. The low frequency modes of the excited state charge transfer species 4-dimethylamino-4{prime}-nitrostilbene are studied in acetonitrile. Results are compared to previous work on this molecule in the fingerprint region. Finally, several partially completed projects and their implications are discussed. These include the two photon absorption of Coumarin 120, nanoconfinement in cyclodextrin cavities and sensitization of titania nanoparticles.

  19. The Effect of Interfacial Geometry on Charge-Transfer States in the Phthalocyanine/Fullerene Organic Photovoltaic System.

    Science.gov (United States)

    Lee, Myeong H; Geva, Eitan; Dunietz, Barry D

    2016-05-19

    The dependence of charge-transfer states on interfacial geometry at the phthalocyanine/fullerene organic photovoltaic system is investigated. The effect of deviations from the equilibrium geometry of the donor-donor-acceptor trimer on the energies of and electronic coupling between different types of interfacial electronic excited states is calculated from first-principles. Deviations from the equilibrium geometry are found to destabilize the donor-to-donor charge transfer states and to weaken their coupling to the photoexcited donor-localized states, thereby reducing their ability to serve as charge traps. At the same time, we find that the energies of donor-to-acceptor charge transfer states and their coupling to the donor-localized photoexcited states are either less sensitive to the interfacial geometry or become more favorable due to modifications relative to the equilibrium geometry, thereby enhancing their ability to serve as gateway states for charge separation. Through these findings, we eludicate how interfacial geometry modifications can play a key role in achieving charge separation in this widely studied organic photovoltaic system.

  20. MeV ion cluster interaction with solids: explosion, charge states and secondary emissions; Interaction d`ions agregats de quelques MeV avec des cibles solides: dissociation, etats de charge et emissions secondaires

    Energy Technology Data Exchange (ETDEWEB)

    Brunelle, A.; Della Negra, S.; Depauw, J.; Jacquet, D.; Le Beyec, Y.; Pautrat, M. [Experimental Research Division, Inst. de Physique Nucleaire, Paris-11 Univ., 91 - Orsay (France)

    1999-11-01

    The interaction of fast carbon cluster projectiles with solid target has been studied. It has been shown that the average ionization state of the constituents of carbon clusters coming out from thin amorphous carbon targets, is significantly lower than the exciting charge state of the single carbon atom at the same velocity. This effect increases with the size of the cluster and decreases with the target thickness. We have followed the evolution of secondary H{sup +} emission, from the exit side of the foil in the the forward direction, as a function of the target thickness and size and velocity of cluster projectile. At 2 MeV/atom, C{sub 10} and C{sub 5} cluster constituents are still close enough after 30 nm of amorphous carbon to induce H{sup +} emission as if all the constituents were concentrated in a `point-charge`. When decreasing the velocity by a factor of 1.4, because of increased multiple scattering and Coulomb explosion effects, this point-charge behaviour is not observed any more. (authors) 1 fig.

  1. Kalman-variant estimators for state of charge in lithium-sulfur batteries

    DEFF Research Database (Denmark)

    Propp, Karsten; Auger, Daniel J.; Fotouhi, Abbas;

    2017-01-01

    Lithium-sulfur batteries are now commercially available, offering high specific energy density, low production costs and high safety. However, there is no commercially-available battery management system for them, and there are no published methods for determining state of charge in situ...... practical experimentation, considering both a pulse-discharge test and a test based on the New European Driving Cycle (NEDC). Experimentation is carried out at a constant temperature, mirroring the environment expected in the authors' target automotive application. It is shown that the estimators, which...

  2. Effect of Surface Defect States on Valence Band and Charge Separation and Transfer Efficiency

    Science.gov (United States)

    Xu, Juan; Teng, Yiran; Teng, Fei

    2016-09-01

    Both energy band and charge separation and transfer are the crucial affecting factor for a photochemical reaction. Herein, the BiOCl nanosheets without and with surface bismuth vacancy (BOC, V-BOC) are prepared by a simple hydrothermal method. It is found that the new surface defect states caused by bismuth vacancy have greatly up-shifted the valence band and efficiently enhanced the separation and transfer rates of photogenerated electron and hole. It is amazing that the photocatalytic activity of V-BOC is 13.6 times higher than that of BOC for the degradation methyl orange (MO). We can develop an efficient photocatalyst by the introduction of defects.

  3. Excited state intramolecular charge transfer reaction in 4-(1-azetidinyl)benzonitrile: Solvent isotope effects

    Indian Academy of Sciences (India)

    Tuhin Pradhan; Piue Ghoshal; Ranjit Biswas

    2009-01-01

    Excited state intramolecular charge transfer reaction of 4-(1-azetidinyl) benzonitrile (P4C) in deuterated and normal methanol, ethanol and acetonitrile has been studied in order to investigate the solvent isotope effects on reaction rates and yields. These quantities (reaction rates and yields) along with several other properties such as quantum yield and radiative rates have been found to be insensitive to the solvent isotope substitution in all these solvents. The origin of the solvent isotope insensitivity of the reaction is discussed and correlated with the observed slowing down of the solvation dynamics upon isotope substitution.

  4. Measuring neutrino-induced exclusive charge-current final states on hydrogen at T2K

    CERN Document Server

    Coplowe, David; Barr, Giles

    2016-01-01

    By taking advantage of symmetries with respect to the plane containing the directions of the neutrino and outgoing lepton, it is possible to isolate neutrino interactions on hydrogen in composite nuclear targets. This technique enables us to study the `primary' neutrino-nucleon interaction and therefore gain access to fundamental model parameters free from nuclear effects. Using T2K Monte Carlo equivalent to $\\sim7\\times10^{21}$ POT, we present an update on the measurement of the exclusive charged-current $\\mu^-$, p, $\\pi^+$ final state on hydrogen.

  5. Topological charge transfer in frequency doubling of fractional orbital angular momentum state

    Science.gov (United States)

    Ni, R.; Niu, Y. F.; Du, L.; Hu, X. P.; Zhang, Y.; Zhu, S. N.

    2016-10-01

    Nonlinear frequency conversion is promising for manipulating photons with orbital angular momentum (OAM). In this letter, we investigate the second harmonic generation (SHG) of light beams carrying fractional OAM. By measuring the OAM components of the generated second harmonic (SH) waves, we find that the integer components of the fundamental beam will interact with each other during the nonlinear optical process; thus, we figure out the law for topological charge transfer in frequency doubling of the fractional OAM state. Theoretical predictions by solving the nonlinear coupled wave equations are consistent with the experimental results.

  6. Collision states and scar effects in charged three-body problems

    CERN Document Server

    Vilela-Mendes, R

    1997-01-01

    Semiclassical methods form a bridge between classical systems and their quantum counterparts. An interesting phenomenon discovered in this connection is the scar effect, whereby energy eigenstates display enhancement structures resembling the path of unstable periodic orbits. This paper deals with collision states in charged three-body problems, in periodic media, which are scarred by unstable classical orbits. The scar effect has a potential for practical applications because orbits corresponding to zero measure classical configurations may be reached and stabilized by resonant excitation. It may be used, for example, to induce reactions that are favoured by unstable configurations.

  7. State of charge modeling of lithium-ion batteries using dual exponential functions

    Science.gov (United States)

    Kuo, Ting-Jung; Lee, Kung-Yen; Huang, Chien-Kang; Chen, Jau-Horng; Chiu, Wei-Li; Huang, Chih-Fang; Wu, Shuen-De

    2016-05-01

    A mathematical model is developed by fitting the discharging curve of LiFePO4 batteries and used to investigate the relationship between the state of charge and the closed-circuit voltage. The proposed mathematical model consists of dual exponential terms and a constant term which can fit the characteristics of dual equivalent RC circuits closely, representing a LiFePO4 battery. One exponential term presents the stable discharging behavior and the other one presents the unstable discharging behavior and the constant term presents the cut-off voltage.

  8. Charge states of a hydrogen defect (3326 cm-1 line) in ZnO

    Science.gov (United States)

    Herklotz, F.; Lavrov, E. V.; Weber, J.

    2012-08-01

    The hydrogen defect in ZnO that gives rise to a local vibrational mode at 3326 cm-1 is investigated by means of IR absorption. Sub-band gap illumination results in the appearance of a new line at 3358 cm-1 at the expense of the 3326 cm-1 signal. The measurements identify both IR absorption signals as O-H stretch modes of the same defect in different charge states. The effect of the sub-band gap light strongly suggest that this defect has a deep level in the band gap. Additionally, results on the thermal stability of the 3326 cm-1 feature are presented.

  9. Temperature and Magnetic Field Effects on the Transport Controlled Charge State of a Single Quantum Dot

    Directory of Open Access Journals (Sweden)

    Moskalenko ES

    2010-01-01

    Full Text Available Abstract Individual InAs/GaAs quantum dots are studied by micro-photoluminescence. By varying the strength of an applied external magnetic field and/or the temperature, it is demonstrated that the charge state of a single quantum dot can be tuned. This tuning effect is shown to be related to the in-plane electron and hole transport, prior to capture into the quantum dot, since the photo-excited carriers are primarily generated in the barrier.

  10. Study on battery state of charge correct algorithm of electric vehicle

    Institute of Scientific and Technical Information of China (English)

    KAN Ping; QIAN Lijun

    2012-01-01

    State of Charge (SOC) is used to adjust the initialization SOC value so as to make electric vehicle simulation results close to real vehicle performance. This paper firstly analyses the battery SOC correct algorithm, then uses ADVISOR which is a electric vehicle simulation software to simulate a hybrid electric car with three different cases of no SOC correct, linear SOC correct and zero delta SOC correct, as well as makes the compare and analysis for those simulation results. In the end, an overall conclusion to SOC correct algorithm is given.

  11. ESTIMATION METHOD ON THE BATTERY STATE OF CHARGE FOR HYBRID ELECTRIC VEHICLE

    Institute of Scientific and Technical Information of China (English)

    QIANG Jiaxi; AO Guoqiang; YANG Lin

    2008-01-01

    A combined algorithm for battery state of charge (SOC) estimation is proposed to solve the critical issue of hybrid electric vehicle (HEV). To obtain a more accurate SOC, both coulomb-accumulation and battery resistance-capacitor (RC) model are weighted combined to compensate the deficiencies of individual methods. In order to solve the key issue of coulomb-accumulation, the battery thermal model is used. Based on the principle of energy conservation, the heat generated from battery charge and discharge process is converted into the equivalent electricity to calculate charge and discharge efficiency under variable current. The extended Kalman filter (EKF) as a closed loop algorithm is applied to estimate the parameters of resistance-capacitor model. The input variables do not increase much computing difficulty. The proposed combined algorithm is implemented by adjusting the weighting factor of coulomb- accumulation and resistance-capacitor model. In the end, four different methods including Ah-efficiency, Ah-Equip, RC-SOC and Combined-SOC are compared in federal testing procedure (FTP) drive cycle. The experiment results show that the proposed method has good robustness and high accuracy which is suitable for HEV application.

  12. Average hard X-ray emission from NS LMXBs: Observational evidence of different spectral states in NS LMXBs

    CERN Document Server

    Paizis, A; Titarchuk, L; Courvoisier, T J L; Bazzano, A; Beckmann, V; Frontera, F; Goldoni, P; Kuulkers, E; Mereghetti, S; Rodríguez, J; Vilhu, O

    2006-01-01

    We studied and compared the long term average hard X-ray (>20 keV) spectra of a sample of twelve bright low-mass X-ray binaries hosting a neutron star (NS). Our sample comprises the six well studied Galactic Z sources and six Atoll sources, four of which are bright ("GX") bulge sources while two are weaker ones in the 2-10 keV range (H 1750-440 and H 1608-55). For all the sources of our sample, we analysed available public data and extracted average spectra from the IBIS/ISGRI detector on board INTEGRAL. The two low-dim Atoll spectra are dominated by photons upscattered presumably due to dynamical and thermal Comptonization in an optically thin, hot plasma. For the first time, we extend the detection of H 1750-440 up to 150 keV. The Z and bright "GX" Atoll source spectra are very similar and are dominated by Comptonized blackbody radiation of seed photons presumably coming from the accretion disc and NS surface. The seed photons radiation is Comptonized in the optically thick cloud with plasma temperature in ...

  13. Heavy Inertial Confinement Energy: Interactions Involoving Low charge State Heavy Ion Injection Beams

    Energy Technology Data Exchange (ETDEWEB)

    DuBois, Robert D

    2006-04-14

    During the contract period, absolute cross sections for projectile ionization, and in some cases for target ionization, were measured for energetic (MeV/u) low-charge-state heavy ions interacting with gases typically found in high and ultra-high vacuum environments. This information is of interest to high-energy-density research projects as inelastic interactions with background gases can lead to serious detrimental effects when intense ion beams are accelerated to high energies, transported and possibly confined in storage rings. Thus this research impacts research and design parameters associated with projects such as the Heavy Ion Fusion Project, the High Current and Integrated Beam Experiments in the USA and the accelerator upgrade at GSI-Darmstadt, Germany. Via collaborative studies performed at GSI-Darmstadt, at the University of East Carolina, and Texas A&M University, absolute cross sections were measured for a series of collision systems using MeV/u heavy ions possessing most, or nearly all, of their bound electrons, e.g., 1.4 MeV/u Ar{sup +}, Xe{sup 3+}, and U{sup 4,6,10+}. Interactions involving such low-charge-state heavy ions at such high energies had never been previously explored. Using these, and data taken from the literature, an empirical model was developed for extrapolation to much higher energies. In order to extend our measurements to much higher energies, the gas target at the Experimental Storage Ring in GSI-Darmstadt was used. Cross sections were measured between 20 and 50 MeV/u for U{sup 28+}- H{sub 2} and - N{sub 2}, the primary components found in high and ultra-high vacuum systems. Storage lifetime measurements, information inversely proportional to the cross section, were performed up to 180 MeV/u. The lifetime and cross section data test various theoretical approaches used to calculate cross sections for many-electron systems. Various high energy density research projects directly benefit by this information. As a result, the general

  14. Applications of Floquet-Magnus expansion, average Hamiltonian theory and Fer expansion to study interactions in solid state NMR when irradiated with the magic-echo sequence.

    Science.gov (United States)

    Mananga, Eugene Stephane

    2013-01-01

    This work presents the possibility of applying the Floquet-Magnus expansion and the Fer expansion approaches to the most useful interactions known in solid-state nuclear magnetic resonance using the magic-echo scheme. The results of the effective Hamiltonians of these theories and average Hamiltonian theory are presented.

  15. Charge state modification in Mn site substituted CMR manganites: strong deleterious influence on the ferromagnetic-metallic state

    Energy Technology Data Exchange (ETDEWEB)

    Lakshmi, L Seetha [XS and CGS, Materials Science Division, Indira Gandhi Centre For Atomic Research, Kalpakkam, Tamil Nadu 603102 (India); Doerr, K [Institute of Metallic Materials, IFW Dresden, Postach 270116, Dresden 01171 (Germany); Nenkov, K [Institute of Metallic Materials, IFW Dresden, Postach 270116, Dresden 01171 (Germany); Sastry, V S [XS and CGS, Materials Science Division, Indira Gandhi Centre For Atomic Research, Kalpakkam, Tamil Nadu 603102 (India); Mueller, K-H [Institute of Metallic Materials, IFW Dresden, Postach 270116, Dresden 01171 (Germany)

    2007-06-13

    The effect of charge state modification at the Mn site on the physical properties of CMR manganites is reported. With a view to avoiding additional complexity of local spin coupling effects, Mn site substitution of La{sub 0.67}Ca{sub 0.33}MnO{sub 3} is carried out with appropriate diamagnetic ions-Zn{sup 2+}, Zr{sup 4+}, Ta{sup 5+} and W{sup 6+}-of different valence states. The substitution results in size changes of the unit cell and enhanced local structural distortions, which increase in the order Zn, Zr, Ta and W. The ground state is ferromagnetic-metallic below a certain critical concentration x{sub c} of the substituents, beyond which the magnetic ground state shows a glassy behaviour. The phase transition temperatures (T{sub MI} and T{sub c}) decrease with substitution, but to different extents. The observed suppression rates of the Curie temperature, T{sub c}, of {approx}39 K/at.% and {approx}45 K/at.% respectively for Ta{sup 5+} and W{sup 6+} substituted compounds are the highest reported in the Mn site substituted CMR manganites. Besides the modification of majority carrier concentration due to the increased (decreased) Mn{sup 3+} concentration and enhanced local structural effects, the local electrostatic potential of the substituents seems to contribute to the unusually strong reduction in the itinerant ferromagnetism and the observed glassy states.

  16. Fractional charge and inter-Landau-level states at points of singular curvature

    Science.gov (United States)

    Biswas, Rudro R.; Thanh Son, Dam

    2016-08-01

    The quest for universal properties of topological phases is fundamentally important because these signatures are robust to variations in system-specific details. Aspects of the response of quantum Hall states to smooth spatial curvature are well-studied, but challenging to observe experimentally. Here we go beyond this prevailing paradigm and obtain general results for the response of quantum Hall states to points of singular curvature in real space; such points may be readily experimentally actualized. We find, using continuum analytical methods, that the point of curvature binds an excess fractional charge and sequences of quantum states split away, energetically, from the degenerate bulk Landau levels. Importantly, these inter-Landau-level states are bound to the topological singularity and have energies that are universal functions of bulk parameters and the curvature. Our exact diagonalization of lattice tight-binding models on closed manifolds demonstrates that these results continue to hold even when lattice effects are significant. An important technological implication of these results is that these inter-Landau-level states, being both energetically and spatially isolated quantum states, are promising candidates for constructing qubits for quantum computation.

  17. Mean field theory of charge-density wave state in magnetic field

    Science.gov (United States)

    Grigoriev, Pavel; Lyubshin, Dmitrij

    2005-03-01

    We develop a mean field theory of charge-density wave (CDW) state in magnetic field and study properties of this state below the transition temperature. We show that the CDW state with shifted wave vector in high magnetic field (CDWx phase) has a double harmonic modulation on the most part of the phase diagram. At perfect nesting the single harmonic CDW state with shifted wave vector exists only in a very narrow region near the triple point. We show that the transition from CDW0 to CDWx state below the critical temperature is accompanied by a jump of the CDW order parameter and of the CDW wave vector rather than by their continuous increase. This implies a first order transition between these CDW states and explains a strong hysteresis accompanying this transition. The similarities between CDW in high magnetic field and nonuniform LOFF superconducting phase are pointed out. Our investigation provides a theoretical description for recent experiments on organic metal α-(BEDT-TTF)2KHg(SCN)4 and other compounds. In particular, we explain the higher value of the kink transition field and provide the calculation of the phase diagram in the case of perfect nesting.

  18. Fractional charge and inter-Landau-level states at points of singular curvature.

    Science.gov (United States)

    Biswas, Rudro R; Son, Dam Thanh

    2016-08-02

    The quest for universal properties of topological phases is fundamentally important because these signatures are robust to variations in system-specific details. Aspects of the response of quantum Hall states to smooth spatial curvature are well-studied, but challenging to observe experimentally. Here we go beyond this prevailing paradigm and obtain general results for the response of quantum Hall states to points of singular curvature in real space; such points may be readily experimentally actualized. We find, using continuum analytical methods, that the point of curvature binds an excess fractional charge and sequences of quantum states split away, energetically, from the degenerate bulk Landau levels. Importantly, these inter-Landau-level states are bound to the topological singularity and have energies that are universal functions of bulk parameters and the curvature. Our exact diagonalization of lattice tight-binding models on closed manifolds demonstrates that these results continue to hold even when lattice effects are significant. An important technological implication of these results is that these inter-Landau-level states, being both energetically and spatially isolated quantum states, are promising candidates for constructing qubits for quantum computation.

  19. Automated charge state determination of complex isotope-resolved mass spectra by peak-target Fourier transform.

    Science.gov (United States)

    Chen, Li; Yap, Yee Leng

    2008-01-01

    This study describes a new algorithm for charge state determination of complex isotope-resolved mass spectra. This algorithm is based on peak-target Fourier transform (PTFT) of isotope packets. It is modified from the widely used Fourier transform method because Fourier transform may give ambiguous charge state assignment for low signal-to-noise ratio (S/N) or overlapping isotopic clusters. The PTFT algorithm applies a novel "folding" strategy to enhance peaks that are symmetrically spaced about the targeted peak before applying the FT. The "folding" strategy multiplies each point to the high-m/z side of the targeted peak by its counterpart on the low-m/z side. A Fourier transform of this "folded" spectrum is thus simplified, emphasizing the charge state of the "chosen" ion, whereas ions of other charge states contribute less to the transformed data. An intensity-dependent technique is also proposed for charge state determination from frequency signals. The performance of PTFT is demonstrated using experimental electrospray ionization Fourier transform ion cyclotron resonance mass spectra. The results show that PTFT is robust for charge state determination of low S/N and overlapping isotopic clusters, and also useful for manual verification of potential hidden isotopic clusters that may be missed by the current analysis algorithms, i.e., AID-MS or THRASH.

  20. Projectile- and charge-state-dependent electron yields from ion penetration of solids as a probe of preequilibrium stopping power

    DEFF Research Database (Denmark)

    Rothard, H.; Schou, Jørgen; Groeneveld, K.-O.

    1992-01-01

    Kinetic electron-emission yields gamma from swift ion penetration of solids are proportional to the (electronic) stopping power gamma approximately Beta-S*, if the preequilibrium evolution of the charge and excitation states of the positively charged ions is taken into account. We show...... that the concept of the preequilibrium near-surface stopping S* can be applied successfully to describe the dependence of the ion-induced electron yields on the projectile atomic number Z(P) and on the charge states q(i) of the incoming ions. We discuss the implementation of this concept into Schou's transport...

  1. Instantaneous generation of charge-separated state on TiO₂ surface sensitized with plasmonic nanoparticles.

    Science.gov (United States)

    Long, Run; Prezhdo, Oleg V

    2014-03-19

    Photoexcitation of the plasmon band in metallic nanoparticles adsorbed on a TiO2 surface initiates many important photovoltaic and photocatalytic processes. The traditional view on the photoinduced charge separation involves excitation of a surface plasmon, its subsequent dephasing into electron-hole pairs, followed by electron transfer (ET) from the metal nanoparticle into TiO2. We use nonadiabatic molecular dynamics combined with time-domain density functional theory to demonstrate that an electron appears inside TiO2 immediately upon photoexcitation with a high probability (~50%), bypassing the intermediate step of electron-hole thermalization inside the nanoparticle. By providing a detailed, atomistic description of the charge separation, energy relaxation, and electron-hole recombination processes, the simulation rationalizes why the experimentally observed ultrafast photoinduced ET in an Au-TiO2 system is possible in spite of the fast energy relaxation. The simulation shows that the photogenerated plasmon is highly delocalized onto TiO2, and thus, it is shared by the electron donor and acceptor materials. In the 50% of the cases remaining after the instantaneous photogeneration of the charge-separated state, the electron injects into TiO2 on a sub-100 fs time scale by the nonadiabatic mechanism due to high density of acceptor states. The electron-phonon relaxation parallels the injection and is slower, resulting in a transient heating of the TiO2 surface by 40 K. Driven by entropy, the electron moves further into TiO2 bulk. If the electron remains trapped at the TiO2 surface, it recombines with the hole on a picosecond time scale. The obtained ET and recombination times are in excellent agreement with the experiment. The delocalized plasmon state observed in our study establishes a novel concept for plasmonic photosensitization of wide band gap semiconductors, leading to efficient conversion of photons to charge carriers and to hybrid materials with a wide

  2. The intramolecular charge transfer state in carbonyl-containing polyenes and carotenoids.

    Science.gov (United States)

    Enriquez, Miriam M; Fuciman, Marcel; LaFountain, Amy M; Wagner, Nicole L; Birge, Robert R; Frank, Harry A

    2010-09-30

    Numerous femtosecond time-resolved optical spectroscopic experiments have reported that the lifetime of the low-lying S(1) state of carbonyl-containing polyenes and carotenoids decreases with increasing solvent polarity. The effect becomes even more pronounced as the number of double bonds in the conjugated π-electron system decreases. The effect has been attributed to an intramolecular charge transfer (ICT) state coupled to S(1), but it is still not clear what the precise molecular nature of this state is, and how it is able to modulate the spectral and dynamic properties of polyenes and carotenoids. In this work, we examine the nature of the ICT state in three substituted polyenes: crocetindial, which contains two terminal, symmetrically substituted carbonyl groups in conjugation with the π-electron system, 8,8'-diapocarotene-8'-ol-8-al, which has one terminal conjugated carbonyl group and one hydroxyl group, and 8,8'-diapocarotene-8,8'-diol, which has two terminal, symmetrically positioned, hydroxyl groups but no carbonyls. Femtosecond time-resolved optical spectroscopic experiments on these molecules reveal that only the asymmetrically substituted 8,8'-diapocarotene-8'-ol-8-al exhibits any substantial effect of solvent on the excited state spectra and dynamics. The data are interpreted using molecular orbital theory which shows that the ICT state develops via mixing of the low-lying S(1) (2(1)A(g)-like) and S(2) (1(1)B(u)-like) excited singlet states to form a resultant state that preferentially evolves in polar solvent and exhibits a very large (∼25 D) dipole moment. Molecular dynamics calculations demonstrate that the features of the ICT state are present in ∼20 fs.

  3. Excited state intramolecular charge transfer reaction in non-aqueous reverse micelles: Effects of solvent confinement and electrolyte concentration

    Indian Academy of Sciences (India)

    Tuhin Pradhan; Harun Al Rasid Gazi; Biswajit Guchhait; Ranjit Biswas

    2012-03-01

    Steady state and time resolved fluorescence emission spectroscopy have been employed to investigate the effects of solvent confinement and electrolyte concentration on excited state intramolecular charge transfer (ICT) reaction in 4-(1-pyrrolidinyl) benzonitrile (P5C), 4-(1-piperidinyl) benzonitrile (P6C), and 4-(1-morpholenyl) benzonitrile (M6C) in AOT/n-heptane/acetonitrile and AOT/n-heptane/methanol reverse micelles. Dramatic confinement effects have been revealed via a huge reduction (factor ranging between 100 and 20) over bulk values of both equilibrium and reaction rate constants. A strong dependence on the size of the confinement () of these quantities has also been observed. dependent average static dielectric constant, viscosity and solvation time-scale have been determined. Estimated dielectric constants for confined methanol and acetonitrile show a decrease from the respective bulk values by a factor of 3-5 and viscosities increased by a factor of 2 at the highest considered. Addition of electrolyte at = 5 for acetonitrile is found to produce a linear increase of confined solvent viscosity but leads to a non-monotonic electrolyte concentration dependence of average solvation time. Reaction rate constant is found to decrease linearly with electrolyte concentration for P5C and P6C but non-monotonically for M6C, the highest decrease for all the molecules being ∼ 20% over the value in the absence of added electrolyte in the solvent pool. The observed huge reduction in reaction rate constant is attributed to the effects of decreased solution polarity, enhanced viscosity and slowed-down solvent reorganization of the solvent under confinement in these non-aqueous reverse micelles.

  4. Influence of intensity on the steady and transient state space-charge fields in photorefractive polymers

    Institute of Scientific and Technical Information of China (English)

    袁保红; 孙秀冬; 姜永远; 周忠祥; 姚凤凤; 李焱

    2002-01-01

    We have proven theoretically that there are sublinear, linear and superlinear relations between the response ratesand total incident intensity for different cases of traps in photorefractive polymer materials. These relations wereobserved in inorganic photorefractive crystals many years ago. Also, the steady-state space-charge field is a functionof the total incident intensity, which has also been found in inorganic photorefractive crystals. We have measured therelations of the steady-state diffraction efficiency and the response rate with respect to the total incident intensity in thephotorefractive composite consisting of the polymer (N-vinylcarbazole) (PVK) doped with 4,4'-n-pentylcyanobiphenyl(5CB) and C60. The results obtained show that the composite belongs to the case of low trap density.

  5. Long-lived charge-separated states in ligand-stabilized silver clusters

    KAUST Repository

    Pelton, Matthew

    2012-07-25

    Recently developed synthesis methods allow for the production of atomically monodisperse clusters of silver atoms stabilized in solution by aromatic thiol ligands, which exhibit intense absorption peaks throughout the visible and near-IR spectral regions. Here we investigated the time-dependent optical properties of these clusters. We observed two kinetic processes following ultrafast laser excitation of any of the absorption peaks: a rapid decay, with a time constant of 1 ps or less, and a slow decay, with a time constant that can be longer than 300 ns. Both time constants decrease as the polarity of the solvent increases, indicating that the two processes correspond to the formation and recombination, respectively, of a charge-separated state. The long lifetime of this state and the broad optical absorption spectrum mean that the ligand-stabilized silver clusters are promising materials for solar energy harvesting. © 2012 American Chemical Society.

  6. State-Of-Charge Estimation of Li-Ion Battery Using Extended Kalman Filter

    Directory of Open Access Journals (Sweden)

    Feng Jin

    2013-07-01

    Full Text Available The Li-ion battery is studied base on its equivalent circuit PNGV model. The model parameters are identified by HPPC test. The discrete state space equation is established according to the model. The basic theory of extended Kalman filter algorithm is studied and then the filtering algorithm is set up under the noisy environments. Finally, a kind of electric car is used for testing under the UDDS driving condition. The difference between the simulation value using extended Kalman filter under the noisy environment and the theoretical value is compared. The result indicated that the extended Kalman filter keeps an excellent precision in state of charge estimation of Li-ion battery and performs well when disturbance happens.

  7. Block-Localized Wavefunction (BLW) Based Two-State Approach for Charge Transfers between Phenyl Rings.

    Science.gov (United States)

    Mo, Yirong; Song, Lingchun; Lin, Yuchun; Liu, Minghong; Cao, Zexing; Wu, Wei

    2012-03-13

    The block-localized wave function (BLW) method is the simplest and most efficient variant of ab initio valence bond (VB) theory which defines electron-localized resonance states following the conventional VB concepts. Here, a BLW-based two-state approach is proposed to probe the charge/hole transfer reactions within the Marcus-Hush model. With this approach, both the electronic coupling and reorganization energies can be derived at the ab initio level. Pilot applications to the electron/hole transfers between two phenyl rings are presented. Good exponential correlation between the electronic coupling energy and the donor-acceptor distance is shown, whereas the inner-sphere reorganization shows little geometric dependency. Computations also support the assumption in Marcus theory that the thermal electron transfer barrier (ΔG*), which is a sum of the reaction barrier (ΔEa) for electron/hole transfer and the coupling energy (VAB), is a quarter of the reorganization energy (λ).

  8. {sup 26}Al measurements below 500 kV in charge state 2+

    Energy Technology Data Exchange (ETDEWEB)

    Müller, Arnold Milenko, E-mail: arnold.mueller@phys.ethz.ch; Christl, Marcus; Lachner, Johannes; Synal, Hans-Arno; Vockenhuber, Christof; Zanella, Claudia

    2015-10-15

    The use of helium as stripper gas improved the measurement efficiency of compact AMS systems for many radionuclides significantly because of a higher mean charge state and reduced scattering losses compared with other conventional gases. Recent tests at the ETH 500 kV AMS facility (Tandy) with aluminum have demonstrated that a transmission of more than 50% is achievable in the charge state 2+ at terminal voltages between 300 and 500 kV. On the other hand the m/q interference of {sup 13}C{sup 1+} entering the detector at very high intensity has to be suppressed. Based on first positive results with a very simple absorber cell a more elaborate absorber detector configuration was designed and built in order to eliminate the carbon interference. The suppression of carbon with the new detector–absorber design has been studied extensively at 300 kV (950 keV) and 500 kV (1550 keV) and the results are compared with simulated data. With the new configuration an overall transmission for {sup 26}Al of more than 42% at 500 kV and about 30% at 300 kV terminal voltage is achieved, while {sup 26}Al/{sup 27}Al blank ratios of aluminum targets in the range of 5–14·10{sup −15} are measured.

  9. High intensity high charge state ion beam production with an evaporative cooling magnet ECRIS

    Energy Technology Data Exchange (ETDEWEB)

    Lu, W., E-mail: luwang@impcas.ac.cn; Qian, C.; Sun, L. T.; Zhang, X. Z.; Feng, Y. C.; Ma, B. H.; Zhao, H. W.; Zhan, W. L. [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 73000 (China); Fang, X.; Guo, J. W.; Yang, Y. [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 73000 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Xiong, B.; Ruan, L. [Institute of Electrical Engineering, CAS, Beijing 100190 (China); Xie, D. [Nuclear Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2016-02-15

    LECR4 (Lanzhou ECR ion source No. 4) is a room temperature electron cyclotron resonance ion source, designed to produce high current, high charge state ion beams for the SSC-LINAC injector (a new injector for sector separated cyclotron) at the Institute of Modern Physics. LECR4 also serves as a PoP machine for the application of evaporative cooling technology in accelerator field. To achieve those goals, LECR4 ECR ion source has been optimized for the operation at 18 GHz. During 2014, LECR4 ion source was commissioned at 18 GHz microwave of 1.6 kW. To further study the influence of injection stage to the production of medium and high charge state ion beams, in March 2015, the injection stage with pumping system was installed, and some optimum results were produced, such as 560 eμA of O{sup 7+}, 620 eμA of Ar{sup 11+}, 430 eμA of Ar{sup 12+}, 430 eμA of Xe{sup 20+}, and so on. The comparison will be discussed in the paper.

  10. A new state of charge determination method for battery management system

    Institute of Scientific and Technical Information of China (English)

    ZHU Chun-bo 朱春波; WANG Tie-cheng 王铁成; HURLEY W G

    2004-01-01

    State of Charge (SOC) determination is an increasingly important issue in battery technology. In addition to the immediate display of the remaining battery capacity to the user, precise knowledge of SOC exerts additional control over the charging/discharging process which in turn reduces the risk of over-voltage and gassing, which degrade the chemical composition of the electrolyte and plates. This paper describes a new approach to SOC determination for the lead-acid battery management system by combining Ah-balance with an EMF estimation algorithm, which predicts the battery' s EMF value while it is under load. The EMF estimation algorithm is based on an equivalent-circuit representation of the battery, with the parameters determined from a pulse test performed on the battery and a curve-fitting algorithm by means of least-square regression. The whole battery cycle is classified into seven states where the SOC is estimated with the Ah-balance method and the proposed EMF based algorithm. Laboratory tests and results are described in detail in the paper.

  11. Kalman-variant estimators for state of charge in lithium-sulfur batteries

    Science.gov (United States)

    Propp, Karsten; Auger, Daniel J.; Fotouhi, Abbas; Longo, Stefano; Knap, Vaclav

    2017-03-01

    Lithium-sulfur batteries are now commercially available, offering high specific energy density, low production costs and high safety. However, there is no commercially-available battery management system for them, and there are no published methods for determining state of charge in situ. This paper describes a study to address this gap. The properties and behaviours of lithium-sulfur are briefly introduced, and the applicability of 'standard' lithium-ion state-of-charge estimation methods is explored. Open-circuit voltage methods and 'Coulomb counting' are found to have a poor fit for lithium-sulfur, and model-based methods, particularly recursive Bayesian filters, are identified as showing strong promise. Three recursive Bayesian filters are implemented: an extended Kalman filter (EKF), an unscented Kalman filter (UKF) and a particle filter (PF). These estimators are tested through practical experimentation, considering both a pulse-discharge test and a test based on the New European Driving Cycle (NEDC). Experimentation is carried out at a constant temperature, mirroring the environment expected in the authors' target automotive application. It is shown that the estimators, which are based on a relatively simple equivalent-circuit-network model, can deliver useful results. If the three estimators implemented, the unscented Kalman filter gives the most robust and accurate performance, with an acceptable computational effort.

  12. Self/anti-self charge conjugate states in the helicity basis

    CERN Document Server

    Dvoeglazov, Valeriy V

    2013-01-01

    We construct self/anti-self charge conjugate (Majorana-like) states for the (1/2,0)+(0,1/2) representation of the Lorentz group, and their analogs for higher spins within the quantum field theory. The problem of the basis rotations and that of the selection of phases in the Dirac-like and Majorana-like field operators are considered. The discrete symmetries properties (P, C, T) are studied. Particular attention has been paid to the question of (anti)commutation of the Charge conjugation operator and the Parity in the helicity basis. Dynamical equations have also been presented. In the (1/2,0)+(0,1/2) representation they obey the Dirac-like equation with eight components, which has been first introduced by Markov. Thus, the Fock space for corresponding quantum fields is doubled (as shown by Ziino). The chirality and the helicity for Dirac and Majorana states have been discussed. PACS: 11.30.Cp, 11.30.Er, 11.30.Ly Keywords: Lorentz Group, Neutral Particles, Helicity Basis

  13. A Lossy Counting-Based State of Charge Estimation Method and Its Application to Electric Vehicles

    Directory of Open Access Journals (Sweden)

    Hong Zhang

    2015-12-01

    Full Text Available Estimating the residual capacity or state-of-charge (SoC of commercial batteries on-line without destroying them or interrupting the power supply, is quite a challenging task for electric vehicle (EV designers. Many Coulomb counting-based methods have been used to calculate the remaining capacity in EV batteries or other portable devices. The main disadvantages of these methods are the cumulative error and the time-varying Coulombic efficiency, which are greatly influenced by the operating state (SoC, temperature and current. To deal with this problem, we propose a lossy counting-based Coulomb counting method for estimating the available capacity or SoC. The initial capacity of the tested battery is obtained from the open circuit voltage (OCV. The charging/discharging efficiencies, used for compensating the Coulombic losses, are calculated by the lossy counting-based method. The measurement drift, resulting from the current sensor, is amended with the distorted Coulombic efficiency matrix. Simulations and experimental results show that the proposed method is both effective and convenient.

  14. Variable Charge State Impurities in Coupled Kinetic Plasma-Kinetic Neutral Transport Simulations

    Science.gov (United States)

    Stotler, D. P.; Hager, R.; Kim, K.; Koskela, T.; Park, G.

    2015-11-01

    A previous version of the XGC0 neoclassical particle transport code with two fully stripped impurity species was used to study kinetic neoclassical transport in the DIII-D H-mode pedestal. To properly simulate impurities in the scrape-off layer and divertor and to account for radiative cooling, however, the impurity charge state distributions must evolve as the particles are transported into regions of different electron temperatures and densities. To do this, the charge state of each particle in XGC0 is included as a parameter in the list that represents the particle's location in phase space. Impurity ionizations and recombinations are handled with a dedicated collision routine. The associated radiative cooling is accumulated during the process and applied to the electron population later in the time step. The density profiles of the neutral impurities are simulated with the DEGAS 2 neutral transport code and then used as a background for electron impact ionization in XGC0 via a test particle Monte Carlo method analogous to that used for deuterium. This work supported by US DOE contracts DE-AC02-09CH11466.

  15. An upscaled two-equation model of transport in porous media through unsteady-state closure of volume averaged formulations

    Science.gov (United States)

    Chaynikov, S.; Porta, G.; Riva, M.; Guadagnini, A.

    2012-04-01

    We focus on a theoretical analysis of nonreactive solute transport in porous media through the volume averaging technique. Darcy-scale transport models based on continuum formulations typically include large scale dispersive processes which are embedded in a pore-scale advection diffusion equation through a Fickian analogy. This formulation has been extensively questioned in the literature due to its inability to depict observed solute breakthrough curves in diverse settings, ranging from the laboratory to the field scales. The heterogeneity of the pore-scale velocity field is one of the key sources of uncertainties giving rise to anomalous (non-Fickian) dispersion in macro-scale porous systems. Some of the models which are employed to interpret observed non-Fickian solute behavior make use of a continuum formulation of the porous system which assumes a two-region description and includes a bimodal velocity distribution. A first class of these models comprises the so-called ''mobile-immobile'' conceptualization, where convective and dispersive transport mechanisms are considered to dominate within a high velocity region (mobile zone), while convective effects are neglected in a low velocity region (immobile zone). The mass exchange between these two regions is assumed to be controlled by a diffusive process and is macroscopically described by a first-order kinetic. An extension of these ideas is the two equation ''mobile-mobile'' model, where both transport mechanisms are taken into account in each region and a first-order mass exchange between regions is employed. Here, we provide an analytical derivation of two region "mobile-mobile" meso-scale models through a rigorous upscaling of the pore-scale advection diffusion equation. Among the available upscaling methodologies, we employ the Volume Averaging technique. In this approach, the heterogeneous porous medium is supposed to be pseudo-periodic, and can be represented through a (spatially) periodic unit cell

  16. Search for light charged Higgs bosons in hadronic {tau} final states with the ATLAS detector

    Energy Technology Data Exchange (ETDEWEB)

    Ehrich, Thies

    2010-07-07

    Charged Higgs bosons are predicted in theories with a non-minimal Higgs sector like the Minimal Supersymmetric Extension of the Standard Model (MSSM). At the LHC, light charged Higgs Bosons might be produced in on-shell top quark decays t{yields} H{sup +}b, if m{sub H{sup {+-}}}states to suppress the backgrounds. The subject of this study is the estimation of the sensitivity of the ATLAS detector for charged Higgs boson searches in t anti t events. Leptons from the decay chain of the second top quark allow for efficient triggering. A search strategy is developed and estimates of signal significances and exclusion limits in the MSSM m{sub h}-max scenario are presented based on Monte Carlo simulations. For an integrated luminosity of 10 fb{sup -1}, the discovery of charged Higgs bosons is possible for tan{beta}>32. Exclusion limits are given for values of tan{beta}>17, significantly improving the current best limits from the Tevatron. The most important systematic uncertainties were found to be the errors on the jet energy scale and the missing transverse energy, resulting in a total systematic uncertainty of 40% on the signal. To reduce the systematic uncertainty for the most important Standard Model background, t anti t production, emphasis is put on estimating this background using data instead of Monte Carlo simulations. The t anti t background consists of two contributions, one with a correctly identified {tau}-jet in the final state, which is irreducible, and one where the hadronic {tau} decay is faked by a light parton jet. For each background a method has been developed to estimate its contribution with minimal use of Monte Carlo simulations. In this way, the systematic uncertainty on the background can be significantly reduced. (orig.)

  17. The origin of emissive states of carbon nanoparticles derived from ensemble-averaged and single-molecular studies.

    Science.gov (United States)

    Demchenko, Alexander P; Dekaliuk, Mariia O

    2016-08-01

    At present, there is no consensus understanding on the origin of photoluminescence of carbon nanoparticles, particularly the so-called carbon dots. Providing comparative analysis of spectroscopic studies in solution and on a single-molecular level, we demonstrate that these particles behave collectively as fixed single dipoles and probably are the quantum emitter entities. Their spectral and lifetime heterogeneity in solutions is explained by variation of the local chemical environment within and around luminescence centers. Hence, the carbon dots possess a unique hybrid combination of fluorescence properties peculiar to dye molecules, their conjugates and semiconductor nanocrystals. It is proposed that their optical properties are due to generation of H-aggregate-type excitonic states with their coherence spreading over the whole nanoparticles.

  18. The origin of emissive states of carbon nanoparticles derived from ensemble-averaged and single-molecular studies

    Science.gov (United States)

    Demchenko, Alexander P.; Dekaliuk, Mariia O.

    2016-07-01

    At present, there is no consensus understanding on the origin of photoluminescence of carbon nanoparticles, particularly the so-called carbon dots. Providing comparative analysis of spectroscopic studies in solution and on a single-molecular level, we demonstrate that these particles behave collectively as fixed single dipoles and probably are the quantum emitter entities. Their spectral and lifetime heterogeneity in solutions is explained by variation of the local chemical environment within and around luminescence centers. Hence, the carbon dots possess a unique hybrid combination of fluorescence properties peculiar to dye molecules, their conjugates and semiconductor nanocrystals. It is proposed that their optical properties are due to generation of H-aggregate-type excitonic states with their coherence spreading over the whole nanoparticles.

  19. A compact electron beam ion source with integrated Wien filter providing mass and charge state separated beams of highly charged ions.

    Science.gov (United States)

    Schmidt, M; Peng, H; Zschornack, G; Sykora, S

    2009-06-01

    A Wien filter was designed for and tested with a room temperature electron beam ion source (EBIS). Xenon charge state spectra up to the charge state Xe46+ were resolved as well as the isotopes of krypton using apertures of different sizes. The complete setup consisting of an EBIS and a Wien filter has a length of less than 1 m substituting a complete classical beamline setup. The Wien filter is equipped with removable permanent magnets. Hence total beam current measurements are possible via simple removal of the permanent magnets. In dependence on the needs of resolution a weak (0.2 T) or a strong (0.5 T) magnets setup can be used. In this paper the principle of operation and the design of the Wien filter meeting the requirements of an EBIS are briefly discussed. The first ion beam extraction and separation experiments with a Dresden EBIS are presented.

  20. Excited-state charge coupled proton transfer reaction in dipole-functionalized salicylideneaniline

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Kew-Yu, E-mail: kyuchen@fcu.edu.tw; Hu, Jiun-Wei

    2015-03-15

    Based on design and synthesis of salicylideneaniline derivatives 1–4, we demonstrate an exceedingly useful system to investigate the excited-state intramolecular charge transfer (ESICT) coupled with excited-state intramolecular proton transfer (ESIPT) reaction via the dipolar functionality of Schiff base salicylideneaniline. In solid and aprotic solvents 1–4 exist mainly as E conformers that possess a strong intramolecular six-membered-ring hydrogen bond. Compounds 2–4 exhibit solely a long-wavelength proton-transfer tautomer emission, while dipole-functionalized Schiff base 1 exhibits remarkable dual emission due to the different solvent-polarity environments between ESICT and ESIPT states. Moreover, the geometric structures, frontier molecular orbitals (MOs) and the potential energy curves for 1–4 in the ground and the first singlet excited state were fully rationalized by density functional theory (DFT) and time-dependent DFT calculations. - Highlights: • A dipole-functionalized salicylideneaniline derivative was synthesized. • The Schiff base exhibits remarkable dual emission. • A novel ESICT/ESIPT coupled system was created.

  1. State-of-charge estimation in lithium-ion batteries: A particle filter approach

    Science.gov (United States)

    Tulsyan, Aditya; Tsai, Yiting; Gopaluni, R. Bhushan; Braatz, Richard D.

    2016-11-01

    The dynamics of lithium-ion batteries are complex and are often approximated by models consisting of partial differential equations (PDEs) relating the internal ionic concentrations and potentials. The Pseudo two-dimensional model (P2D) is one model that performs sufficiently accurately under various operating conditions and battery chemistries. Despite its widespread use for prediction, this model is too complex for standard estimation and control applications. This article presents an original algorithm for state-of-charge estimation using the P2D model. Partial differential equations are discretized using implicit stable algorithms and reformulated into a nonlinear state-space model. This discrete, high-dimensional model (consisting of tens to hundreds of states) contains implicit, nonlinear algebraic equations. The uncertainty in the model is characterized by additive Gaussian noise. By exploiting the special structure of the pseudo two-dimensional model, a novel particle filter algorithm that sweeps in time and spatial coordinates independently is developed. This algorithm circumvents the degeneracy problems associated with high-dimensional state estimation and avoids the repetitive solution of implicit equations by defining a 'tether' particle. The approach is illustrated through extensive simulations.

  2. Fundamental studies of interfacial excited-state charge transfer in molecularly tethered semiconductor nanoassemblies

    Science.gov (United States)

    Youker, Diane Greer

    The research presented in this dissertation focuses on elucidating the parameters affecting dynamics and yield of electron transfer reactions in semiconducting nanoparticle assemblies through the use of time-resolved spectroscopy. In particular, the dissertation focuses on photoinduced electron injection in assemblies of CdSe, CdS, or PbS quantum dots covalently bound to either metal oxide films or each other through the use of bifunctional molecular linkers. Chapter 2 elucidates the influence of electronic coupling on excited-state electron transfer from CdS quantum dots to TiO2 nanoparticles via molecular linkers with phenylene bridges. We establish that the efficiency of electron injection from CdS quantum dots to TiO2 nanoparticle varies dramatically with electronic coupling, which can be controlled by tuning the properties of molecular linkers. Chapter 3 presents the role of excitation energy on interfacial electron transfer in tethered assemblies of CdSe quantum dots and TiO2 nanoparticles. Through this work, we determined that injection efficiency from band-edge states is independent of excitation energy. However, the efficiency of injection from trap-states decreases at lower-energy excitation. We attribute the decrease to a lower energy distribution of emissive trap-states from which injection is less efficient. Chapter 4 presents the observation of multiphasic electron injection dynamics from photoexcited PbS quantum dots to TiO2 nanoparticles. In this collaborative study with Dr. Masumoto from the University of Tsukuba we observed electron injection on multiple timescales. We determined that electron injection occurred in this system through two different mechanisms. The first involved injection from thermalized PbS excited states and the second through injection of hot electrons through Auger recombination of biexcitons that creates high lying excitonic states. Chapter 5 investigates charge transfer in covalently bound quantum dot assemblies. We utilize

  3. Manipulating the charge state and conductance of a single molecule on a semiconductor surface by electrostatic gating

    Science.gov (United States)

    Martinez-Blanco, Jesus; Nacci, Christophe; Erwin, Steven C.; Kanisawa, Kiyoshi; Locane, Elina; Thomas, Mark; von Oppen, Felix; Brouwer, Piet; Foelsch, Stefan

    2015-03-01

    We studied the charge state and tunneling conductance of single phthalocyanine molecules adsorbed on InAs(111)A using scanning tunneling microscopy (STM) at 5 K. On the InAs(111)A surface, native +1 charged indium adatoms can be repositioned by the STM tip using atom manipulation. This allows us to electrostatically gate an individual adsorbed molecule by placing charged adatoms nearby or, alternatively, by repositioning the molecule within the electrostatic potential landscape created by an STM-engineered adatom corral. By stepwise increasing the gating potential, the molecular charge state can be tuned from neutral to -1, as well as to bistable intermediate states. We find that the molecule changes its orientational conformation when the charge state is switched. Scanning tunneling spectroscopy measurements reveal that the conductance gap of the single-molecule tunneling junction can be precisely controlled by the electrostatic gating. We discuss the observed gating-dependent single-molecule tunneling conductance in terms of charge transport through a gated quantum dot. Granted by the German Research Foundation (FO 362/4-1; SFB 658).

  4. First Use of High Charge States for Mass Measurements of Short-lived Nuclides in a Penning Trap

    CERN Document Server

    Ettenauer, S; Gallant, A T; Brunner, T; Chowdhury, U; Simon, V V; Brodeur, M; Chaudhuri, A; Mané, E; Andreoiu, C; Audi, G; López-Urrutia, J R Crespo; Delheij, P; Gwinner, G; Lapierre, A; Lunney, D; Pearson, M R; Ringle, R; Ullrich, J; Dilling, J

    2011-01-01

    Penning trap mass measurements of short-lived nuclides have been performed for the first time with highly-charged ions (HCI), using the TITAN facility at TRIUMF. Compared to singly-charged ions, this provides an improvement in experimental precision that scales with the charge state q. Neutron-deficient Rb-isotopes have been charge bred in an electron beam ion trap to q = 8 - 12+ prior to injection into the Penning trap. In combination with the Ramsey excitation scheme, this unique setup creating low energy, highly-charged ions at a radioactive beam facility opens the door to unrivalled precision with gains of 1-2 orders of magnitude. The method is particularly suited for short-lived nuclides such as the superallowed {\\beta} emitter 74Rb (T1/2 = 65 ms). The determination of its atomic mass and an improved QEC-value are presented.

  5. Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

    Science.gov (United States)

    Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura

    2015-08-11

    The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

  6. State of Charge Estimation Based on Microscopic Driving Parameters for Electric Vehicle's Battery

    Directory of Open Access Journals (Sweden)

    Enjian Yao

    2013-01-01

    Full Text Available Recently, battery-powered electric vehicle (EV has received wide attention due to less pollution during use, low noise, and high energy efficiency and is highly expected to improve urban air quality and then mitigate energy and environmental pressure. However, the widespread use of EV is still hindered by limited battery capacity and relatively short cruising range. This paper aims to propose a state of charge (SOC estimation method for EV’s battery necessary for route planning and dynamic route guidance, which can help EV drivers to search for the optimal energy-efficient routes and to reduce the risk of running out of electricity before arriving at the destination or charging station. Firstly, by analyzing the variation characteristics of power consumption rate with initial SOC and microscopic driving parameters (instantaneous speed and acceleration, a set of energy consumption rate models are established according to different operation modes. Then, the SOC estimation model is proposed based on the presented EV power consumption model. Finally, by comparing the estimated SOC with the measured SOC, the proposed SOC estimation method is proved to be highly accurate and effective, which can be well used in EV route planning and navigation systems.

  7. Estimating the state of charge of MH-Ni batteries by measuring their stable internal pressure

    Science.gov (United States)

    Zhang, Jian; Shao, Guangjie; Guo, Weiwen; Lou, Yuwan; Xia, Baojia

    2017-03-01

    Nickel metal hydride (MH-Ni) batteries are widely used in hybrid electric vehicles (HEVs). Estimating a battery's state of charge (SOC) remains challenging in practical applications, and it is also the core technology. Because MH-Ni batteries exhibit high rates of self-discharge and have flat and broad charge-discharge voltage plateaus, the estimation of their SOC through their voltage, current, internal resistance, and temperature is not accurate and has a large cumulative error. In this study, a new method for estimating SOC based on battery's stable internal pressure is proposed using the one-to-one correspondence between the hydrogen equilibrium pressure and the reversible hydrogen-storage capacity described by the pressure-concentration-isotherm (P-C-T) curves of hydrogen storage alloys. The actual SOC and the stable internal pressure of the battery have a one-to-one correspondence after the battery was stored at different temperatures and SOCs, and this relationship is maintained after different cycling number and after four years of storage.

  8. Gap state charge induced spin-dependent negative differential resistance in tunnel junctions

    Science.gov (United States)

    Jiang, Jun; Zhang, X.-G.; Han, X. F.

    2016-04-01

    We propose and demonstrate through first-principles calculation a new spin-dependent negative differential resistance (NDR) mechanism in magnetic tunnel junctions (MTJ) with cubic cation disordered crystals (CCDC) AlO x or Mg1-x Al x O as barrier materials. The CCDC is a class of insulators whose band gap can be changed by cation doping. The gap becomes arched in an ultrathin layer due to the space charge formed from metal-induced gap states. With an appropriate combination of an arched gap and a bias voltage, NDR can be produced in either spin channel. This mechanism is applicable to 2D and 3D ultrathin junctions with a sufficiently small band gap that forms a large space charge. It provides a new way of controlling the spin-dependent transport in spintronic devices by an electric field. A generalized Simmons formula for tunneling current through junction with an arched gap is derived to show the general conditions under which ultrathin junctions may exhibit NDR.

  9. State of Charge Estimation of Lithium-Ion Batteries Using an Adaptive Cubature Kalman Filter

    Directory of Open Access Journals (Sweden)

    Bizhong Xia

    2015-06-01

    Full Text Available Accurate state of charge (SOC estimation is of great significance for a lithium-ion battery to ensure its safe operation and to prevent it from over-charging or over-discharging. However, it is difficult to get an accurate value of SOC since it is an inner sate of a battery cell, which cannot be directly measured. This paper presents an Adaptive Cubature Kalman filter (ACKF-based SOC estimation algorithm for lithium-ion batteries in electric vehicles. Firstly, the lithium-ion battery is modeled using the second-order resistor-capacitor (RC equivalent circuit and parameters of the battery model are determined by the forgetting factor least-squares method. Then, the Adaptive Cubature Kalman filter for battery SOC estimation is introduced and the estimated process is presented. Finally, two typical driving cycles, including the Dynamic Stress Test (DST and New European Driving Cycle (NEDC are applied to evaluate the performance of the proposed method by comparing with the traditional extended Kalman filter (EKF and cubature Kalman filter (CKF algorithms. Experimental results show that the ACKF algorithm has better performance in terms of SOC estimation accuracy, convergence to different initial SOC errors and robustness against voltage measurement noise as compared with the traditional EKF and CKF algorithms.

  10. Charge trapping phenomena of tetraethylorthosilicate thin film containing Si nanocrystals synthesized by solid-state reaction.

    Science.gov (United States)

    Lau, H W; Tan, O K; Liu, Y; Trigg, D A; Chen, T P

    2006-08-28

    In this work, we report on the fabrication of tetraethylorthosilicate (TEOS) thin dielectric film containing silicon nanocrystals (Si nc), synthesized by solid-state reaction, in a capacitor structure. A metal-insulator-semi-conductor (MIS) capacitor, with 28 nm thick Si nc in a TEOS thin film, has been fabricated. For this MIS, both electron and hole trapping in the Si nc are possible, depending on the polarity of the bias voltage. A V(FB) shift greater than 1 V can be experienced by a bias voltage of 16 V applied to the metal electrode for 1 s. Though there is no top control oxide, the discharge time for 10% of charges can be up to 4480 s when it is biased at 16 V for 1 s. It is further demonstrated that charging and discharging mechanisms are due to the Si nc rather than the TEOS oxide defects. This form of Si nc in a TEOS thin film capacitor provides the possibility of memory applications at low cost.

  11. Single-sheet identification method of heavy charged particles using solid state nuclear track detectors

    Indian Academy of Sciences (India)

    M F Zaki; A Abdel-Naby; A Ahmed Morsy

    2007-08-01

    The theoretical and experimental investigations of the penetration of charged particles in matter played a very important role in the development of modern physics. Solid state nuclear track detectors have become one of the most important tools for many branches of science and technology. An attempt has been made to examine the suitability of the single-sheet particle identification technique in CR-39 and CN-85 polycarbonate by plotting track cone length vs. residual range for different heavy ions in these detectors. So, the maximum etchable ranges of heavy ions such as 93Nb, 86Kr and 4He in CR-39 and 4He and 132Xe in CN-85 polycarbonate have been determined. The ranges of these ions in these detectors have also been computed theoretically using the Henke–Benton program. A reasonably good agreement has been observed between the experimentally and theoretically computed values.

  12. Prediction Model of Battery State of Charge and Control Parameter Optimization for Electric Vehicle

    Directory of Open Access Journals (Sweden)

    Bambang Wahono

    2015-07-01

    Full Text Available This paper presents the construction of a battery state of charge (SOC prediction model and the optimization method of the said model to appropriately control the number of parameters in compliance with the SOC as the battery output objectives. Research Centre for Electrical Power and Mechatronics, Indonesian Institute of Sciences has tested its electric vehicle research prototype on the road, monitoring its voltage, current, temperature, time, vehicle velocity, motor speed, and SOC during the operation. Using this experimental data, the prediction model of battery SOC was built. Stepwise method considering multicollinearity was able to efficiently develops the battery prediction model that describes the multiple control parameters in relation to the characteristic values such as SOC. It was demonstrated that particle swarm optimization (PSO succesfully and efficiently calculated optimal control parameters to optimize evaluation item such as SOC based on the model.

  13. MOS Capacitance-Voltage Characteristics Ⅲ.Trapping Capacitance from 2-Charge-State Impurities

    Institute of Scientific and Technical Information of China (English)

    Jie Binbin; Sah Chihtang

    2011-01-01

    Low-frequency and high-frequency capacitance-voltage curves of Metal-Oxide-Semiconductor Capacitors are presented to illustrate giant electron and hole trapping capacitances at many simultaneously present two-charge-state and one-trapped-carrier,or one-energy-level impurity species.Models described include a donor electron trap and an acceptor hole trap,both donors,both acceptors,both shallow energy levels,both deep,one shallow and one deep,and the identical donor and acceptor.Device and material parameters are selected to simulate chemically and physically realizable capacitors for fundamental trapping parameter characterizations and for electrical and optical signal processing applications.

  14. Charge states of a hydrogen defect (3326 cm{sup -1} line) in ZnO

    Energy Technology Data Exchange (ETDEWEB)

    Herklotz, F., E-mail: frank.herklotz@gmx.de [Technische Universitaet Dresden, 01062 Dresden (Germany); Lavrov, E.V.; Weber, J. [Technische Universitaet Dresden, 01062 Dresden (Germany)

    2012-08-01

    The hydrogen defect in ZnO that gives rise to a local vibrational mode at 3326 cm{sup -1} is investigated by means of IR absorption. Sub-band gap illumination results in the appearance of a new line at 3358 cm{sup -1} at the expense of the 3326 cm{sup -1} signal. The measurements identify both IR absorption signals as O-H stretch modes of the same defect in different charge states. The effect of the sub-band gap light strongly suggest that this defect has a deep level in the band gap. Additionally, results on the thermal stability of the 3326 cm{sup -1} feature are presented.

  15. Electric vehicle state of charge estimation: Nonlinear correlation and fuzzy support vector machine

    Science.gov (United States)

    Sheng, Hanmin; Xiao, Jian

    2015-05-01

    The aim of this study is to estimate the state of charge (SOC) of the lithium iron phosphate (LiFePO4) battery pack by applying machine learning strategy. To reduce the noise sensitive issue of common machine learning strategies, a kind of SOC estimation method based on fuzzy least square support vector machine is proposed. By applying fuzzy inference and nonlinear correlation measurement, the effects of the samples with low confidence can be reduced. Further, a new approach for determining the error interval of regression results is proposed to avoid the control system malfunction. Tests are carried out on modified COMS electric vehicles, with two battery packs each consists of 24 50 Ah LiFePO4 batteries. The effectiveness of the method is proven by the test and the comparison with other popular methods.

  16. Ionization and bound-state relativistic quantum dynamics in laser-driven multiply charged ions

    Energy Technology Data Exchange (ETDEWEB)

    Hetzheim, Henrik

    2009-01-14

    The interaction of ultra-strong laser fields with multiply charged hydrogen-like ions can be distinguished in an ionization and a bound dynamics regime. Both are investigated by means of numerically solving the Dirac equation in two dimensions and by a classical relativistic Monte-Carlo simulation. For a better understanding of highly nonlinear physical processes the development of a well characterized ultra-intense relativistic laser field strength has been driven forward, capable of studying e.g. the magnetic field effects of the laser resulting in an additional electron motion in the laser propagation direction. A novel method to sensitively measure these ultra-strong laser intensities is developed and employed from the optical via the UV towards the XUV frequency regime. In the bound dynamics field, the determination of multiphoton transition matrixelements has been investigated between different bound states via Rabi oscillations. (orig.)

  17. Space Charge Layer Effect in Solid State Ion Conductors and Lithium Batteries: Principle and Perspective.

    Science.gov (United States)

    Chen, Cheng; Guo, Xiangxin

    2016-01-01

    The space charge layer (SCL) effects were initially developed to explain the anomalous conductivity enhancement in composite ionic conductors. They were further extended to qualitatively as well as quantitatively understand the interfacial phenomena in many other ionic-conducting systems. Especially in nanometre-scale systems, the SCL effects could be used to manipulate the conductivity and construct artificial conductors. Recently, existence of such effects either at the electrolyte/cathode interface or at the interfaces inside the composite electrode in all solid state lithium batteries (ASSLB) has attracted attention. Therefore, in this article, the principle of SCL on basis of defect chemistry is first presented. The SCL effects on the carrier transport and storage in typical conducting systems are reviewed. For ASSLB, the relevant effects reported so far are also reviewed. Finally, the perspective of interface engineer related to SCL in ASSLB is addressed.

  18. Battery pack state of charge balancing algorithm for cascaded H-Bridge multilevel converters

    DEFF Research Database (Denmark)

    Máthé, Lászlo; Burlacu, Paul Dan; Schaltz, Erik

    2016-01-01

    For most of the Multilevel Converter (MC) applications a commonly discussed issue is the maintenance of balance between the energy storage elements from the SubModules (SM). In applications where a battery pack is also part of the SM storage, such as STATCOMs or motor drives, the SM voltage...... is not in linear relation with the State Of Charge (SOC) of the entire battery; thus, the balancing becomes more cumbersome. A method to balance the SOC of the battery packs in a system using cascaded H-Bridge is proposed in this paper. The method uses nearest level control followed by sorting and selection based...... on the SOC of the battery packs. Based on the simulation results the number of switching is reduced considerably compared to the method where the phase shifted PWM is used. In addition, the time needed to achieve the balanced SOC is also reduced. The proposed method has been verified through experiments...

  19. Multi-band reflectance spectroscopy of carbonaceous lithium iron phosphate battery electrodes versus state of charge

    Science.gov (United States)

    Norris, R.; Iyer, K.; Chabot, V.; Nieva, P.; Yu, A.; Khajepour, A.; Wang, J.

    2014-03-01

    This study aims to expand the body of knowledge about the optical properties of battery cathode materials. Although some studies have been conducted on the optical properties of Lithium Iron Phosphate (LiFePO4), to the authors' knowledge, this is the first study of its kind on electrodes extracted from commercially available LiFePO4 batteries. The use of Vis/NIR and FTIR spectroscopy provides for a methodology to study the optical properties of LiFePO4 and may allow for the characterization of other properties such as particle size and the proportions of LiFePO4 versus FePO4 material. Knowledge of these properties is important for the development of a mechanism to measure the state-of charge (SOC) in lithium ion batteries. These properties are also important in a host of other applications including battery modeling and materials characterization. Cylindrical LiFePO4 batteries (from A123 Systems Inc.) were acquired from the commercial market and charged to 10 different states between 30% and 80% of their nominal capacity using a constant-current, constant-voltage (CCCV) cycling method. Visual inspection of the extracted electrodes shows that the LiFePO4/C-cathodes display subtle changes in color (shades of grey) with respect to SOC. Vis/NIR measurements support the visual observation of uniform intensity variations versus SOC. FTIR measurements show an absorbance signature that varies with SOC and is distinct from results found in the literature for similar LiFePO4-based material systems, supporting the uniqueness of the absorbance fingerprint.

  20. Multiple charge density wave states at the surface of TbT e3

    Science.gov (United States)

    Fu, Ling; Kraft, Aaron M.; Sharma, Bishnu; Singh, Manoj; Walmsley, Philip; Fisher, Ian R.; Boyer, Michael C.

    2016-11-01

    We studied TbT e3 using scanning tunneling microscopy (STM) in the temperature range of 298-355 K. Our measurements detect a unidirectional charge density wave (CDW) state in the surface Te layer with a wave vector consistent with that of the bulk qCDW=0.30 ±0.01 c* . However, unlike previous STM measurements, and differing from measurements probing the bulk, we detect two perpendicular orientations for the unidirectional CDW with no directional preference for the in-plane crystal axes (a or c axis) and no noticeable difference in wave vector magnitude. In addition, we find regions in which the bidirectional CDW states coexist. We propose that observation of two unidirectional CDW states indicates a decoupling of the surface Te layer from the rare-earth block layer below, and that strain variations in the Te surface layer drive the local CDW direction to the specific unidirectional or, in rare occurrences, bidirectional CDW orders observed. This indicates that similar driving mechanisms for CDW formation in the bulk, where anisotropic lattice strain energy is important, are at play at the surface. Furthermore, the wave vectors for the bidirectional order we observe differ from those theoretically predicted for checkerboard order competing with stripe order in a Fermi-surface nesting scenario, suggesting that factors beyond Fermi-surface nesting drive CDW order in TbT e3 . Finally, our temperature-dependent measurements provide evidence for localized CDW formation above the bulk transition temperature TCDW.

  1. Valence states and possible charge ordering in LaCo(1-x)Rh(x)O₃.

    Science.gov (United States)

    Streltsov, Sergey V; Gapontsev, Vladimir V; Khomskii, Daniel I

    2016-03-01

    An unusual effect was discovered in Li et al (2010 J. Solid State Chem. 183 1388): the substitution of nonmagnetic low-spin Co(3+) in LaCoO3 by the formally isoelectronic and also nonmagnetic Rh(3+) led, surprisingly, to a rapid appearance of magnetism in LaCo(1-x)Rh(x)O3, even for small amounts of doping. Different explanations for this effect were proposed in the literature. To clarify the situation we carried out unbiased ab initio calculations of this system. We concluded that, in agreement with the original assumption of Li et al, but in contrast with later statements (Knizek et al 2012 Phys. Rev. B 85 134401), this effect is caused by the valence change ('redox reaction') Co(3+) +  Rh(3+) → Co(2+) +  Rh(4+), which creates magnetic Co(2+) and Rh(4+) ions. For the half-filled case LaCo1/2Rh1/2O3 we obtained the state with charge ordering of Co(2+) and Rh(4+) ions, which according to our calculations are antiferromagnetically coupled. The obtained results reasonably explain the observed behavior of the magnetic susceptibility of LaCo(1-x)Rh(x)O3, and the novel state predicted at half-doping could be verified experimentally by detailed structural and magnetic studies and by x-ray absorption spectroscopy.

  2. Valence states and possible charge ordering in LaCo1-x Rh x O3

    Science.gov (United States)

    Streltsov, Sergey V.; Gapontsev, Vladimir V.; Khomskii, Daniel I.

    2016-03-01

    An unusual effect was discovered in Li et al (2010 J. Solid State Chem. 183 1388): the substitution of nonmagnetic low-spin Co3+ in LaCoO3 by the formally isoelectronic and also nonmagnetic Rh3+ led, surprisingly, to a rapid appearance of magnetism in LaCo1-x Rh x O3, even for small amounts of doping. Different explanations for this effect were proposed in the literature. To clarify the situation we carried out unbiased ab initio calculations of this system. We concluded that, in agreement with the original assumption of Li et al, but in contrast with later statements (Knizek et al 2012 Phys. Rev. B 85 134401), this effect is caused by the valence change (’redox reaction’) Co3+   +  Rh3+ \\to Co2+   +  Rh4+ , which creates magnetic Co2+ and Rh4+ ions. For the half-filled case LaCo1/2Rh1/2O3 we obtained the state with charge ordering of Co2+ and Rh4+ ions, which according to our calculations are antiferromagnetically coupled. The obtained results reasonably explain the observed behavior of the magnetic susceptibility of LaCo1-x Rh x O3, and the novel state predicted at half-doping could be verified experimentally by detailed structural and magnetic studies and by x-ray absorption spectroscopy.

  3. A new method of modeling and state of charge estimation of the battery

    Science.gov (United States)

    Liu, Congzhi; Liu, Weiqun; Wang, Lingyan; Hu, Guangdi; Ma, Luping; Ren, Bingyu

    2016-07-01

    Accurately estimating the State of Charge (SOC) of the battery is the basis of Battery Management System (BMS). This paper has introduced a new modeling and state estimation method for the lithium battery system, which utilizes the fractional order theories. Firstly, a fractional order model based on the PNGV (Partnership for a New Generation of Vehicle) model is proposed after analyzing the impedance characteristics of the lithium battery and compared with the integer order model. With the observability of the discrete non-linear model of the battery confirmed, the method of the state observer based on the extended fractional Kalman filter (EFKF) and the least square identification method of battery parameters are studied. Then, it has been applied successfully to estimate the battery SOC using the measured battery current and voltage. Finally, a standard HPPC (Hybrid Pulse Power Characteristic) test is used for parameter identification and several experimental validations are investigated on a ternary manganese-nickel-cobalt lithium battery pack with a nominal capacity of 24 Ah which consists of ten Sony commercial cells (US18650GR G7) in parallels. The results demonstrate the effectiveness of the fractional order model and the estimation method.

  4. Adding high time resolution to charge-state-specific ion energy measurements for pulsed copper vacuum arc plasmas

    CERN Document Server

    Tanaka, Koichi; Zhou, Xue; Anders, André

    2015-01-01

    Charge-state-resolved ion energy-time-distributions of pulsed Cu arc plasma were obtained by using direct (time dependent) acquisition of the ion detection signal from a commercial ion mass-per-charge and energy-per-charge analyzer. We find a shift of energies of Cu2+, Cu3+ and Cu4+ ions to lower values during the first few hundred microseconds after arc ignition, which is evidence for particle collisions in the plasma. The generation of Cu1+ ions in the later part of the pulse, measured by the increase of Cu1+ signal intensity and an associated slight reduction of the mean charge state point to charge exchange reactions between ions and neutrals. At the very beginning of the pulse, when the plasma expands into vacuum and the plasma potential strongly fluctuates, ions with much higher energy (over 200 eV) were observed. Early in the pulse, the ion energies observed are approximately proportional to the ion charge state, and we conclude that the acceleration mechanism is primarily based on acceleration in an e...

  5. The charge percolation mechanism and simulation of Ziegler–Natta polymerizations Part III. Oxidation states of transition metals

    Directory of Open Access Journals (Sweden)

    BRANKA PILIC

    2006-04-01

    Full Text Available The oxidation state of the transition metal (Mt active centre is the most disputable question in the polymerization of olefins by Ziegler–Natta (ZN and metallocene complexes. In this paper the importance and the changes of the Mt active centres are presented and discussed on the basis of a charge percolation mechanism (CPM of olefin polymerization. Mt atoms can exist in different oxidation states and can be easily transformed from one to another state during activation. In all cases, the Mt atoms are present in several oxidation states, i.e., Mt+(n-1, Mt+(n to Mt+(n+1, producing an irregular charge distribution over the support surface. There is a tendency to equalize the oxidation states by a charge transfer from Mt+(n–1 (donor toMt+(n+1 (acceptor. This cannot occur since the different oxidation states are highly separated on the support. However, monomer molecules are adsorbed on the support producing clusters with stacked p-bonds, making a p-bond bridge between a donor and an acceptor. Once a bridge is formed (percolation moment, charge transfer occurs. The donor and acceptor equalize their oxidation states simultaneously with the polymerization of the monomer. The polymer chain is desorbed from the support, freeing the surface for subsequent monomer adsorption. The whole process is repeated with the oxidation-reduction of other donor-acceptor ensembles.

  6. Valence state parameters of all transition metal atoms in metalloproteins--development of ABEEMσπ fluctuating charge force field.

    Science.gov (United States)

    Yang, Zhong-Zhi; Wang, Jian-Jiang; Zhao, Dong-Xia

    2014-09-05

    To promote accuracy of the atom-bond electronegativity equalization method (ABEEMσπ) fluctuating charge polarizable force fields, and extend it to include all transition metal atoms, a new parameter, the reference charge is set up in the expression of the total energy potential function. We select over 700 model molecules most of which model metalloprotein molecules that come from Protein Data Bank. We set reference charges for different apparent valence states of transition metals and calibrate the parameters of reference charges, valence state electronegativities, and valence state hardnesses for ABEEMσπ through linear regression and least square method. These parameters can be used to calculate charge distributions of metalloproteins containing transition metal atoms (Sc-Zn, Y-Cd, and Lu-Hg). Compared the results of ABEEMσπ charge distributions with those obtained by ab initio method, the quite good linear correlations of the two kinds of charge distributions are shown. The reason why the STO-3G basis set in Mulliken population analysis for the parameter calibration is specially explained in detail. Furthermore, ABEEMσπ method can also quickly and quite accurately calculate dipole moments of molecules. Molecular dynamics optimizations of five metalloproteins as the examples show that their structures obtained by ABEEMσπ fluctuating charge polarizable force field are very close to the structures optimized by the ab initio MP2/6–311G method. This means that the ABEEMσπ/MM can now be applied to molecular dynamics simulations of systems that contain metalloproteins with good accuracy.

  7. Magnon-phonon coupling and implications for charge-density wave states and superconductivity in cuprates

    Science.gov (United States)

    Struzhkin, Viktor V.; Chen, Xiao-Jia

    2016-10-01

    The mechanism of high-temperature superconductivity of copper oxides (cuprates) remains unsolved puzzle in condensed matter physics. The cuprates represent extremely complicated system, showing fascinating variety of quantum phenomena and rich phase diagram as a function of doping. In the suggested "superconducting glue" mechanisms, phonon and spin excitations are invoked most frequently, and it appears that only spin excitations cover the energy scale required to justify very high transition temperature Tc ˜ 165 K (as in mercury-based triple layer cuprates compressed to 30 GPa). It appears that pressure is quite important variable helping to boost the Tc record by almost 30°. Pressure may be also considered as a clean tuning parameter, helping to understand the underlying balance of various energy scales and ordered states in cuprates. In this paper, a review of mostly our work on cuprates under pressure will be given, with the emphasis on the interactions between phonon and spin excitations. It appears that there is a strong coupling between superexchange interaction and stretching in-plane oxygen vibrations, which may give rise to a variety of complex phenomena, including the charge-density wave state intertwined with superconductivity and attracting a lot of interest recently.

  8. Mid-infrared conductivity from mid-gap states associated with charge stripes

    Science.gov (United States)

    Homes, C. C.; Tranquada, J. M.; Li, Q.; Moodenbaugh, A. R.; Buttrey, D. J.

    2003-05-01

    The optical conductivity of La2-xSrxNiO4 has been interpreted in various ways, but so far the proposed interpretations have neglected the fact that the holes doped into the NiO2 planes order in diagonal stripes, as established by neutron and x-ray scattering. Here we present a study of optical conductivity in La2NiO4+δ with δ=2/15, a material in which the charge stripes order three dimensionally. We show that the conductivity can be decomposed into two components, a mid-infrared peak that we attribute to transitions from the filled valence band into empty mid-gap states associated with the stripes, and a Drude peak that appears at higher temperatures as carriers are thermally excited into the mid-gap states. The shift of the mid-IR peak to lower energy with increasing temperature is explained in terms of the Franck-Condon effect. The relevance of these results to understanding the optical conductivity in the cuprates is discussed.

  9. Local state-of-charge mapping of lithium-ion battery electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Nanda, Jagjit [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN (United States); Remillard, Jeffrey; O' Neill, Ann; Bernardi, Dawn; Ro, Tina; Nietering, Kenneth E.; Miller, Ted J. [Research and Advanced Engineering, Ford Motor Co., Dearborn, MI (United States); Go, Joo-Young [SB LiMotive, R and D Team, Gyeonggi-do (Korea, Republic of)

    2011-09-09

    Current lithium-ion battery technology is gearing towards meeting the robust demand of power and energy requirements for all-electric transportation without compromising on the safety, performance, and cycle life. The state-of-charge (SOC) of a Li-ion cell can be a macroscopic indicator of the state-of-health of the battery. The microscopic origin of the SOC relates to the local lithium content in individual electrode particles and the effective ability of Li-ions to transport or shuttle between the redox couples through the cell geometric boundaries. Herein, micrometer-resolved Raman mapping of a transition-metal-based oxide positive electrode, Li{sub 1-x}(Ni{sub y}Co{sub z}Al{sub 1-y-z})O{sub 2}, maintained at different SOCs, is shown. An attempt has been made to link the underlying changes to the composition and structural integrity at the individual particle level. Furthermore, an SOC distribution at macroscopic length scale of the electrodes is presented. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Ideal charge-density-wave order in the high-field state of superconducting YBCO

    Science.gov (United States)

    Jang, H.; Lee, W.-S.; Nojiri, H.; Matsuzawa, S.; Yasumura, H.; Nie, L.; Maharaj, A. V.; Gerber, S.; Liu, Y.-J.; Mehta, A.; Bonn, D. A.; Liang, R.; Hardy, W. N.; Burns, C. A.; Islam, Z.; Song, S.; Hastings, J.; Devereaux, T. P.; Shen, Z.-X.; Kivelson, S. A.; Kao, C.-C.; Zhu, D.; Lee, J.-S.

    2016-12-01

    The existence of charge-density-wave (CDW) correlations in cuprate superconductors has now been established. However, the nature of the CDW ground state has remained uncertain because disorder and the presence of superconductivity typically limit the CDW correlation lengths to only a dozen unit cells or less. Here we explore the field-induced 3D CDW correlations in extremely pure detwinned crystals of YBa2Cu3O2 (YBCO) ortho-II and ortho-VIII at magnetic fields in excess of the resistive upper critical field (Hc2Hc2) where superconductivity is heavily suppressed. We observe that the 3D CDW is unidirectional and possesses a long in-plane correlation length as well as significant correlations between neighboring CuO2 planes. It is significant that we observe only a single sharply defined transition at a critical field proportional to Hc2Hc2, given that the field range used in this investigation overlaps with other high-field experiments including quantum oscillation measurements. The correlation volume is at least two to three orders of magnitude larger than that of the zero-field CDW. This is by far the largest CDW correlation volume observed in any cuprate crystal and so is presumably representative of the high-field ground state of an “ideal” disorder-free cuprate.

  11. Evaluation of Model Based State of Charge Estimation Methods for Lithium-Ion Batteries

    Directory of Open Access Journals (Sweden)

    Zhongyue Zou

    2014-08-01

    Full Text Available Four model-based State of Charge (SOC estimation methods for lithium-ion (Li-ion batteries are studied and evaluated in this paper. Different from existing literatures, this work evaluates different aspects of the SOC estimation, such as the estimation error distribution, the estimation rise time, the estimation time consumption, etc. The equivalent model of the battery is introduced and the state function of the model is deduced. The four model-based SOC estimation methods are analyzed first. Simulations and experiments are then established to evaluate the four methods. The urban dynamometer driving schedule (UDDS current profiles are applied to simulate the drive situations of an electrified vehicle, and a genetic algorithm is utilized to identify the model parameters to find the optimal parameters of the model of the Li-ion battery. The simulations with and without disturbance are carried out and the results are analyzed. A battery test workbench is established and a Li-ion battery is applied to test the hardware in a loop experiment. Experimental results are plotted and analyzed according to the four aspects to evaluate the four model-based SOC estimation methods.

  12. How to construct self/anti-self charge conjugate states for higher spins?

    CERN Document Server

    Dvoeglazov, Valeriy V

    2012-01-01

    We construct self/anti-self charge conjugate (Majorana-like) states for the (1/2, 0)+(0, 1/2) representation of the Lorentz group, and their analogs for higher spins within the quantum field theory. The problem of the basis rotations and that of the selection of phases in the Dirac-like and Majorana-like field operators are considered. The discrete symmetries properties (P, C, T) are studied. The corresponding dynamical equations are presented. In the (1/2, 0)+(0, 1/2) representation they obey the Dirac-like equation with eight components, which has been first introduced by Markov. Thus, the Fock space for corresponding quantum fields is doubled (as shown by Ziino). The particular attention has been paid to the questions of chirality and helicity (two concepts which are frequently confused in the literature) for Dirac and Majorana states. We further review several experimental consequences which follow from the previous works of M.Kirchbach et al. on neutrinoless double beta decay, and G.J.Ni et al. on meson ...

  13. Proton-transfer mediated quenching of pyrene/indole charge-transfer states in isooctane solutions.

    Science.gov (United States)

    Altamirano, Marcela S; Bohorquez, María del Valle; Previtali, Carlos M; Chesta, Carlos A

    2008-01-31

    The fluorescence quenching of pyrene (Py) by a series of N-methyl and N-H substituted indoles was studied in isooctane at 298 K. The fluorescence quenching rate constants were evaluated by mean of steady-state and time-resolved measurements. In all cases, the quenching process involves a charge-transfer (CT) mechanism. The I(o)/I and tau(o)/tau Stern-Volmer plots obtained for the N-H indoles show a very unusual upward deviation with increasing concentration of the quenchers. This behavior is attributed to the self-quenching of the CT intermediates by the free indoles in solution. The efficiency of quenching of the polyaromatic by the N-H indoles increases abruptly in the presence of small amount of added pyridine (or propanol). A detailed analysis of the experimental data obtained in the presence of pyridine provides unambiguous evidence that the self-quenching process involves proton transfer from the CT states to indoles.

  14. Charge transfer and triplet states in OPV materials and devices (Presentation Recording)

    Science.gov (United States)

    Dyakonov, Vladimir

    2015-10-01

    Electron back transfer (EBT), potentially occurring after electron transfer from donor to acceptor may populate the lower lying donor or acceptor triplet state and serve as recombination channel.[1] Here we report on studies of charge transfer and triplet states in blends of highly efficient benzodithiophene PTB7 polymer in combination with the fullerene-derivative PC71BM using the spin sensitive optically detected magnetic resonance (ODMR) technique and compare the results with those obtained in P3HT (poly(3- hexylthiophene):PC61BM blends. Although PTB7:PC71BM absorbers yield much higher power conversion efficiencies in solar cells exceeding 7%, we found a significant increase of triplet exciton generation, which was absent in the P3HT based blends. We discuss this observation within the EBT scenario with the emphasis on the influence of morphology, fullerene load, HOMO/LUMO energy and presence of additives (DIO). Suppressing the EBT process by morphology and/or energetics of polymer and molecules is important to achieve the full potential of highly efficient OPV materials. [1] M. Liedtke, et al., JACS 133, 9088 (2011).

  15. Probing of Charge Transfer States at Buried Organic Interfaces with Even-Order Spectroscopy

    Science.gov (United States)

    Pandey, Ravindra; Moon, Aaron; Roberts, Sean

    Organic thin film photovoltaics (OPV) are an emerging economically competitive technology that combines manufacturing adaptability, low-cost processing and a lightweight, flexible device end-product. At junctions formed between organic electron-donating and electron-accepting materials, the abrupt change in the dielectric properties can strongly perturb the density of states of the OPV. This can substantially alter the driving force for charge transfer between these materials. Electronic Sum Frequency Generation (ESFG), owing to its inherent interfacial sensitivity, is ideally suited to probe buried interfaces. Here, we report the ESFG spectra of Copper Phthalocyanine (CuPc) films, deposited on SiO2 measured for both reflection and transmission geometries. Three peaks are observed that roughly correlate with resonances that comprise CuPc's Q-band absorption but display slight shifts and amplitude changes with respect to CuPc's bulk absorption spectrum. Experimental results are compared with calculations based on a thin film interference model that accounts for ESFG emitted from both the CuPc:Air and CuPc:SiO2 interface as well as contributions to the signal from higher order source terms from the bulk. The model reveals a difference in the density of states between the two interfaces and suggests that by combining experimental transmission and reflection data it is possible to separate bulk and interfacial contributions to ESFG spectra.

  16. Determination of Fe charge-state distributions in PLT by Bragg crystal x-ray spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hill, K.W.; von Goeler, S.; Bitter, M.

    1978-08-01

    A curved-crystal Bragg x-ray spectrometer has been used to measure K..cap alpha.. or 1s-2p radiation from highly stripped Fe XVIII to Fe XXV impurity ions in the PLT tokamak. The spectrometer has sufficient energy resolution (approximately < 4 eV at 6400 eV) to distinguish between the different ionization states of iron by measuring the energy shift of the K..cap alpha.. x rays. The measured wavelengths agree well with theory and with spectra from solar flares and from laser-produced plasmas. The distribution of Fe charge states in the center of the discharge has been inferred from a comparison of the measured x-ray spectrum with theory. The shape of the spectrum depends strongly on electron temperature (T/sub e/) in the range T/sub e/ = 800 to 1500 eV. Within the factor of two uncertainty in L-shell ionization cross sections, measured intensities agree with theory, which is based on coronal equilibrium, indicating that the ion life-time in the center of the plasma is approximately equal to or greater than the equilibration time.

  17. Superconductivity in the charge-density-wave state of the organic metal α- (BEDT-TTF)2 KHg (SCN)4

    Science.gov (United States)

    Andres, D.; Kartsovnik, M. V.; Biberacher, W.; Neumaier, K.; Schuberth, E.; Müller, H.

    2005-11-01

    The superconducting transition in the layered organic compound α-(BEDT-TTF)2KHg(SCN)4 has been studied in the two hydrostatic pressure regimes where a charge-density wave is either present or completely suppressed. Within the charge-density-wave state the experimental results reveal a network of weakly coupled superconducting regions. This is especially seen in a strong enhancement of the measured critical field and the corresponding positive curvature of its temperature dependence. Further, it is shown that on lowering the pressure into the density-wave state traces of a superconducting phase already start to appear at a much higher temperature.

  18. Voltage Scheduling Droop Control for State-of-Charge Balance of Distributed Energy Storage in DC Microgrids

    DEFF Research Database (Denmark)

    Li, Chendan; Dragicevic, Tomislav; Aldana, Nelson Leonardo Diaz;

    2014-01-01

    the State-of-Charge balance. In this paper, a new droop method based on voltage scheduling for State-of-Charge balance is proposed to keep the SoC balance for the energy storage units. The proposed method has the advantage of avoiding the stability problem existed in traditional methods based on droop gain...... scheduling. Simulation experiment is taken in Matlab on a DC microgrid with two distributed energy storage units. The simulation results show that the proposed method has successfully achieved SoC balance during the load changes while maintaining the DC bus voltage within the allowable range....

  19. Development of laser diode-pumped high average power solid-state laser for the pumping of Ti:sapphire CPA system

    Energy Technology Data Exchange (ETDEWEB)

    Maruyama, Yoichiro; Tei, Kazuyoku; Kato, Masaaki; Niwa, Yoshito; Harayama, Sayaka; Oba, Masaki; Matoba, Tohru; Arisawa, Takashi; Takuma, Hiroshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1998-03-01

    Laser diode pumped all solid state, high repetition frequency (PRF) and high energy Nd:YAG laser using zigzag slab crystals has been developed for the pumping source of Ti:sapphire CPA system. The pumping laser installs two main amplifiers which compose ring type amplifier configuration. The maximum amplification gain of the amplifier system is 140 and the condition of saturated amplification is achieved with this high gain. The average power of fundamental laser radiation is 250 W at the PRF of 200 Hz and the pulse duration is around 20 ns. The average power of second harmonic is 105 W at the PRF of 170 Hz and the pulse duration is about 16 ns. The beam profile of the second harmonic is near top hat and will be suitable for the pumping of Ti:sapphire laser crystal. The wall plug efficiency of the laser is 2.0 %. (author)

  20. Longitudinal temperature distribution in an end-pumped solid-state amplifier medium: application to a high average power diode pumped Yb:YAG thin disk amplifier.

    Science.gov (United States)

    Bourdet, Gilbert L; Yu, Haiwu

    2007-08-10

    We propose a simple analytical derivation making it possible to compute a one-dimensional temperature variation in an end-pumped solid-state laser. This derivation takes into account the pump intensity variation along the crystal, the doping concentration, and temperature dependence of the thermal conductivity. We then compare this simulation with the one usually used, which does not take into account any of these dependences. The results show that, at room temperature, the two methods are in good agreement, but at a cryogenic temperature where the thermal conductivity varies fast with temperature, a large discrepancy is found, and the conventional computations underestimate both the average temperature and the longitudinal gradient.

  1. Materials Characterization at Utah State University: Facilities and Knowledge-base of Electronic Properties of Materials Applicable to Spacecraft Charging

    Science.gov (United States)

    Dennison, J. R.; Thomson, C. D.; Kite, J.; Zavyalov, V.; Corbridge, Jodie

    2004-01-01

    In an effort to improve the reliability and versatility of spacecraft charging models designed to assist spacecraft designers in accommodating and mitigating the harmful effects of charging on spacecraft, the NASA Space Environments and Effects (SEE) Program has funded development of facilities at Utah State University for the measurement of the electronic properties of both conducting and insulating spacecraft materials. We present here an overview of our instrumentation and capabilities, which are particularly well suited to study electron emission as related to spacecraft charging. These measurements include electron-induced secondary and backscattered yields, spectra, and angular resolved measurements as a function of incident energy, species and angle, plus investigations of ion-induced electron yields, photoelectron yields, sample charging and dielectric breakdown. Extensive surface science characterization capabilities are also available to fully characterize the samples in situ. Our measurements for a wide array of conducting and insulating spacecraft materials have been incorporated into the SEE Charge Collector Knowledge-base as a Database of Electronic Properties of Materials Applicable to Spacecraft Charging. This Database provides an extensive compilation of electronic properties, together with parameterization of these properties in a format that can be easily used with existing spacecraft charging engineering tools and with next generation plasma, charging, and radiation models. Tabulated properties in the Database include: electron-induced secondary electron yield, backscattered yield and emitted electron spectra; He, Ar and Xe ion-induced electron yields and emitted electron spectra; photoyield and solar emittance spectra; and materials characterization including reflectivity, dielectric constant, resistivity, arcing, optical microscopy images, scanning electron micrographs, scanning tunneling microscopy images, and Auger electron spectra. Further

  2. A magnetic route to measure the average oxidation state of mixed-valent manganese in manganese oxide octahedral molecular sieves (OMS).

    Science.gov (United States)

    Shen, Xiong-Fei; Ding, Yun-Shuang; Liu, Jia; Han, Zhao-Hui; Budnick, Joseph I; Hines, William A; Suib, Steven L

    2005-05-04

    A magnetic route has been applied for measurement of the average oxidation state (AOS) of mixed-valent manganese in manganese oxide octahedral molecular sieves (OMS). The method gives AOS measurement results in good agreement with titration methods. A maximum analysis deviation error of +/-7% is obtained from 10 sample measurements. The magnetic method is able to (1) confirm the presence of mixed-valent manganese and (2) evaluate AOS and the spin states of d electrons of both single oxidation state and mixed-valent state Mn in manganese oxides. In addition, the magnetic method may be extended to (1) determine AOS of Mn in manganese oxide OMS with dopant "diamagnetic" ions, such as reducible V5+ (3d0) ions, which is inappropriate for the titration method due to interference of redox reactions between these dopant ions and titration reagents, such as KMnO4, (2) evaluate the dopant "paramagnetic" ions that are present as clusters or in the OMS framework, and (3) determine AOS of other mixed-valent/single oxidation state ion systems, such as Mo3+(3d3)-Mo4+(3d2) systems and Fe3+ in FeCl3.

  3. The steady state of a particle in a vibrating box and possible application in short pulse generation of charged particles

    Indian Academy of Sciences (India)

    Nandan Jha; Sudhir R Jain

    2013-09-01

    In this paper the classical evolution of a particle is studied which bounces back and forth in a 1D vibrating cavity such that the reflection from the wall does not change the speed of the particle. A peculiar behaviour of the particle motion can be seen where the time evolution of the motion shows superposition of linear and oscillatory behaviour. In particular, the parameter range is found in which the particle oscillates between the walls in steady state as if the wall was static and it is showed that for these parameter ranges the particle settles to this steady state for all initial conditions. It is proposed that this phenomenon can be used to bunch charged particles in short pulses where the synchronization proposed in our model should work against the space charge effect in the charged particle bunch.

  4. Correlation of Mn charge state with the electrical resistivity of Mn doped indium tin oxide thin films

    KAUST Repository

    Kumar, S. R. Sarath

    2010-09-15

    Correlation of charge state of Mn with the increase in resistivity with Mn concentration is demonstrated in Mn-doped indium tin oxide films. Bonding analysis shows that Mn 2p3/2 core level can be deconvoluted into three components corresponding to Mn2+ and Mn4+ with binding energies 640.8 eV and 642.7 eV, respectively, and a Mn2+ satellite at ∼5.4 eV away from the Mn2+ peak. The presence of the satellite peak unambiguously proves that Mn exists in the +2 charge state. The ratio of concentration of Mn2+ to Mn4+ of ∼4:1 suggests that charge compensation occurs in the n-type films causing the resistivity increase.

  5. Coherence, energy and charge transfers in de-excitation pathways of electronic excited state of biomolecules in photosynthesis

    DEFF Research Database (Denmark)

    Bohr, Henrik; Malik, F. Bary

    2013-01-01

    The observed multiple de-excitation pathways of photo-absorbed electronic excited state in the peridinin–chlorophyll complex, involving both energy and charge transfers among its constituents, are analyzed using the bio-Auger (B-A) theory. It is also shown that the usually used F¨orster–Dexter th...

  6. Magnetic latitude dependence of oxygen charge states in the global magnetosphere: Insights into solar wind-originating ion injection

    Science.gov (United States)

    Allen, R. C.; Livi, S. A.; Vines, S. K.; Goldstein, J.

    2016-10-01

    Understanding the sources and subsequent evolution of plasma in a magnetosphere holds intrinsic importance for magnetospheric dynamics. Previous studies have investigated the balance of ionospheric-originating heavy ions (low charge state) from those of solar wind origin (high charge state) in the magnetosphere of Earth. These studies have suggested a variety of entry mechanisms for solar wind ions to penetrate into the magnetosphere. Following from recently published distributions for oxygen charge states observed by the Polar spacecraft, this paper investigates oxygen charge state flux distributions versus L shell and magnetic latitude. By showing these distributions in this frame, and binning by various proxies for magnetospheric dynamics (Dst, AE, VSW∗BZ, Pdyn), insight has been gained into the underlying physics at play for oxygen injection. Ionospheric-originating oxygen is observed to depend predominantly on Dst, whereas solar wind-originating oxygen is observed to have a strong dependence on solar wind dynamic pressure (Pdyn) at the flanks and on VSW∗BZ at the dayside. This suggests that both Kelvin-Helmholtz instabilities and reconnection play major roles in solar wind ion penetration into a magnetosphere. Additionally, the near-Earth magnetotail reconnection site does not seem to be a major injection site of solar wind-originating plasma in the 1 to 200 keV/e energy range.

  7. The beam commissioning of a CW high charge state heavy ion RFQ

    Science.gov (United States)

    Zhu, K.; Lu, Y. R.; Yin, X. J.; Yang, Y. Q.; Gao, S. L.; Wang, Z.; He, Y.; Liu, G.; Zhang, X. H.; Yuan, Y. J.; Zhao, H. W.; Xia, J. W.; Chen, C. E.

    2015-09-01

    The SSC-LINAC project is launched at Institute of Modern Physics in China to develop one new linear accelerator (LINAC) injector for separated sector cyclotron (SSC). It includes a high charge state ion source, a CW RFQ and a DTL section, and is designed to accelerate ions up to 580 keV/u. Now the ion source and the RFQ cavity have been installed in the main hall and the beam commissioning has been carried out. Two kinds of ions have been tested, 16O5+ and 40Ar8+. The experiment result of 16O5+ is: the measured beam current is 180 μA at entrance of RFQ and 150 μA at exit of RFQ. The output energy of 16O5+ is 141.89 keV/u. The measured beam current is 210 μA at entrance of RFQ and 198 μA at exit of RFQ for 40Ar8+. The output energy of 40Ar8+ is 142.78 keV/u. The experiment results agree with the design parameters of RFQ very well. This paper presents: the design consideration of beam dynamics, RF and cooling structure design; measurement of the cold model; high power test of RFQ and beam commissioning result.

  8. Donor-acceptor substituted phenylethynyltriphenylenes – excited state intramolecular charge transfer, solvatochromic absorption and fluorescence emission

    Directory of Open Access Journals (Sweden)

    Ritesh Nandy

    2010-10-01

    Full Text Available Several 2-(phenylethynyltriphenylene derivatives bearing electron donor and acceptor substituents on the phenyl rings have been synthesized. The absorption and fluorescence emission properties of these molecules have been studied in solvents of different polarity. For a given derivative, solvent polarity had minimal effect on the absorption maxima. However, for a given solvent the absorption maxima red shifted with increasing conjugation of the substituent. The fluorescence emission of these derivatives was very sensitive to solvent polarity. In the presence of strongly electron withdrawing (–CN and strongly electron donating (–NMe2 substituents large Stokes shifts (up to 130 nm, 7828 cm−1 were observed in DMSO. In the presence of carbonyl substituents (–COMe and –COPh, the largest Stokes shift (140 nm, 8163 cm−1 was observed in ethanol. Linear correlation was observed for the Stokes shifts in a Lippert–Mataga plot. Linear correlation of Stokes shift was also observed with ET(30 scale for protic and aprotic solvents but with different slopes. These results indicate that the fluorescence emission arises from excited state intramolecular charge transfer in these molecules where the triphenylene chromophore acts either as a donor or as an acceptor depending upon the nature of the substituent on the phenyl ring. HOMO–LUMO energy gaps have been estimated from the electrochemical and spectral data for these derivatives. The HOMO and LUMO surfaces were obtained from DFT calculations.

  9. Direct and charge transfer state mediated photogeneration in polymer-fullerene bulk heterojunction solar cells

    Science.gov (United States)

    Mingebach, M.; Walter, S.; Dyakonov, V.; Deibel, C.

    2012-05-01

    We investigated photogeneration yield and recombination dynamics in blends of poly(3-hexyl thiophene) (P3HT) and poly[2-methoxy-5 -(3',7'-dimethyloctyloxy)-1,4-phenylenevinylene] (MDMO-PPV) with [6,6]-phenyl-C61butyric acid methyl ester (PC61BM) by means of temperature dependent time delayed collection field measurements. In MDMO-PPV:PC61BM, we find a strongly field dependent polaron pair dissociation which can be attributed to geminate recombination in the device. Our findings are in good agreement with field dependent photoluminescence measurements published before, supporting a scenario of polaron pair dissociation via an intermediate charge transfer state. In contrast, polaron pair dissociation in P3HT:PC61BM shows only a very weak field dependence, indicating an almost field independent polaron pair dissociation or a direct photogeneration. Furthermore, we found Langevin recombination for MDMO-PPV:PC61BM and strongly reduced Langevin recombination for P3HT:PC61BM.

  10. Laser-induced charge-disproportionated metallic state in LaCoO3

    Science.gov (United States)

    Izquierdo, M.; Karolak, M.; Trabant, C.; Holldack, K.; Föhlisch, A.; Kummer, K.; Prabhakaran, D.; Boothroyd, A. T.; Spiwek, M.; Belozerov, A.; Poteryaev, A.; Lichtenstein, A.; Molodtsov, S. L.

    2014-12-01

    Understanding the origin of the spin transition in LaCoO3 is one of the long-standing aims in condensed matter physics. Aside from its fundamental interest, a detailed description of this crossover will have a direct impact on the interpretation of the semiconductor-to-metal transition (SMT) and the properties of the high-temperature metallic phase in this compound, which has shown to have important applications in environmentally friendly energy production. To date, the spin transition has been investigated mainly as a function of temperature in thermal equilibrium. These results have hinted at dynamical effects. In this paper, we have investigated the SMT by means of pump-probe soft x-ray reflectivity experiments at the O K , Co L , and La M edges and theoretical calculations within a DFT++ formalism. The results point towards a laser-induced metallization in which the optical transitions stabilize a metallic state with high-spin configuration and increased charge disproportionation.

  11. Temperature dependency of state of charge inhomogeneities and their equalization in cylindrical lithium-ion cells

    Science.gov (United States)

    Osswald, P. J.; Erhard, S. V.; Rheinfeld, A.; Rieger, B.; Hoster, H. E.; Jossen, A.

    2016-10-01

    The influence of cell temperature on the current density distribution and accompanying inhomogeneities in state of charge (SOC) during cycling is analyzed in this work. To allow for a detailed insight in the electrochemical behavior of the cell, commercially available 26650 cells were modified to allow for measuring local potentials at four different, nearly equidistant positions along the electrodes. As a follow-up to our previous work investigating local potentials within a cell, we apply this method for studying SOC deviations and their sensitivity to cell temperature. The local potential distribution was studied during constant current discharge operations for various current rates and discharge pulses in order to evoke local inhomogeneities for temperatures ranging from 10 °C to 40 °C. Differences in local potentials were considered for estimating local SOC variations within the electrodes. It could be observed that even low currents such as 0.1C can lead to significant inhomogeneities, whereas a higher cell temperature generally results in more pronounced inhomogeneities. A rapid SOC equilibration can be observed if the variation in the SOC distribution corresponds to a considerable potential difference defined by the open circuit voltage of either the positive or negative electrode. With increasing temperature, accelerated equalization effects can be observed.

  12. The beam commissioning of a CW high charge state heavy ion RFQ

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, K. [State Key Laboratory of Nuclear Physics and Technology, Peking University, Beijing 100871 (China); Lu, Y.R., E-mail: yrlu@pku.edu.cn [State Key Laboratory of Nuclear Physics and Technology, Peking University, Beijing 100871 (China); Yin, X.J.; Yang, Y.Q. [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Gao, S.L.; Wang, Z. [State Key Laboratory of Nuclear Physics and Technology, Peking University, Beijing 100871 (China); He, Y. [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Liu, G. [State Key Laboratory of Nuclear Physics and Technology, Peking University, Beijing 100871 (China); Zhang, X.H.; Yuan, Y.J.; Zhao, H.W.; Xia, J.W. [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Chen, C.E. [State Key Laboratory of Nuclear Physics and Technology, Peking University, Beijing 100871 (China)

    2015-09-11

    The SSC-LINAC project is launched at Institute of Modern Physics in China to develop one new linear accelerator (LINAC) injector for separated sector cyclotron (SSC). It includes a high charge state ion source, a CW RFQ and a DTL section, and is designed to accelerate ions up to 580 keV/u. Now the ion source and the RFQ cavity have been installed in the main hall and the beam commissioning has been carried out. Two kinds of ions have been tested, {sup 16}O{sup 5+} and {sup 40}Ar{sup 8+}. The experiment result of {sup 16}O{sup 5+} is: the measured beam current is 180 μA at entrance of RFQ and 150 μA at exit of RFQ. The output energy of {sup 16}O{sup 5+} is 141.89 keV/u. The measured beam current is 210 μA at entrance of RFQ and 198 μA at exit of RFQ for {sup 40}Ar{sup 8+}. The output energy of {sup 40}Ar{sup 8+} is 142.78 keV/u. The experiment results agree with the design parameters of RFQ very well. This paper presents: the design consideration of beam dynamics, RF and cooling structure design; measurement of the cold model; high power test of RFQ and beam commissioning result.

  13. Thickness dependent charge transfer states and dark carriers density in vacuum deposited small molecule organic photocell

    Science.gov (United States)

    Shekhar, Himanshu; Tzabari, Lior; Solomeshch, Olga; Tessler, Nir

    2016-10-01

    We have investigated the influence of the active layer thickness on the balance of the internal mechanisms affecting the efficiency of copper phthalocyanine - fullerene (C60) based vacuum deposited bulk heterojunction organic photocell. We fabricated a range of devices for which we varied the thickness of the active layer from 40 to 120 nm and assessed their performance using optical and electrical characterization techniques. As reported previously for phthalocyanine:C60, the performance of the device is highly dependent on the active layer thickness and of all the thicknesses we tried, the 40 nm thin active layer device showed the best solar cell characteristic parameters. Using the transfer matrix based optical model, which includes interference effects, we calculated the optical power absorbed in the active layers for the entire absorption band, and we found that this cannot explain the trend with thickness. Measurement of the cell quantum efficiency as a function of light intensity showed that the relative weight of the device internal processes changes when going from 40 nm to 120 nm thick active layer. Electrical modeling of the device, which takes different internal processes into account, allowed to quantify the changes in the processes affecting the generation - recombination balance. Sub gap external quantum efficiency and morphological analysis of the surface of the films agree with the model's result. We found that as the thickness grows the density of charge transfer states and of dark carriers goes up and the uniformity in the vertical direction is reduced.

  14. Extended Kalman Filter with a Fuzzy Method for Accurate Battery Pack State of Charge Estimation

    Directory of Open Access Journals (Sweden)

    Saeed Sepasi

    2015-06-01

    Full Text Available As the world moves toward greenhouse gas reduction, there is increasingly active work around Li-ion chemistry-based batteries as an energy source for electric vehicles (EVs, hybrid electric vehicles (HEVs and smart grids. In these applications, the battery management system (BMS requires an accurate online estimation of the state of charge (SOC in a battery pack. This estimation is difficult, especially after substantial battery aging. In order to address this problem, this paper utilizes SOC estimation of Li-ion battery packs using a fuzzy-improved extended Kalman filter (fuzzy-IEKF for Li-ion cells, regardless of their age. The proposed approach introduces a fuzzy method with a new class and associated membership function that determines an approximate initial value applied to SOC estimation. Subsequently, the EKF method is used by considering the single unit model for the battery pack to estimate the SOC for following periods of battery use. This approach uses an adaptive model algorithm to update the model for each single cell in the battery pack. To verify the accuracy of the estimation method, tests are done on a LiFePO4 aged battery pack consisting of 120 cells connected in series with a nominal voltage of 432 V.

  15. A Single Charge State ECR Ion Source%单粒子态ECR离子源

    Institute of Scientific and Technical Information of China (English)

    赵玉彬; 刘占稳; 赵红卫; 丁俊章; 曹云; 张子民; 张雪珍; 郭晓虹

    1999-01-01

    A compact 2.45GHz electron cyclotron resonance ion source (ECRIS) for high beam current of single charge state has been built at Institute of Modern Physics. A mixed ion( )beam current of 90mA is delivered from a single aperture of φ6mm with rf power 600W at extraction voltage 22kV. This paper introduces the source structure, the magnetic configuration, the test results and the relation between the magnetic configuration and total beam current. In addition, the magnetic configuration is also compared with that of the other 2.45GHz ECR ion sources built in different laboratories. Finally, some conclusions are presented.%介绍了一台2.45GHz电子回旋共振(ECR)单电荷离子源的磁场场形,以及它和总束流的关系. 并且比较了国际上现有的几台同类型离子源的磁场场形. 由此得出了关于2.45GHz ECR 离子源磁场场形的一些结论.

  16. On state-of-charge determination for lithium-ion batteries

    Science.gov (United States)

    Li, Zhe; Huang, Jun; Liaw, Bor Yann; Zhang, Jianbo

    2017-04-01

    Accurate estimation of state-of-charge (SOC) of a battery through its life remains challenging in battery research. Although improved precisions continue to be reported at times, almost all are based on regression methods empirically, while the accuracy is often not properly addressed. Here, a comprehensive review is set to address such issues, from fundamental principles that are supposed to define SOC to methodologies to estimate SOC for practical use. It covers topics from calibration, regression (including modeling methods) to validation in terms of precision and accuracy. At the end, we intend to answer the following questions: 1) can SOC estimation be self-adaptive without bias? 2) Why Ah-counting is a necessity in almost all battery-model-assisted regression methods? 3) How to establish a consistent framework of coupling in multi-physics battery models? 4) To assess the accuracy in SOC estimation, statistical methods should be employed to analyze factors that contribute to the uncertainty. We hope, through this proper discussion of the principles, accurate SOC estimation can be widely achieved.

  17. State of Charge Dependent Mechanical Integrity Behavior of 18650 Lithium-ion Batteries

    Science.gov (United States)

    Xu, Jun; Liu, Binghe; Hu, Dayong

    2016-02-01

    Understanding the mechanism of mechanical deformation/stress-induced electrical failure of lithium–ion batteries (LIBs) is important in crash-safety design of power LIBs. The state of charge (SOC) of LIBs is a critical factor in their electrochemical performance; however, the influence of SOC with mechanical integrity of LIBs remains unclear. This study investigates the electrochemical failure behaviors of LIBs with various SOCs under both compression and bending loadings, underpinned by the short circuit phenomenon. Mechanical behaviors of the whole LIB body, which is regarded as an intact structure, were analyzed in terms of structure stiffness. Results showed that the mechanical behaviors of LIBs depend highly on SOC. Experimental verification on the cathode and anode sheet compression tests show that higher SOC with more lithium inserted in the anode leads to higher structure stiffness. In the bending tests, failure strain upon occurrence of short circuit has an inverse linear relationship with the SOC value. These results may shed light on the fundamental physical mechanism of mechanical integrity LIBs in relation to inherent electrochemical status.

  18. The Average Variance Criterion for Nonstationary MDP with Borel State Space%Borel状态空间非平稳MDP的平均方差准则

    Institute of Scientific and Technical Information of China (English)

    郭先平

    2001-01-01

    In this paper, we consider the average variance criterion for nonstationary Markov decision processes (MDP) with Borel state space. First, from the optimality equations we prove the existence of optimal Markov policies under ergodic conditions.Secondly, by the theory on Markov processes and structuring a new model we also prove that there exists a Markov policy, which is optimal in an average expected criterion,minimizes the average variance in the class of optimal policies for average expected criterion. So we extend the main results obtained by Dynkin E. B. and Yushkevich A. A.and by Kurano M. etc.%本文考虑具有Borel状态空间和行动空间非平稳MDP的平均方差准则.首先,在遍历条件下,利用最优方程,证明了关于平均期望目标最优马氏策略的存在性.然后,通过构造新的模型,利用马氏过程的理论,进一步证明了在关于平均期望目标是最优的一类马氏策略中,存在一个马氏策略使得平均方差达到最小.作为本文的特例还得到了Dynkin E.B.和Yushkevich A.A.及Kurano M.等中的主要结果.

  19. Preparation of Schrödinger cat states of a cavity field via coupling to a superconducting charge qubit

    Science.gov (United States)

    Freitas, Dagoberto S.; Nemes, M. C.

    2014-05-01

    We extend the approach in Ref. 5 [Y.-X. Liu, L. F. Wei and F. Nori, Phys. Rev. A 71 (2005) 063820] for preparing superposition states of a cavity field interacting with a superconducting charge qubit. We study effects of the nonlinearity on the creation of such states. We show that the main contribution of nonlinear effects is to shorten the time necessary to build the superposition.

  20. Donor-Acceptor Conjugated Linear Polyenes: A Study of Excited State Intramolecular Charge Transfer, Photoisomerization and Fluorescence Probe Properties.

    Science.gov (United States)

    Hota, Prasanta Kumar; Singh, Anil Kumar

    2014-07-27

    Numerous studies of donor-acceptor conjugated linear polyenes have been carried out with the goal to understand the exact nature of the excited state electronic structure and dynamics. In this article we discuss our endeavours with regard to the excited state intramolecular charge transfer, photoisomerization and fluorescence probe properties of various donor-acceptor substituted compounds of diphenylpolyene [Ar(CH = CH) n Ar] series and ethenylindoles.

  1. Survival Of Large-l Rydberg States Of Highly Charged Ions In The Vicinity Of Metal Surfaces

    Science.gov (United States)

    Mirkovic, M. A.; Nedeljkovic, N. N.; Božanic, D. K.

    2010-07-01

    The probabilities for ionization of large-l multiply charged Rydberg ions approaching metallic surfaces at thermal velocities in the normal incidence geometry were calculated. The ionization process was treated within the framework of decay model using the appropriate etalon equation method for solving the complex energy eigenvalue problem. It is shown that, in contrast to corresponding low-l states, the large-l Rydberg states exhibit non-zero survival probabilities.

  2. Lead-carbon electrode designed for renewable energy storage with superior performance in partial state of charge operation

    Science.gov (United States)

    Zhang, Wen-Li; Yin, Jian; Lin, Zhe-Qi; Shi, Jun; Wang, Can; Liu, De-Bo; Wang, Yue; Bao, Jin-Peng; Lin, Hai-Bo

    2017-02-01

    Renewable energy storage is a key issue in our modern electricity-powered society. Lead acid batteries (LABs) are operated at partial state of charge in renewable energy storage system, which causes the sulfation and capacity fading of Pb electrode. Lead-carbon composite electrode is a good solution to the sulfation problem of LAB. In this paper, a rice-husk-derived hierarchically porous carbon with micrometer-sized large pores (denoted as RHC) has been used as the component of lead-carbon composite electrode. Scanning electron microscopy was used to characterize the morphology of lead-carbon composite electrode. Electrochemical impedance spectroscopy was used to determine the charge transfer capability of lead-carbon composite electrode. Both full charge-discharge method and charge-discharge method operating at harsh partial state of charge condition have been used to prove the superior energy storage capability of lead-carbon composite electrode. Experiment results prove that the micrometer-sized pores of RHC are beneficial to the construction and stability of lead-carbon composite electrode. Microporous carbon material with high surface area is not suitable for the construction of lead-carbon electrode due to the ruin of lead-carbon structure caused by severe electrochemical hydrogen evolution.

  3. Steady State Analytical Equation of Motion of Linear Shaped Charges Jet Based on the Modification of Birkhoff Theory

    Directory of Open Access Journals (Sweden)

    Seokbin Lim

    2012-01-01

    Full Text Available Birkhoff theory exhibits an analytical steady state liner collapse model of shaped charges followed by jetting process. It also provides the fundamental idea in study of shaped charges and has widened its application in many areas, including a configuration where the detonation front strikes the entire liner surface at the same time providing the α = β (liner apex angle α, and the liner collapse point angle β condition in the literature. Upon consideration of the detonation front propagation along the lateral length of the core charge in LSCs (linear shaped charges, a further modification of the Birkhoff theory motivated by the unique geometrical condition of LSCs and the α = β condition is necessary to correctly describe the jetting behavior of LSCs which is different than that of CSCs (conical shaped charges. Based on such unique geometrical properties of LSCs, the original Birkhoff theory was modified and an analytical steady state LSCs model was built. The analytical model was then compared to the numerical simulation results created from Autodyn™ in terms of M/C ratio and apex angles in three different sized LSCs, and it exhibits favorable results in a limited range.

  4. Effect of intrachain sulfonic acid dopants on the solid-state charge mobility of a model radical polymer

    Energy Technology Data Exchange (ETDEWEB)

    Chan, Holly; Wang, Yucheng; Boudouris, Bryan W., E-mail: boudouris@purdue.edu

    2015-02-27

    Radical polymers are an emerging class of non-conjugated, charge-conducting macromolecules that are capable of transporting charge through localized oxidation–reduction (redox) reactions that occur at the stable radical groups present as the pendant groups of the macromolecular chains. The chemical nature and oxidation state of these pendant radical groups are critical to the charge transporting abilities of radical polymers in the solid state. To date, however, the control of this chemistry has been limited to external oxidizing agents, and the concept of intramolecular dopants has not been explored fully. To this end, we have synthesized poly(2,2,6,6-tetramethylpiperidinyloxy methacrylate)-co-poly(vinylsulfonic acid sodium salt) (PTMA-co-PVS). Then, electron paramagnetic resonance spectroscopy and attenuated total reflectance-Fourier transform infrared spectroscopy are implemented to evaluate the exact chemical nature of the pendant groups as a function of the PVS intramolecular dopants and exposure of the materials to external oxidation reactions. We correlate these changes in pendant group chemistry to charge transport ability, and we establish that the inclusion of a moderate amount of PVS dopants can improve the solid-state hole mobility of the material. Conversely, a large amount of sulfonic acidic dopants can be detrimental to the transport of the polymer relative to the homopolymer PTMA. Therefore, refinement of pendant group chemistry and careful addition of intramolecular dopants can enhance the solid-state transport ability of a radical polymer system. These fundamental principles, in turn, provide a vital foothold by which to optimize the solid-state charge transporting ability of current and next-generation radical polymer designs. - Highlights: • Sulfonic acid groups are copolymerized within the backbone of radical polymer chain. • Addition of the sulfonic acid groups alters the pendant group oxidation state. • Exact oxidation states are

  5. Controlling the Charge State and Redox Properties of Supported Polyoxometalates via Soft Landing of Mass Selected Ions

    Energy Technology Data Exchange (ETDEWEB)

    Gunaratne, Kalupathirannehelage Don D.; Johnson, Grant E.; Andersen, Amity; Du, Dan; Zhang, Weiying; Prabhakaran, Venkateshkumar; Lin, Yuehe; Laskin, Julia

    2014-12-04

    We investigate the controlled deposition of Keggin polyoxometalate (POM) anions, PMo12O403- and PMo12O402-, onto different self-assembled monolayer (SAM) surfaces via soft landing of mass-selected ions. Utilizing in situ infrared reflection absorption spectroscopy (IRRAS), ex situ cyclic voltammetry (CV) and electronic structure calculations, we examine the structure and charge retention of supported multiply-charged POM anions and characterize the redox properties of the modified surfaces. SAMs of alkylthiol (HSAM), perfluorinated alkylthiol (FSAM), and alkylthiol terminated with NH3+ functional groups (NH3+SAM) are chosen as model substrates for soft landing to examine the factors which influence the immobilization and charge retention of multiply charged anionic molecules. The distribution of charge states of POMs on different SAM surfaces are determined by comparing the IRRAS spectra with vibrational spectra calculated using density functional theory (DFT). In contrast to the results obtained previously for multiply charged cations, soft landed anions are found to retain charge on all three SAM surfaces. This charge retention is attributed to the substantial electron binding energy of the POM anions. Investigation of redox properties by CV reveals that, while surfaces prepared by soft landing exhibit similar features to those prepared by adsorption of POM from solution, the soft landed POM2- has a pronounced shift in oxidation potential compared to POM3- for one of the redox couples. These results demonstrate that ion soft landing is uniquely suited for precisely controlled preparation of substrates with specific electronic and chemical properties that cannot be achieved using conventional deposition techniques.

  6. High rate partial-state-of-charge operation of VRLA batteries

    Science.gov (United States)

    Moseley, Patrick T.

    The world market for 12 V SLI batteries currently stands at around US$ 12 billion. The lack of a serious challenge from other battery types has allowed lead-acid products to serve this market exclusively, with minimal demand for product improvement through research and development, and a sharp competition has, over time, cut sales prices to commodity levels. The electrochemical storage of energy in automobiles now faces the possibility of a major change, in the form of the proposed 36/42 V electrical systems for vehicles that remain primarily powered by internal combustion engines, and of the hybrid electric vehicle. The duty cycle for these two applications sees the battery held at a partial-state-of-charge (PSoC) for most of its life and required to supply, and to accept, charge at unprecedented rates. The remarkable advances achieved with VRLA battery technology for electric vehicles during the past 8-10 years will be of only passing value in overcoming the challenges posed by high rate PSoC service in 36/42 V and HEV duty. This is because the failure modes seen in PSoC are quite different from those faced in EV (deep cycle) use. The replacement of the 12 V SLI will not take place rapidly. However, if the applications which take its place are to be satisfied by a lead-acid product (probably VRLA), rather than by a battery of a different chemistry, a program of development as successful as that mounted for deep cycle duty will be required. The present phase of the Advanced Lead-Acid Battery Consortium (ALABC) R&D program has begun to shed light on those aspects of the function of a VRLA battery which currently limit its life in high rate PSoC duty. The program is also pursuing the several technologies which show promise of overcoming those limits, including multiple tab plate design, mass transport facilitation and minor component (both beneficial and detrimental impurity) management. This paper presents a brief review of the changes which are taking place in

  7. Charge state dependent fragmentation of gaseous [alpha]-synuclein cations via ion trap and beam-type collisional activation

    Science.gov (United States)

    Chanthamontri, Chamnongsak; Liu, Jian; McLuckey, Scott A.

    2009-06-01

    Ions derived from nano-electrospray ionization (nano-ESI) of [alpha]-synuclein, a 14.5 kDa, 140 amino acid residue protein that is a major component of the Lewy bodies associated with Parkinson's disease, have been subjected to ion trap and beam-type collisional activation. The former samples products from fragmentation at rates generally lower than 100 s-1 whereas the latter samples products from fragmentation at rates generally greater than 103 s-1. A wide range of protein charge states spanning from as high as [M+17H]17+ to as low as [M+4H]4+ have been formed either directly from nano-ESI or via ion/ion proton transfer reactions involving the initially formed protein cations and have been subjected to both forms of collision-induced dissociation (CID). The extent of sequence information (i.e., number of distinct amide bond cleavages) available from either CID method was found to be highly sensitive to protein precursor ion charge state. Furthermore, the relative contributions of the various competing dissociation channels were also dependent upon precursor ion charge state. The qualitative trends in the changes in extent of amide bond cleavages and identities of bonds cleaved with precursor ion charge state were similar for two forms of CID. However, for every charge state examined, roughly twice the primary sequence information resulted from beam-type CID relative to ion trap CID. For example, evidence for cleavage of 86% of the protein amide bonds was observed for the [M+9H]9+ precursor ion using beam-type CID whereas 41% of the bonds were cleaved for the same precursor ion using ion trap CID. The higher energies required to drive fragmentation reactions at rates necessary to observe products in the beam experiment access more of the structurally informative fragmentation channels, which has important implications for whole protein tandem mass spectrometry.

  8. Evaluation of intramolecular charge transfer state of 4-, -dimethylamino cinnamaldehyde using time-dependent density functional theory

    Indian Academy of Sciences (India)

    Surajit Ghosh; K V S Girish; Subhadip Ghosh

    2013-07-01

    Intramolecular charge transfer of 4-,-dimethylamino cinnamaldehyde (DMACA) in vacuum and in five different aprotic solvents has been studied by using time-dependent density functional theory (TDDFT). Polarizable continuum model (PCM) was employed to consider solvent-solute interactions. The potential energy curves were constructed at different torsional angle of ,-dimethylamino moiety with respect to the adjacent phenyl ring. A large bathochromic shift in our calculated emission and absorption energies for polar solvents is a clear reminiscent of charge transfer nature of the excited state. Finally, the reported results are in agreement with experimental findings.

  9. Dynamics of the Rydberg state population of slow highly charged ions impinging a solid surface at arbitrary collision geometry

    Science.gov (United States)

    Nedeljković, N. N.; Majkić, M. D.; Božanić, D. K.; Dojčilović, R. J.

    2016-06-01

    We consider the population dynamics of the intermediate Rydberg states of highly charged ions (core charge Z\\gg 1, principal quantum number {n}{{A}}\\gg 1) interacting with solid surfaces at arbitrary collision geometry. The recently developed resonant two-state vector model for the grazing incidence (2012 J. Phys. B: At. Mol. Opt. Phys. 45 215202) is extended to the quasi-resonant case and arbitrary angle of incidence. According to the model, the population probabilities depend both on the projectile parallel and perpendicular velocity components, in a complementary way. A cascade neutralization process for {{{Xe}}}Z+ ions, for Z=15{--}45, interacting with a conductive-surface is considered by taking into account the population dynamics. For an arbitrary collision geometry and given range of ionic velocities, a micro-staircase model for the simultaneous calculation of the kinetic energy gain and the charge state of the ion in front of the surface is proposed. The relevance of the obtained results for the explanation of the formation of nanostructures on solid surfaces by slow highly charged ions for normal incidence geometry is briefly discussed.

  10. Cycle life testing and modeling of graphite/LiCoO2 cells under different state of charge ranges

    Science.gov (United States)

    Saxena, Saurabh; Hendricks, Christopher; Pecht, Michael

    2016-09-01

    Lithium-ion batteries are used for energy storage in a wide array of applications, and do not always undergo full charge and discharge cycling. This study quantifies the effect of partial charge-discharge cycling on Li-ion battery capacity loss by means of cycling tests conducted on graphite/LiCoO2 pouch cells under different state of charge (SOC) ranges and discharge currents. The results are used to develop a model of capacity fade for batteries under full or partial cycling conditions. This study demonstrates that all of the variables studied including mean SOC, change in SOC (ΔSOC) and discharge rate have a significant impact on capacity loss rate during the cycling operation. This study is useful in identifying the SOC ranges with slow degradation rates.

  11. Coexisting state of surge and rotating stall in a two-stage axial flow compressor using a double-phase-locked averaging technique

    Science.gov (United States)

    Sakata, Yuu; Ohta, Yutaka

    2017-02-01

    The interaction between surge and rotating stall in an axial flow compressor was investigated from the viewpoint of an unsteady inner flow structure. The aim of this study was to identify the key factor that determines the switching phenomenon of a surge cycle. The main feature of the tested compressor is a shock tube connected in series to the compressor outlet through a diaphragm, slits, and a concentric duplex pipe: this system allows surge and rotating stall to be generated by connecting the shock tube with the compressor, or enables the compression plane wave injection. The unsteady characteristics and the internal flow velocity fluctuations were measured in detail, and the stall cell structure was averaged and visualized along the movement of the operation point under a coexisting state of surge. A coefficient of the cell scale fluctuation was calculated using the result of the averaging, and it confirmed that the processes of inner flow structure change differed from each other according to the next cycle of the surge. The result suggests that the key factor that determines the next cycle is the transformation of the internal flow structure, particularly between the stall cell and the entire circumferential stall, in both the recovering and stalling processes.

  12. Average-atom model for two-temperature states and ionic transport properties of aluminum in the warm dense matter regime

    Science.gov (United States)

    Hou, Yong; Fu, Yongsheng; Bredow, Richard; Kang, Dongdong; Redmer, Ronald; Yuan, Jianmin

    2017-03-01

    The average-atom model combined with the hyper-netted chain approximation is an efficient tool for electronic and ionic structure calculations for warm dense matter. Here we generalize this method in order to describe non-equilibrium states with different electron and ion temperature as produced in laser-matter interactions on ultra-short time scales. In particular, the electron-ion and ion-ion correlation effects are considered when calculating the electron structure. We derive an effective ion-ion pair-potential using the electron densities in the framework of temperature-depended density functional theory. Using this ion-ion potential we perform molecular dynamics simulations in order to determine the ionic transport properties such as the ionic diffusion coefficient and the shear viscosity through the ionic velocity autocorrelation functions.

  13. Relation of lead adsorption on birnessites with different average oxidation states of manganese and release of Mn2+/H+/K+

    Institute of Scientific and Technical Information of China (English)

    Zhao Wei; Feng Xionghan; Tan Wenfeng; Liu Fan; Ding Shuwen

    2009-01-01

    The characteristics of Pb2+ adsorption on the surface of birnessites with different average oxidation states (AOS) of Mn, synthesized under acidic and alkali conditions, were investigated. The results indicated that the amount of adsorbed Pb2+ increased with the increase of Mn AOS in birnessites. The amount of Pb2+ adsorbed positively correlated with the amount of released Mn2+, H+ and K+ (r = 0.9962 > 0.6614, n = 14, α = 0.01). The released Mn2+, H+ and K+ were derived mostly from the corresponding cations adsorbed on the vacant sites. The maximum amount of adsorbed Pb2+ increased with the increasing vacant cation sites, leading to an increase of the total amount of released Mn2+, H+ and K+, and the increased likelihood for two Pb2+ adsorbed in the region of one side of a vacant site.

  14. Donor-to-Donor vs Donor-to-Acceptor Interfacial Charge Transfer States in the Phthalocyanine-Fullerene Organic Photovoltaic System.

    Science.gov (United States)

    Lee, Myeong H; Dunietz, Barry D; Geva, Eitan

    2014-11-06

    Charge transfer (CT) states formed at the donor/acceptor heterointerface are key for photocurrent generation in organic photovoltaics (OPV). Our calculations show that interfacial donor-to-donor CT states in the phthalocyanine-fullerene OPV system may be more stable than donor-to-acceptor CT states and that they may rapidly recombine, thereby constituting a potentially critical and thus far overlooked loss mechanism. Our results provide new insight into processes that may compete with charge separation, and suggest that the efficiency for charge separation may be improved by destabilizing donor-to-donor CT states or decoupling them from other states.

  15. Generation of localized magnetic moments in the charge-density-wave state

    OpenAIRE

    Akzyanov, R. S.; Rozhkov, A. V.

    2014-01-01

    We propose a mechanism explaining the generation of localized magnetic moments in charge-density-wave compounds. Our model Hamiltonian describes an Anderson impurity placed in a host material exhibiting the charge-density wave. There is a region of the model's parameter space, where even weak Coulomb repulsion on the impurity site is able to localize the magnetic moment on the impurity. The phase diagram of a single impurity at T=0 is mapped. To establish the connection with experiment thermo...

  16. 2D Coherent Charge Transport in Highly Ordered Conducting Polymers Doped by Solid State Diffusion

    OpenAIRE

    Kang, Keehoon; Watanabe, Shun; Broch, Katharina; Sepe, Alessandro; Brown, Adam; Nasrallah, Iyad; Nikolka, Mark; Fei, Zhuping; Heeney, Martin; Matsumoto, Daisuke; Marumoto, Kazuhiro; Tanaka, Hisaaki; Kuroda, Shin-ichi; Sirringhaus, Henning

    2016-01-01

    This is the author accepted manuscript. It is currently under an indefinite embargo pending publication by the Nature Publishing Group. Doping is one of the most important methods to control charge carrier concentration in semiconductors. Ideally, the introduction of dopants should not perturb the ordered microstructure of the semiconducting host. In some systems, such as modulation-doped inorganic semiconductors or molecular charge transfer crystals, this can be achieved by spatially sepa...

  17. Zero-field NMR and NQR studies of magnetically ordered state in charge-ordered EuPtP

    Science.gov (United States)

    Koyama, T.; Maruyama, T.; Ueda, K.; Mito, T.; Mitsuda, A.; Umeda, M.; Sugishima, M.; Wada, H.

    2015-03-01

    EuPtP undergoes two valence transitions and has two kinds of valence states of Eu ions at low temperatures. In the charge-ordered state, this compound shows an antiferromagnetic order ascribed to magnetic divalent Eu ions. We investigated the antiferromagnetically ordered state of EuPtP by nuclear magnetic resonance (NMR) measurement and nuclear quadrupole resonance (NQR) measurement in a zero external magnetic field. The observed 153Eu NMR signals of a magnetic divalent state and Eu,153151 NQR signals of a nonmagnetic trivalent state clearly demonstrate that the spins order in the hexagonal basal plane and the internal magnetic field is not canceled out, even at the Eu3 + layers which are in the middle of magnetic Eu2 + layers. In addition, the observation of 31P and 195Pt NMR spectra allowed us to discuss a possible magnetic structure. We also evaluated the nuclear quadrupole frequencies for both Eu2 + and Eu3 + ion states.

  18. Averaging kernel prediction from atmospheric and surface state parameters based on multiple regression for nadir-viewing satellite measurements of carbon monoxide and ozone

    Directory of Open Access Journals (Sweden)

    H. M. Worden

    2013-07-01

    Full Text Available A current obstacle to the observation system simulation experiments (OSSEs used to quantify the potential performance of future atmospheric composition remote sensing systems is a computationally efficient method to define the scene-dependent vertical sensitivity of measurements as expressed by the retrieval averaging kernels (AKs. We present a method for the efficient prediction of AKs for multispectral retrievals of carbon monoxide (CO and ozone (O3 based on actual retrievals from MOPITT (Measurements Of Pollution In The Troposphere on the Earth Observing System (EOS-Terra satellite and TES (Tropospheric Emission Spectrometer and OMI (Ozone Monitoring Instrument on EOS-Aura, respectively. This employs a multiple regression approach for deriving scene-dependent AKs using predictors based on state parameters such as the thermal contrast between the surface and lower atmospheric layers, trace gas volume mixing ratios (VMRs, solar zenith angle, water vapor amount, etc. We first compute the singular value decomposition (SVD for individual cloud-free AKs and retain the first three ranked singular vectors in order to fit the most significant orthogonal components of the AK in the subsequent multiple regression on a training set of retrieval cases. The resulting fit coefficients are applied to the predictors from a different test set of test retrievals cased to reconstruct predicted AKs, which can then be evaluated against the true retrieval AKs from the test set. By comparing the VMR profile adjustment resulting from the use of the predicted vs. true AKs, we quantify the CO and O3 VMR profile errors associated with the use of the predicted AKs compared to the true AKs that might be obtained from a computationally expensive full retrieval calculation as part of an OSSE. Similarly, we estimate the errors in CO and O3 VMRs from using a single regional average AK to represent all retrievals, which has been a common approximation in chemical OSSEs

  19. Molecular approaches to solar energy conversion: the energetic cost of charge separation from molecular-excited states.

    Science.gov (United States)

    Durrant, James R

    2013-08-13

    This review starts with a brief overview of the technological potential of molecular-based solar cell technologies. It then goes on to focus on the core scientific challenge associated with using molecular light-absorbing materials for solar energy conversion, namely the separation of short-lived, molecular-excited states into sufficiently long-lived, energetic, separated charges capable of generating an external photocurrent. Comparisons are made between different molecular-based solar cell technologies, with particular focus on the function of dye-sensitized photoelectrochemical solar cells as well as parallels with the function of photosynthetic reaction centres. The core theme of this review is that generating charge carriers with sufficient lifetime and a high quantum yield from molecular-excited states comes at a significant energetic cost-such that the energy stored in these charge-separated states is typically substantially less than the energy of the initially generated excited state. The role of this energetic loss in limiting the efficiency of solar energy conversion by such devices is emphasized, and strategies to minimize this energy loss are compared and contrasted.

  20. Global plasma simulation of charge state distribution inside a 2.45 GHz ECR plasma with experimental verification

    Energy Technology Data Exchange (ETDEWEB)

    Bodendorfer, M; Wurz, P; Hohl, M, E-mail: bodendorfer@ep.isas.jaxa.j [Space Research and Planetary Sciences, University of Bern, 3012 Bern (Switzerland)

    2010-08-15

    For the first time, the charge state distribution inside the MEsskammer fuer FlugzeitInStrumente und Time-Of-Flight (MEFISTO) electron cyclotron resonance (ECR) plasma and in the extracted ion beam was successfully simulated. A self-consistent ECR plasma ionization model (Hohl M 2002 MEFISTO II: Design, setup, characterization and operation of an improved calibration facility for solar plasma instrumentation PhD Thesis University of Bern) was further developed, recomputing the ion confinement time for every ion species and in every time step based on the actual plasma potential rather than using a prescribed constant ion confinement time. The simulation starts with a user defined set of initial conditions and develops the problem in time space by an adaptive step length fourth order Runge-Kutta (RK4) solver, considering particle densities based on ionization rates, recombination rates, ion confinement times and plasma potential. At the simulation end, a steady-state ion charge state distribution is reached, which is in excellent agreement with the measured ion beam charge state distribution of the MEFISTO ion source for Ar{sup 1+} to Ar{sup 5+} and in good agreement for Ar{sup 6+}.

  1. Global plasma simulation of charge state distribution inside a 2.45 GHz ECR plasma with experimental verification

    Science.gov (United States)

    Bodendorfer, M.; Wurz, P.; Hohl, M.

    2010-08-01

    For the first time, the charge state distribution inside the MEsskammer für FlugzeitInStrumente und Time-Of-Flight (MEFISTO) electron cyclotron resonance (ECR) plasma and in the extracted ion beam was successfully simulated. A self-consistent ECR plasma ionization model (Hohl M 2002 MEFISTO II: Design, setup, characterization and operation of an improved calibration facility for solar plasma instrumentation PhD Thesis University of Bern) was further developed, recomputing the ion confinement time for every ion species and in every time step based on the actual plasma potential rather than using a prescribed constant ion confinement time. The simulation starts with a user defined set of initial conditions and develops the problem in time space by an adaptive step length fourth order Runge-Kutta (RK4) solver, considering particle densities based on ionization rates, recombination rates, ion confinement times and plasma potential. At the simulation end, a steady-state ion charge state distribution is reached, which is in excellent agreement with the measured ion beam charge state distribution of the MEFISTO ion source for Ar1+ to Ar5+ and in good agreement for Ar6+.

  2. In situ X-ray near-edge absorption spectroscopy investigation of the state of charge of all-vanadium redox flow batteries.

    Science.gov (United States)

    Jia, Chuankun; Liu, Qi; Sun, Cheng-Jun; Yang, Fan; Ren, Yang; Heald, Steve M; Liu, Yadong; Li, Zhe-Fei; Lu, Wenquan; Xie, Jian

    2014-10-22

    Synchrotron-based in situ X-ray near-edge absorption spectroscopy (XANES) has been used to study the valence state evolution of the vanadium ion for both the catholyte and anolyte in all-vanadium redox flow batteries (VRB) under realistic cycling conditions. The results indicate that, when using the widely used charge-discharge profile during the first charge process (charging the VRB cell to 1.65 V under a constant current mode), the vanadium ion valence did not reach V(V) in the catholyte and did not reach V(II) in the anolyte. Consequently, the state of charge (SOC) for the VRB cell was only 82%, far below the desired 100% SOC. Thus, such incompletely charged mix electrolytes results in not only wasting the electrolytes but also decreasing the cell performance in the following cycles. On the basis of our study, we proposed a new charge-discharge profile (first charged at a constant current mode up to 1.65 V and then continuously charged at a constant voltage mode until the capacity was close to the theoretical value) for the first charge process that achieved 100% SOC after the initial charge process. Utilizing this new charge-discharge profile, the theoretical charge capacity and the full utilization of electrolytes has been achieved, thus having a significant impact on the cost reduction of the electrolytes in VRB.

  3. Correlational analysis of Eu3+ charge transfer state using La effective charge in La-based mixed-anion host compounds

    Science.gov (United States)

    Yoshimatsu, Ryo; Okada, Masahiro; Ishigaki, Tadashi; Watanabe, Shinta; Honma, Tetsuo; Ohmi, Koutoku

    2017-03-01

    A prediction of the Eu3+ charge transfer state (E CT) was attempted in La-based mixed-anion host compounds. We paid attention to La3OF3S2:Eu, since it is expected to have a more covalent La site than La2O2S. The La effective charge (La EC) was proposed as the index factor of covalency and/or ionicity. The correlation between the experimental E CT and the calculated La EC was systematically analyzed for La2S3, LaFS, La2O2S, La2O3, LaOF, and LaF3 host materials, and good approximation was obtained using the single exponential function with a variable number of La ECs. According to the fitting curve, the E CT of La3OF3S2:Eu was predicted to be 5.8 and 2.1 eV for Eu3+ centers activated at ionic and covalent sites, respectively. To confirm the prediction accuracy, La3OF3S2:Eu phosphor powder samples were synthesized by solid-state reaction. From the photoluminescence excitation and absorption measurements, the E CT values of about 4.7 eV (ionic La site) and 2.4 eV (covalent La site) were obtained. Even though the energy difference between the predicted and experimental values is large for the higher E CT, La EC is the useful index factor for estimating E CT. In addition, it indicates that the estimation can be applied to phosphor materials having multication sites.

  4. Theoretical Study of Vibrationally Averaged Dipole Moments for the Ground and Excited C═O Stretching States of trans-Formic Acid.

    Science.gov (United States)

    Paulson, Leif O; Kaminský, Jakub; Anderson, David T; Bouř, Petr; Kubelka, Jan

    2010-03-01

    Recent experimental studies of trans-formic acid (FA) in solid para-hydrogen (pH2) highlighted the importance of vibrationally averaged dipole moments for the interpretation of the high-resolution infrared (IR) spectra, in particular for the C═O stretch (ν3) mode. In this report, dipole moments for the ν3 ground (v = 0) and excited (v = 1, 2, 3, and 4) anharmonic vibrational states in trans-FA are investigated using two different approaches: a single mode approximation, where the vibrational states are obtained from the solution of the one-dimensional Schrödinger equation for the harmonic normal coordinate, and a limited vibrational configuration interaction (VCI) approximation. Density functional theory (B3LYP, BPW91) and correlated ab initio (MP2 and CCSD(T)) electronic methods were employed with a number of double- and triple-ζ and correlation consistent basis sets. Both single mode and VCI approaches show comparable agreement with experimental data, which is more dependent on the level of theory used. In particular, the BPW91/cc-pVDZ level appears to perform remarkably well. Effects of solvation of FA in solid state Ar and pH2 matrices were simulated at the BPW91/cc-pVDZ level using a conductor-like polarized continuum model (CPCM). The Ar and pH2 solid-state matrices cause quite a substantial increase in the FA dipole moments. Compared to gas-phase calculations, the CPCM model for pH2 better reproduces the experimental FA spectral shifts caused by interaction with traces of ortho-hydrogen (oH2) species in solid pH2. The validity of the single mode approach is tested against the multidimensional VCI results, suggesting that the isolated (noninteracting) mode approximation is valid up to the third vibrationally excited state (v = 3). Finally, the contribution of the ground anharmonic vibrational states of the remaining modes to the resulting ν3 single mode dipole moments is examined and discussed.

  5. Equilibrium and non-equilibrium charge-state distributions of 2.0 MeV/u carbon ions passing through carbon foils

    Energy Technology Data Exchange (ETDEWEB)

    Imai, M., E-mail: imai@nucleng.kyoto-u.ac.jp [Department of Nuclear Engineering, Kyoto University, Nishikyo, Kyoto 615-8540 (Japan); Sataka, M.; Matsuda, M.; Okayasu, S. [Japan Atomic Energy Agency (JAEA), Tokai, Ibaraki 319-1195 (Japan); Kawatsura, K. [Kansai Gaidai University, Hirakata, Osaka 573-1001 (Japan); Takahiro, K. [Department of Chemistry and Materials Technology, Kyoto Institute of Technology, Sakyo, Kyoto 606-8585 (Japan); Komaki, K. [Atomic Physics Laboratory, RIKEN, Wako, Saitama 351-0198 (Japan); Shibata, H. [Department of Nuclear Engineering, Kyoto University, Nishikyo, Kyoto 615-8540 (Japan); Institute of Scientific and Industrial Research, Osaka University, Ibaraki, Osaka 567-0047 (Japan); Nishio, K. [Japan Atomic Energy Agency (JAEA), Tokai, Ibaraki 319-1195 (Japan)

    2015-07-01

    Both equilibrium and non-equilibrium charge-state distributions were studied experimentally for 2.0 MeV/u carbon ions after passing through carbon foils. Measured charge-state distribution established the equilibrium at a target thickness of 10 μg/cm{sup 2} and this remained unchanged until a maximum target thickness of 98 μg/cm{sup 2}. The equilibrium charge-state distribution, the equilibrium mean charge-state, and the width and skewness of the equilibrium distribution were compared with predictions using existing semi-empirical formulae as well as simulation results, including the ETACHA code. It was found that charge-state distributions, mean charge states, and distribution widths for C{sup 2+}, C{sup 3+}, and C{sup 4+} incident ions merged into quasi-equilibrium values at a target thickness of 5.7 μg/cm{sup 2} in the pre-equilibrium region and evolved simultaneously to the ‘real equilibrium’ values for all of the initial charge states, including C{sup 5+} and C{sup 6+} ions, as previously demonstrated for sulfur projectile ions at the same velocity (Imai et al., 2009). Two kinds of simulation, ETACHA and solution of rate equations taking only single electron transfers into account, were used, and both of them reproduced the measured charge evolution qualitatively. The quasi-equilibrium behavior could be reproduced with the ETACHA code, but not with solution of elementary rate equations.

  6. Multiple analyte response and molecular logic operations by excited-state charge-transfer modulation in a bipyridine integrated fluorophore.

    Science.gov (United States)

    Sreejith, Sivaramapanicker; Divya, Kizhumuri P; Manojkumar, T K; Ajayaghosh, Ayyappanpillai

    2011-02-01

    The tunable excited-state properties of a new donor-π-acceptor-π-donor-type fluorophore 1 with a bipyridyl moiety and its ability to respond to different analytes in solution and on paper microchannels are described. Furthermore, the multiple analyte response of fluorophore 1 has been exploited to perform multiple logic operations. Molecule 1, by virtue of its excited-state charge transfer, exhibits solvatochromism and reversible modulation of its emission in response to multiple chemical inputs, thus resulting in different fluorescent signals. The intraligand charge-transfer (ILCT) emission of 1 at 574 nm has been modulated to three emission outputs by using different chemical inputs, such as Zn(2+), H(+), and ethylenediaminetetraacetic acid (EDTA). Thus, different logic operations such as AND, 2-input-INH, 3-input-INH, IMP, and a combination of these logic operations could be achieved.

  7. [Photoinduced charge separation in solid-state and molecular systems: Year three progress report

    Energy Technology Data Exchange (ETDEWEB)

    Bocarsly, A.B.

    1991-12-31

    Our goal is to understand the role of intrinsic cyanometalate overlayers in modulating interfacial photoinduced charge transfer processes occurring at the cadmium chalconide/aqueous ferri-ferrocyanide interface. To accomplish this goal, detailed structural and charge transfer studies of [CdFe(CN){sub 6}]{sup 2-/1-} overlayers generated either intrinsically via photoelectrochemistry at the illuminated CdX/[Fe(CN){sub 6}]{sup 4-/32} (X=S or Se) interface, or synthesized as chemical modification layers on inert metal electrodes have been undertaken. From these studies, a picture has evolved which directly links charge transfer mediated cation intercalation processes to surface overlayer crystal structure, and overlayer structure to critical charge transfer parameters. We have discovered that a photoelectrochemical cell of composition n-CdSe/(1M) KCN provides a relatively unique environment for testing the dynamic effects of chemisorption processes on heterogeneous charge transfer at the semiconductor-liquid junction. Thus, our retrospective studies have provided for new insight into semiconductor photochemistry. In parallel with our photoelectrochemical projects we have also introduced work on the spatially resolved photodeposition of platinum metal on nonconducting and semiconducting substrates. This chemistry provides new opportunities for the design of semiconductor (or insulator)-metal heterostructures which have applications in solar energy conversion.

  8. (Photoinduced charge separation in solid-state and molecular systems: Year three progress report)

    Energy Technology Data Exchange (ETDEWEB)

    Bocarsly, A.B.

    1991-01-01

    Our goal is to understand the role of intrinsic cyanometalate overlayers in modulating interfacial photoinduced charge transfer processes occurring at the cadmium chalconide/aqueous ferri-ferrocyanide interface. To accomplish this goal, detailed structural and charge transfer studies of (CdFe(CN){sub 6}){sup 2-/1-} overlayers generated either intrinsically via photoelectrochemistry at the illuminated CdX/(Fe(CN){sub 6}){sup 4-/32} (X=S or Se) interface, or synthesized as chemical modification layers on inert metal electrodes have been undertaken. From these studies, a picture has evolved which directly links charge transfer mediated cation intercalation processes to surface overlayer crystal structure, and overlayer structure to critical charge transfer parameters. We have discovered that a photoelectrochemical cell of composition n-CdSe/(1M) KCN provides a relatively unique environment for testing the dynamic effects of chemisorption processes on heterogeneous charge transfer at the semiconductor-liquid junction. Thus, our retrospective studies have provided for new insight into semiconductor photochemistry. In parallel with our photoelectrochemical projects we have also introduced work on the spatially resolved photodeposition of platinum metal on nonconducting and semiconducting substrates. This chemistry provides new opportunities for the design of semiconductor (or insulator)-metal heterostructures which have applications in solar energy conversion.

  9. Atomistic simulation of charge effects: From tunable thin film growth to isolation of surface states with spin-orbit coupling

    Science.gov (United States)

    Ming, Wenmei

    This dissertation revitalizes the importance of surface charge effects in semiconductor nanostructures, in particular in the context of thin film growth and exotic electronic structures under delicate spin-orbit coupling. A combination of simulation techniques, including density functional theory calculation, kinetic Monte Carlo method, nonequilibrium Green's function method, and tight binding method, were employed to reveal the underlying physical mechanisms of four topics: (1) Effects of Li doping on H-diffusion in MgH 2 for hydrogen storage. It addresses both the effect of Fermi level tuning by charged dopant and the effect of dopant-defect interaction, and the latter was largely neglected in previous works; (2) Tuning nucleation density of the metal island with charge doping of the graphene substrate. It is the first time that the surface charge doping effect is proposed and studied as an effective approach to tune the kinetics of island nucleation at the early stage of thin film growth; (3) Complete isolation of Rashba surface states on the saturated semiconductor surface. It shows that the naturally saturated semiconductor surface of InSe(0001) with Au single layer film provides a mechanism for the formation of Rashba states with large spin splitting; it opens up an innovative route to obtaining ideal Rashba states without the overwhelming bulk spin-degenerate carriers in spin-dependent transport; (4) Formation of large band gap quantum spin Hall state on Si surface. This study reveals the importance of atomic orbital composition in the formation of a topological insulator, and shows promisingly the possible integration of topological insulator technology into Si-based modern electronic devices.

  10. Hierarchical Control with Virtual Resistance Optimization for Efficiency Enhancement and State-of-Charge Balancing in DC Microgrids

    DEFF Research Database (Denmark)

    Meng, Lexuan; Dragicevic, Tomislav; Quintero, Juan Carlos Vasquez;

    2015-01-01

    This paper proposes a hierarchical control scheme which applies optimization method into DC microgrids in order to improve the system overall efficiency while considering the State-of-Charge (SoC) balancing at the same time. Primary droop controller, secondary voltage restoration controller...... and tertiary optimization tool formulate the complete hierarchical control system. Virtual resistances are taken as the decision variables for achieving the objective. simulation results are presented to verify the proposed approach....

  11. Understanding the charge-transfer state and singlet exciton emission from solution-processed small-molecule organic solar cells.

    Science.gov (United States)

    Ran, Niva A; Kuik, Martijn; Love, John A; Proctor, Christopher M; Nagao, Ikuhiro; Bazan, Guillermo C; Nguyen, Thuc-Quyen

    2014-11-19

    Electroluminescence (EL) from the charge-transfer state and singlet excitons is observed at low applied voltages from high-performing small-molecule bulk-heterojunction solar cells. Singlet emission from the blends emerges upon altering the processing conditions, such as thermal annealing and processing with a solvent additive, and correlates with improved photovoltaic performance. Low-temperature EL measurements are utilized to access the physics behind the singlet emission.

  12. Development of bacteriorhodopsin analogues and studies of charge separated excited states in the photoprocesses of linear polyenes.

    Science.gov (United States)

    Singh, Anil K; Hota, Prasanta K

    2007-01-01

    Development of bacteriorhodopsin (bR) analogues employing chromophore substitution technique for the purpose of characterizing the binding site of bR and generating bR analogues with novel opto-electronic properties for applications as photoactive element in nanotechnical devices are described. Additionally, the photophysical and photochemical properties of variously substituted diarylpolyenes as models of photobiologically relevant linear polyenes are discussed. The role of charge separated dipolar excited states in the photoprocesses of linear polyenes is highlighted.

  13. Giant Nernst effect in the incommensurate charge density wave state of P4W12O44

    Science.gov (United States)

    Kolincio, Kamil K.; Daou, Ramzy; Pérez, Olivier; Guérin, Laurent; Fertey, Pierre; Pautrat, Alain

    2016-12-01

    We report the study of Nernst effect in quasi-low-dimensional tungsten bronze P4W12O44 showing a sequence of Peierls instabilities. We demonstrate that both condensation of the electronic carriers in the charge density wave state and the existence of high-mobility electrons and holes originating from the small pockets remaining in the incompletely nested Fermi surface give rise to a Nernst effect of a magnitude similar to that observed in heavy fermion compounds.

  14. Luminescence from the ligand to metal charge transfer state of the neptunyl (V) ion and its complexes in solution

    Energy Technology Data Exchange (ETDEWEB)

    Bradshaw, Rebecca; Sykes, Daniel; Faulkner, Stephen [University of Oxford, Chemistry Research Laboratory, Mansfield Road, Oxford (United Kingdom); Natrajan, Louise S; Livens, Francis R [Centre for Radiochemistry Research, School of Chemistry, University of Manchester, Oxford Road, Manchester M13 9PL (United Kingdom); Taylor, Robin J, E-mail: Stephen.Faulkner@chem.ox.ac.uk [Central Laboratory, National Nuclear Laboratory, Sellafield, Seascale, Cumbria, CA20 1PG (United Kingdom)

    2010-03-15

    The photophysical properties of the neptunyl (V) ion in aqueous solution have been studied using time-resolved luminescence spectroscopy. While any f-f transitions in emission are too weak to detect using available technology, the ligand to metal charge transfer state is emissive in the visible part of the spectrum. Both the aquo ion and its complexes with bidentate ligands exhibit biexponential decay kinetics, which can be rationalised by slow exchange on the timescale of the experiment.

  15. Development of all solid-state, high average power ultra-short pulse laser for X-ray generation. High average power CPA system and wavefront control of ultra short laser pulse

    Energy Technology Data Exchange (ETDEWEB)

    Harayama, Sayaka; Akaoka, Katsuaki; Tei, Kazuyoku; Kato, Masaaki; Niwa, Yoshito; Maruyama, Yoichiro; Matoba, Toru; Arisawa, Takashi; Takuma, Hiroshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1998-03-01

    We developed a prototype CPA laser system which is pumped by a all solid-state Nd:YAG laser. In a preliminary experiment, the output energy of 52mJ before compression was obtained when the pumping energy was 250mJ. To compensate the wavefront distortion, an adaptive optics has been developed. By using this wavefront control system, the laser beam with the distortion of 0.15{lambda} was obtained. (author)

  16. A Steady-State Picture of Solar Wind Acceleration and Charge State Composition Derived from a Global Wave-Driven MHD Model

    CERN Document Server

    Oran, Rona; van der Holst, Bart; Lepri, Susan T; Frazin, Alberto M Vásquez Federico A Nuevo Richard; Manchester, Ward B; Sokolov, Igor V; Gombosi, Tamas I

    2014-01-01

    The higher charge states found in slow ($<$400km s$^{-1}$) solar wind streams compared to fast streams have supported the hypothesis that the slow wind originates in closed coronal loops, and released intermittently through reconnection. Here we examine whether a highly ionized slow wind can also form along steady and open magnetic field lines. We model the steady-state solar atmosphere using AWSoM, a global magnetohydrodynamic model driven by Alfv{\\'e}n waves, and apply an ionization code to calculate the charge state evolution along modeled open field lines. This constitutes the first charge states calculation covering all latitudes in a realistic magnetic field. The ratios $O^{+7}/O^{+6}$ and $C^{+6}/C^{+5}$ are compared to in-situ Ulysses observations, and are found to be higher in the slow wind, as observed; however, they are under-predicted in both wind types. The modeled ion fractions of S, Si, and Fe are used to calculate line-of-sight intensities, which are compared to EIS observations above a cor...

  17. Separation of monoclonal antibody charge state variants by open tubular capillary electrochromatography with immobilised protein as stationary phase.

    Science.gov (United States)

    Zhang, Yamin; Wang, Wentao; Xiao, Xue; Jia, Li

    2016-09-30

    Monoclonal antibodies (mAbs) are highly heterogeneous and complex glycoproteins requiring powerful analytical tools for characterization and quality control. In this work, we utilize adsorbed bovine serum albumin (BSA) as a stationary phase in open tubular (OT) capillary electrochromatography for separation of charge state variants of mAbs. Poly(diallydimethylammonium chloride) (PDDA) was used to assist fabrication of BSA coated OT column by electrostatic self-assembly. Scanning electron microscopy and electroosmotic flow measurement were carried out to characterize the as-prepared BSA coated PDDA OT columns. The electrochromatographic performance of the OT columns was evaluated by separation of basic proteins and different charge state variants of mAbs. The effects of background solution pH and concentration on separation were investigated. A rapid separation of charge state variants of mAbs was successfully achieved in the BSA coated PDDA OT column. Separation of seven variants of the mAb cetuximab was achieved using the prepared column. Two basic variants and one acidic variant of rituximab, and two basic variants and four acidic variants of trastuximab were successfully distinguished from the main forms. In addition, the columns demonstrated good repeatability and stability with the run-to-run, day-to-day and batch-to-batch relative standard deviations of migration times less than 3.7%.

  18. Improvement of Charge Collection and Performance Reproducibility in Inverted Organic Solar Cells by Suppression of ZnO Subgap States.

    Science.gov (United States)

    Wu, Bo; Wu, Zhenghui; Yang, Qingyi; Zhu, Furong; Ng, Tsz-Wai; Lee, Chun-Sing; Cheung, Sin-Hang; So, Shu-Kong

    2016-06-15

    Organic solar cells (OSCs) with inverted structure usually exhibit higher power conversion efficiency (PCE) and are more stable than corresponding devices with regular configuration. Indium tin oxide (ITO) surface is often modified with solution-processed low work function metal oxides, such as ZnO, serving as the transparent cathode. However, the defect-induced subgap states in the ZnO interlayer hamper the efficient charge collection and the performance reproducibility of the OSCs. In this work, we demonstrate that suppression of the ZnO subgap states by modification of its surface with an ultrathin Al layer significantly improves the charge extraction and performance reproducibility, achieving PCE of 8.0%, which is ∼15% higher than that of a structurally identical control cell made with a pristine ZnO interlayer. Light intensity-dependent current density-voltage characteristic, photothermal deflection spectroscopy, and X-ray photoelectron spectroscopy measurements point out the enhancement of charge collection efficiency at the organic/cathode interface, due to the suppression of the subgap states in the ZnO interlayer.

  19. Attributes for MRB_E2RF1 Catchments by Major River Basins in the Conterminous United States: 30-Year Average Daily Minimum Temperature, 1971-2000

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This tabular data set represents thecatchment-average for the 30-year (1971-2000) average daily minimum temperature in Celsius multiplied by 100 compiled for every...

  20. Orbital quantization in the high-magnetic-field state of a charge-density-wave system

    Science.gov (United States)

    Andres, D.; Kartsovnik, M. V.; Grigoriev, P. D.; Biberacher, W.; Müller, H.

    2003-11-01

    A superposition of the Pauli and orbital couplings of a high magnetic field to charge carriers in a charge-density-wave (CDW) system is proposed to give rise to transitions between subphases with quantized values of the CDW wave vector. By contrast to the purely orbital field-induced density-wave effects which require a strongly imperfect nesting of the Fermi surface, the new transitions can occur even if the Fermi surface is well nested at zero field. We suggest that such transitions are observed in the organic metal α-(BEDT-TTF)2KHg(SCN)4 under a strongly tilted magnetic field.

  1. Space charge and steady state current in LDPE samples containing a permittivity/conductivity gradient

    DEFF Research Database (Denmark)

    Holbøll, Joachim; Bambery, K. R.; Fleming, R. J.

    2000-01-01

    in a homogeneous sample is to establish a temperature gradient across it. The resulting spatial variation in ε is usually small in polymeric insulators, but the variation in σ can be appreciable. Laser induced pressure pulse (LIPP) measurements were made on 1.5 mm thick plaques of ultra pure LDPE equipped...... with vacuum-evaporated aluminium electrodes. Temperature differences up to 27°C were maintained across the samples, which were subjected to DC fields up to 20 kV/mm. Current density was measured as a function of temperature and field. Negligible thermally generated space charge was observed. The charge...

  2. Ionic Charge State Distribution of Au Plasma for 7-Ion System

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The present work extends the previous work[2] on 5-ion system to consider 7-ion system (i.e., Au47+ ~ Au53+). It is found that more highly charged ions, e.g., Au53+, Au54+ etc., could be able to be neglected, however, less highly charged ions, e.g., Au47+, Au46+ etc., are rather important. Therefore, a new idea to consider 8-ion system, i.e., Au46+ ~ Au53+, is under way. As a supplement, we discuss the simultaneous reaction, which would be important in this sort of works.

  3. Solid-state NMR Study of Ion Adsorption and Charge Storage in Graphene Film Supercapacitor Electrodes

    Science.gov (United States)

    Li, Kecheng; Bo, Zheng; Yan, Jianhua; Cen, Kefa

    2016-12-01

    Graphene film has been demonstrated as promising active materials for electric double layer capacitors (EDLCs), mainly due to its excellent mechanical flexibility and freestanding morphology. In this work, the distribution and variation pattern of electrolyte ions in graphene-film based EDLC electrodes are investigated with a 11B magic-angle spinning nuclear magnetic resonance (MAS-NMR) spectroscopy. For neutral graphene films soaked with different amounts of electrolytes (1 M TEABF4/ACN), weakly and strongly adsorbed anions are identified based on the resonances at different 11B chemical shifts. Unlike other porous carbonaceous materials, the strongly adsorbed anions are found as the major electrolyte anions components in graphene films. Further measurements on the ion population upon charging are carried out with applying different charging voltages on the graphene films. Results indicate that the charging process of graphene-film based EDLCs can be divided into two distinct charge storage stages (i.e., ejection of co-ions and adsorption of counter-ions) for different voltages. The as-obtained results will be useful for the design and fabrication of high performance graphene-film based EDLCs.

  4. Bound state properties and photodetachment of the negatively charged hydrogen ions

    Science.gov (United States)

    Frolov, Alexei M.

    2015-05-01

    Absorption of infrared and visible radiation from stellar emission spectra by the negatively charged hydrogen ions H- is considered. The explicit formula for the photodetachment cross-section of the negatively charged hydrogen ion(s) is derived. Photodetachemnt cross-sections of the {∞}H-, {3}H- (or T-), {2}H- (or D-) and {1}H- ions are determined to high accuracy and for a large number of photo-electron momenta/energies. We introduce criteria which can be used to evaluate the overall quality of highly accurate wave functions of the hydrogen ion(s). One of these criteria is based on highly accurate calculations of the lowest order QED corrections in the negatively charged hydrogen ions, including {1}H- (protium), {2}H- (deuterium), {3}H- (tritium) and model ion with the infinitely heavy nucleus {∞}H-. An effective approach has been developed to calculate three-body integrals with the Bessel functions of different orders. Some preliminary evaluations of the phototdetachment cross-sections of the negatively charged hydrogen ions are performed. Inverse bremsstrahlung in the field of the neutral hydrogen atom is briefly discussed.

  5. Optimization of a charge-state analyzer for electron cyclotron resonance ion source beams

    NARCIS (Netherlands)

    Saminathan, S.; Beijers, J. P. M.; Kremers, H. R.; Mironov, V.; Mulder, J.; Brandenburg, S.

    2012-01-01

    A detailed experimental and simulation study of the extraction of a 24 keV He+ beam from an ECR ion source and the subsequent beam transport through an analyzing magnet is presented. We find that such a slow ion beam is very sensitive to space-charge forces, but also that the neutralization of the b

  6. Photo induced ionization dynamics of the nitrogen vacancy defect in diamond investigated by single shot charge state detection

    CERN Document Server

    Aslam, N; Neumann, P; Jelezko, F; Wrachtrup, J

    2012-01-01

    The nitrogen-vacancy centre (NV) has drawn much attention for over a decade, yet detailed knowledge of the photophysics needs to be established. Under typical conditions, the NV can have two stable charge states, negative (NV-) or neutral (NV0), with photo induced interconversion of these two states. Here, we present detailed studies of the ionization dynamics of single NV centres in bulk diamond at room temperature during illumination in dependence of the excitation wavelength and power. We apply a recent method which allows us to directly measure the charge state of a single NV centre, and observe its temporal evolution. Results of this work are the steady state NV- population, which was found to be always < 75% for 450 to 610 nm excitation wavelength, the relative absorption cross-section of NV- for 540 to 610 nm, and the energy of the NV- ground state of 2.6 eV below the conduction band. These results will help to further understand the photo-physics of the NV centre.

  7. Influence of state of charge in lead-acid batteries operating in PV systems; Comportamiento no repetitivo de las baterias de plomo-acido operando en sistemas FV.

    Energy Technology Data Exchange (ETDEWEB)

    Vela, N.; Chenlo, F.

    2004-07-01

    Correct determination of the overcharge cut-off voltage is a key point for both the optimal operation and maximum life-time of batteries in photovoltaic (PV) systems. This work presents the results of analysing the influence on charge voltage of different operation conditions, mainly current rate, temperature and state of charge (SOC). From the results obtained we have observed that voltage evolution during a charge process depends on its activation degree of the battery. The battery activation is reached when battery was previously fully charged. So, we can conclude that variation of the charge voltage with time as function of starting point (fully charged or fully discharged) together with current rate and temperature should be taking into account in the battery SOC determination and in the design of charge controllers. (Author)

  8. Quasiparticle Scattering off Defects and Possible Bound States in Charge-Ordered YBa2 Cu3 Oy

    Science.gov (United States)

    Zhou, R.; Hirata, M.; Wu, T.; Vinograd, I.; Mayaffre, H.; Krämer, S.; Horvatić, M.; Berthier, C.; Reyes, A. P.; Kuhns, P. L.; Liang, R.; Hardy, W. N.; Bonn, D. A.; Julien, M.-H.

    2017-01-01

    We report the NMR observation of a skewed distribution of 17O Knight shifts when a magnetic field quenches superconductivity and induces long-range charge-density-wave (CDW) order in YBa2Cu3Oy . This distribution is explained by an inhomogeneous pattern of the local density of states N (EF) arising from quasiparticle scattering off, yet unidentified, defects in the CDW state. We argue that the effect is most likely related to the formation of quasiparticle bound states, as is known to occur, under specific circumstances, in some metals and superconductors (but not in the CDW state, in general, except for very few cases in 1D materials). These observations should provide insight into the microscopic nature of the CDW, especially regarding the reconstructed band structure and the sensitivity to disorder.

  9. Carotenoid to chlorophyll energy transfer in the peridinin–chlorophyll-a–protein complex involves an intramolecular charge transfer state

    Science.gov (United States)

    Zigmantas, Donatas; Hiller, Roger G.; Sundström, Villy; Polívka, Tomáš

    2002-01-01

    Carotenoids are, along with chlorophylls, crucial pigments involved in light-harvesting processes in photosynthetic organisms. Details of carotenoid to chlorophyll energy transfer mechanisms and their dependence on structural variability of carotenoids are as yet poorly understood. Here, we employ femtosecond transient absorption spectroscopy to reveal energy transfer pathways in the peridinin–chlorophyll-a–protein (PCP) complex containing the highly substituted carotenoid peridinin, which includes an intramolecular charge transfer (ICT) state in its excited state manifold. Extending the transient absorption spectra toward near-infrared region (600–1800 nm) allowed us to separate contributions from different low-lying excited states of peridinin. The results demonstrate a special light-harvesting strategy in the PCP complex that uses the ICT state of peridinin to enhance energy transfer efficiency. PMID:12486228

  10. Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution

    DEFF Research Database (Denmark)

    Zhang, Wenkai; Kjær, Kasper Skov; Alonso-Mori, Roberto

    2017-01-01

    state lifetime of iron based complexes due to spin crossover-the extremely fast intersystem crossing and internal conversion to high spin metal-centered excited states. We revitalize a 30 year old synthetic strategy for extending the MLCT excited state lifetimes of iron complexes by making mixed ligand...... iron complexes with four cyanide (CN-;) ligands and one 2,2′-bipyridine (bpy) ligand. This enables MLCT excited state and metal-centered excited state energies to be manipulated with partial independence and provides a path to suppressing spin crossover. We have combined X-ray Free-Electron Laser (XFEL......-visible measurement probes allowed electronic transitions between valence states making it sensitive to ligand-centered electronic states such as MLCT states, whereas the Kβ fluorescence spectroscopy provides a sensitive measure of changes in the Fe spin state characteristic of metal-centered excited states. We...

  11. Extended Kalman filter method for state of charge estimation of vanadium redox flow battery using thermal-dependent electrical model

    Science.gov (United States)

    Xiong, Binyu; Zhao, Jiyun; Wei, Zhongbao; Skyllas-Kazacos, Maria

    2014-09-01

    State of charge (SOC) estimation is a key issue for battery management since an accurate estimation method can ensure safe operation and prevent the over-charge/discharge of a battery. Traditionally, open circuit voltage (OCV) method is utilized to estimate the stack SOC and one open flow cell is needed in each battery stack [1,2]. In this paper, an alternative method, extended Kalman filter (EKF) method, is proposed for SOC estimation for VRBs. By measuring the stack terminal voltages and applied currents, SOC can be predicted with a state estimator instead of an additional open circuit flow cell. To implement EKF estimator, an electrical model is required for battery analysis. A thermal-dependent electrical circuit model is proposed to describe the charge/discharge characteristics of the VRB. Two scenarios are tested for the robustness of the EKF. For the lab testing scenarios, the filtered stack voltage tracks the experimental data despite the model errors. For the online operation, the simulated temperature rise is observed and the maximum SOC error is within 5.5%. It is concluded that EKF method is capable of accurately predicting SOC using stack terminal voltages and applied currents in the absence of an open flow cell for OCV measurement.

  12. Quantized average consensus with delay

    NARCIS (Netherlands)

    Jafarian, Matin; De Persis, Claudio

    2012-01-01

    Average consensus problem is a special case of cooperative control in which the agents of the network asymptotically converge to the average state (i.e., position) of the network by transferring information via a communication topology. One of the issues of the large scale networks is the cost of co

  13. Charge compensation assisted enhanced photoluminescence derived from Li-codoped MgAl2O4:Eu3+ nanophosphors for solid state lighting applications.

    Science.gov (United States)

    Saha, Subhajit; Das, Swati; Ghorai, Uttam Kumar; Mazumder, Nilesh; Gupta, Bipin Kumar; Chattopadhyay, Kalyan Kumar

    2013-09-28

    Highly-luminescent nanophosphors have a decisive role in solid-state lighting (SSL) as well as in field emission display (FED) applications due to their potential use in fabrication of nanophosphor based FED and solid state display devices. Herein, the red emitting highly-luminescent Eu(3+)-Li(+) co-doped magnesium aluminate (MgAl2O4) nanophosphors were synthesized by a customized sol-gel route with an average particle size of 18 nm, which can be easily scaled up in a large quantity. The resulting nanophosphor exhibits hypersensitive red emission, peaking at 615 nm upon 394 nm excitation. Furthermore, comparative photoluminescence (PL) studies have been carried out for Eu(3+) doped and Eu(3+) doped-Li(+) co-doped magnesium aluminate (Li(+) co-doped MgAl2O4:Eu(3+)) nanophosphors, which indicated that Li(+) co-doping significantly improves luminescence intensity along with good crystallinity. Moreover, the charge compensation by addition of Li(+) co-activator in MgAl2O4:Eu(3+) lattice led to the two fold enhancement of PL intensity. The obtained results suggest that this nanophosphor could be an ultimate choice for next generation advanced luminescent nanomaterials for solid state lighting and portable FED devices.

  14. Generation of localized magnetic moments in the charge-density-wave state

    Science.gov (United States)

    Akzyanov, Ramil S.; Rozhkov, Alexander V.

    2015-08-01

    We propose a mechanism explaining the generation of localized magnetic moments in charge-density-wave compounds. Our model Hamiltonian describes an Anderson impurity placed in a host material exhibiting the charge-density wave. There is a region of the model's parameter space, where even weak Coulomb repulsion on the impurity site is able to localize the magnetic moment on the impurity. The phase diagram of a single impurity at T = 0 is mapped. To establish the connection with experiment, the thermodynamic properties of a random impurity ensemble is studied. Magnetic susceptibility of the ensemble diverges at low temperature; heat capacity as a function of the magnetic field demonstrates pronounced low field peak. Both features are consistent with experiments on orthorhombic TaS3 and blue bronze.

  15. Top Quark Pair Properties - Spin Correlation, Charge Asymmetry, and Complex Final States - at ATLAS

    Directory of Open Access Journals (Sweden)

    Brost Elizabeth

    2014-04-01

    Full Text Available We present measurements of top quark pair properties performed with the ATLAS detector at the Large Hadron Collider in proton-proton collisions at a center-of-mass energy of √s = 7 TeV. The latest measurements of spin correlation and charge asymmetry in tt¯$t\\overline t $ events, as well as measurements of the cross section for tt¯$t\\overline t $ production in association with vector bosons, are presented.

  16. Alternative Fuel Vehicle Adoption Increases Fleet Gasoline Consumption and Greenhouse Gas Emissions under United States Corporate Average Fuel Economy Policy and Greenhouse Gas Emissions Standards.

    Science.gov (United States)

    Jenn, Alan; Azevedo, Inês M L; Michalek, Jeremy J

    2016-03-01

    The United States Corporate Average Fuel Economy (CAFE) standards and Greenhouse Gas (GHG) Emission standards are designed to reduce petroleum consumption and GHG emissions from light-duty passenger vehicles. They do so by requiring automakers to meet aggregate criteria for fleet fuel efficiency and carbon dioxide (CO2) emission rates. Several incentives for manufacturers to sell alternative fuel vehicles (AFVs) have been introduced in recent updates of CAFE/GHG policy for vehicles sold from 2012 through 2025 to help encourage a fleet technology transition. These incentives allow automakers that sell AFVs to meet less-stringent fleet efficiency targets, resulting in increased fleet-wide gasoline consumption and emissions. We derive a closed-form expression to quantify these effects. We find that each time an AFV is sold in place of a conventional vehicle, fleet emissions increase by 0 to 60 t of CO2 and gasoline consumption increases by 0 to 7000 gallons (26,000 L), depending on the AFV and year of sale. Using projections for vehicles sold from 2012 to 2025 from the Energy Information Administration, we estimate that the CAFE/GHG AFV incentives lead to a cumulative increase of 30 to 70 million metric tons of CO2 and 3 to 8 billion gallons (11 to 30 billion liters) of gasoline consumed over the vehicles' lifetimes - the largest share of which is due to legacy GHG flex-fuel vehicle credits that expire in 2016. These effects may be 30-40% larger in practice than we estimate here due to optimistic laboratory vehicle efficiency tests used in policy compliance calculations.

  17. Estimation of State of Charge for Two Types of Lithium-Ion Batteries by Nonlinear Predictive Filter for Electric Vehicles

    Directory of Open Access Journals (Sweden)

    Yin Hua

    2015-04-01

    Full Text Available Estimation of state of charge (SOC is of great importance for lithium-ion (Li-ion batteries used in electric vehicles. This paper presents a state of charge estimation method using nonlinear predictive filter (NPF and evaluates the proposed method on the lithium-ion batteries with different chemistries. Contrary to most conventional filters which usually assume a zero mean white Gaussian process noise, the advantage of NPF is that the process noise in NPF is treated as an unknown model error and determined as a part of the solution without any prior assumption, and it can take any statistical distribution form, which improves the estimation accuracy. In consideration of the model accuracy and computational complexity, a first-order equivalent circuit model is applied to characterize the battery behavior. The experimental test is conducted on the LiCoO2 and LiFePO4 battery cells to validate the proposed method. The results show that the NPF method is able to accurately estimate the battery SOC and has good robust performance to the different initial states for both cells. Furthermore, the comparison study between NPF and well-established extended Kalman filter for battery SOC estimation indicates that the proposed NPF method has better estimation accuracy and converges faster.

  18. Evidence for spin-to-charge conversion by Rashba coupling in metallic states at the Fe/Ge(111) interface

    Science.gov (United States)

    Oyarzún, S.; Nandy, A. K.; Rortais, F.; Rojas-Sánchez, J.-C.; Dau, M.-T.; Noël, P.; Laczkowski, P.; Pouget, S.; Okuno, H.; Vila, L.; Vergnaud, C.; Beigné, C.; Marty, A.; Attané, J.-P.; Gambarelli, S.; George, J.-M.; Jaffrès, H.; Blügel, S.; Jamet, M.

    2016-12-01

    The spin-orbit coupling relating the electron spin and momentum allows for spin generation, detection and manipulation. It thus fulfils the three basic functions of the spin field-effect transistor. However, the spin Hall effect in bulk germanium is too weak to produce spin currents, whereas large Rashba effect at Ge(111) surfaces covered with heavy metals could generate spin-polarized currents. The Rashba spin splitting can actually be as large as hundreds of meV. Here we show a giant spin-to-charge conversion in metallic states at the Fe/Ge(111) interface due to the Rashba coupling. We generate very large charge currents by direct spin pumping into the interface states from 20 K to room temperature. The presence of these metallic states at the Fe/Ge(111) interface is demonstrated by first-principles electronic structure calculations. By this, we demonstrate how to take advantage of the spin-orbit coupling for the development of the spin field-effect transistor.

  19. Mid-Infrared Conductivity from Mid-Gap States Associated with Charge Stripes

    OpenAIRE

    Homes, C. C.; Tranquada, J. M.; Li, Q; Moodenbaugh, A. R.; Buttrey, D. J.

    2002-01-01

    The optical conductivity of La(2-x)Sr(x)NiO(4) has been interpreted in various ways, but so far the proposed interpretations have neglected the fact that the holes doped into the NiO(2) planes order in diagonal stripes, as established by neutron and X-ray scattering. Here we present a study of optical conductivity in La(2)NiO(4+d) with d=2/15, a material in which the charge stripes order three-dimensionally. We show that the conductivity can be decomposed into two components, a mid-infrared p...

  20. Top quark pair properties: spin correlation, charge asymmetry and complex final states at LHC in ATLAS

    Directory of Open Access Journals (Sweden)

    Rubbo Francesco

    2013-11-01

    Full Text Available In proton–proton collisions at the LHC, pairs of top and anti-top quarks are expected to be mostly produced through gluon fusion, in contrast to production at the Tevatron, where quark annihilation dominates. Making use of the large number of top quark pairs, we present measurements of the spin correlation between top and anti-top quarks as well as of the top quark charge asymmetry, which constitute important tests of QCD and are sensitive to new physics. We also discuss top production in association of photons and Z bosons.

  1. ECR Ion Source of High Charge States%高电荷态ECR离子源

    Institute of Scientific and Technical Information of China (English)

    张子民; 刘占稳; 赵红卫

    2000-01-01

    介绍了目前ECR离子源的发展状况和国际上几台典型的ECR离子源.%Electron cyclotron resonance (ECR) ion source is the most efficient facility for producing highly charged ions.So far more than 1 emA of O6+ and 0.02eμA of U55+ have been delivered by ECR ion source. In this paper the latest develop-ment of ECR ion source is presented and several typical ECR ion sources in the world is introduced.

  2. Near-Infrared-Enhanced Charge-State Conversion for Low-Power Optical Nanoscopy with Nitrogen-Vacancy Centers in Diamond

    Science.gov (United States)

    Chen, Xiang-Dong; Li, Shen; Shen, Ao; Dong, Yang; Dong, Chun-Hua; Guo, Guang-Can; Sun, Fang-Wen

    2017-01-01

    The near-infrared (NIR) photon pumped optical physics of nitrogen-vacancy (NV) centers in diamond is experimentally studied by considering both the charge-state conversion and stimulated emission. We find that the NIR laser can help to highly increase the charge-state conversion rate and, subsequently, can be applied to improve the performance of charge-state-depletion (CSD) nanoscopy. Using a doughnut-shaped visible laser beam and a Gaussian-shaped NIR laser beam for charge-state manipulation, we develop a low-power two-depletion-laser CSD nanoscopy for NV centers. Without dropping the imaging resolution, the visible depletion-laser intensity is approximately 10 times lower than that in the single-depletion-laser CSD. With high spatial resolution and low laser power, the CSD nanoscopy can be used for nanoscale quantum sensing with NV centers.

  3. Generation of high charge state metal ion beams by electron cyclotron resonance heating of vacuum arc plasma in cusp trap.

    Science.gov (United States)

    Nikolaev, A G; Savkin, K P; Oks, E M; Vizir, A V; Yushkov, G Yu; Vodopyanov, A V; Izotov, I V; Mansfeld, D A

    2012-02-01

    A method for generating high charge state heavy metal ion beams based on high power microwave heating of vacuum arc plasma confined in a magnetic trap under electron cyclotron resonance conditions has been developed. A feature of the work described here is the use of a cusp magnetic field with inherent "minimum-B" structure as the confinement geometry, as opposed to a simple mirror device as we have reported on previously. The cusp configuration has been successfully used for microwave heating of gas discharge plasma and extraction from the plasma of highly charged, high current, gaseous ion beams. Now we use the trap for heavy metal ion beam generation. Two different approaches were used for injecting the vacuum arc metal plasma into the trap--axial injection from a miniature arc source located on-axis near the microwave window, and radial injection from sources mounted radially at the midplane of the trap. Here, we describe preliminary results of heating vacuum arc plasma in a cusp magnetic trap by pulsed (400 μs) high power (up to 100 kW) microwave radiation at 37.5 GHz for the generation of highly charged heavy metal ion beams.

  4. Charge-exchange scattering to the isobaric analog state at medium energies as a probe of the neutron skin

    CERN Document Server

    Loc, Bui Minh; Zegers, R G T

    2014-01-01

    The charge-exchange (3He,t) scattering to the isobaric analog state (IAS) of the target can be considered as "elastic" scattering of 3He by the isovector term of the optical potential (OP) that flips the projectile isospin. Therefore, the accurately measured charge-exchange scattering cross- section for the IAS can be a good probe of the isospin dependence of the OP, which is determined exclusively within the folding model by the difference between the neutron and proton densities and isospin dependence of the nucleon-nucleon interaction. Given the neutron skin of the target is related directly to the same density difference, it can be well probed in the analysis of the charge- exchange (3He,t) reactions at medium energies when the two-step processes can be neglected and the t-matrix interaction can be used in the folding calculation. For this purpose, the data of the (3He,t) scattering to the IAS of 90Zr and 208Pb targets at Elab = 420 MeV have been analyzed in the distorted wave Born approximation using the...

  5. Charge exchange and energy loss of slow highly charged ions in 1 nm thick carbon nanomembranes.

    Science.gov (United States)

    Wilhelm, Richard A; Gruber, Elisabeth; Ritter, Robert; Heller, René; Facsko, Stefan; Aumayr, Friedrich

    2014-04-18

    Experimental charge exchange and energy loss data for the transmission of slow highly charged Xe ions through ultrathin polymeric carbon membranes are presented. Surprisingly, two distinct exit charge state distributions accompanied by charge exchange dependent energy losses are observed. The energy loss for ions exhibiting large charge loss shows a quadratic dependency on the incident charge state indicating that equilibrium stopping force values do not apply in this case. Additional angle resolved transmission measurements point on a significant contribution of elastic energy loss. The observations show that regimes of different impact parameters can be separated and thus a particle's energy deposition in an ultrathin solid target may not be described in terms of an averaged energy loss per unit length.

  6. Threshold-Based Random Charging Scheme for Decentralized PEV Charging Operation in a Smart Grid

    Directory of Open Access Journals (Sweden)

    Ojin Kwon

    2016-12-01

    Full Text Available Smart grids have been introduced to replace conventional power distribution systems without real time monitoring for accommodating the future market penetration of plug-in electric vehicles (PEVs. When a large number of PEVs require simultaneous battery charging, charging coordination techniques have become one of the most critical factors to optimize the PEV charging performance and the conventional distribution system. In this case, considerable computational complexity of a central controller and exchange of real time information among PEVs may occur. To alleviate these problems, a novel threshold-based random charging (TBRC operation for a decentralized charging system is proposed. Using PEV charging thresholds and random access rates, the PEVs themselves can participate in the charging requests. As PEVs with a high battery state do not transmit the charging requests to the central controller, the complexity of the central controller decreases due to the reduction of the charging requests. In addition, both the charging threshold and the random access rate are statistically calculated based on the average of supply power of the PEV charging system that do not require a real time update. By using the proposed TBRC with a tolerable PEV charging degradation, a 51% reduction of the PEV charging requests is achieved.

  7. Cold neutral atoms via charge exchange from excited state positronium: a proposal

    CERN Document Server

    Bertsche, W A; Eriksson, S

    2016-01-01

    We present a method for generating cold neutral atoms via charge exchange reactions between trapped ions and Rydberg positronium. The high charge exchange reaction cross section leads to efficient neutralisation of the ions and since the positronium-ion mass ratio is small, the neutrals do not gain appreciable kinetic energy in the process. When the original ions are cold the reaction produces neutrals that can be trapped or further manipulated with electromagnetic fields. Because a wide range of species can be targeted we envisage that our scheme may enable experiments at low temperature that have been hitherto intractable due to a lack of cooling methods. We present an estimate for achievable temperatures, neutral number and density in an experiment where the neutrals are formed at a milli-Kelvin temperature from either directly or sympathetically cooled ions confined on an ion chip. The neutrals may then be confined by their magnetic moment in a co-located magnetic minimum well also formed on the chip. We ...

  8. Excited state intramolecular charge transfer reaction of 4-(morpholenyl) benzonitrile in solution: Effects of hetero atom in the donor moiety

    Indian Academy of Sciences (India)

    Tuhin Pradhan; Harun Al Rasid Gazi; Ranjit Biswas

    2010-07-01

    An intramolecular charge transfer (ICT) molecule with an extra hetero atom in its donor moiety has been synthesized in order to investigate how ICT reaction is affected by hetero atom replacement. Photo-physical and photo-dynamical properties of this molecule, 4-(morpholenyl)benzonitrile (M6C), have been studied in 20 different solvents. The correlation between the reaction driving force (- ) and activation barrier ( #) has been explored in order to understand the solvent effects (static and dynamic) on the photo-excited ICT reaction in this molecule. A Kramer’s model analysis of the experimentally observed reaction rate constants indicates a solvent-averaged activation barrier of ∼ 4 in the absence of solvent dynamical control. The reaction in M6C is therefore not a barrier-less reaction but close to the limit where conventional kinetics might break down.

  9. Binding of β-Amyloid (1–42) Peptide to Negatively Charged Phospholipid Membranes in the Liquid-Ordered State: Modeling and Experimental Studies

    OpenAIRE

    Ahyayauch, Hasna; Raab, Michal; Busto, Jon V.; Andraka, Nagore; Arrondo, José-Luis R.; Masserini, Massimo; Tvaroska, Igor; Goñi, Félix M.

    2012-01-01

    To explore the initial stages of amyloid β peptide (Aβ42) deposition on membranes, we have studied the interaction of Aβ42 in the monomeric form with lipid monolayers and with bilayers in either the liquid-disordered or the liquid-ordered (Lo) state, containing negatively charged phospholipids. Molecular dynamics (MD) simulations of the system have been performed, as well as experimental measurements. For bilayers in the Lo state, in the absence of the negatively charged lipids, interaction i...

  10. Attributes for NHDPlus Catchments (Version 1.1) for the Conterminous United States: Average Atmospheric (Wet) Deposition of Inorganic Nitrogen, 2002

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This data set represents the average atmospheric (wet) deposition, in kilograms per square kilometer, of inorganic nitrogen for the year 2002 compiled for every...

  11. Attributes for NHDPlus Catchments (Version 1.1) for the Conterminous United States: 30-Year Average Annual Precipitation, 1971-2000

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This data set represents the 30-year (1971-2000) average annual precipitation in millimeters multiplied by 100 compiled for every catchment of NHDPlus for the...

  12. Attributes for NHDPlus Catchments (Version 1.1) for the Conterminous United States: 30-Year Average Annual Maximum Temperature, 1971-2000

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This data set represents the 30-year (1971-2000) average annual maximum temperature in Celsius multiplied by 100 compiled for every catchment of NHDPlus for the...

  13. Attributes for NHDPlus Catchments (Version 1.1) for the Conterminous United States: 30-Year Average Annual Minimum Temperature, 1971-2000

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This data set represents the 30-year (1971-2000) average annual minimum temperature in Celsius multiplied by 100 compiled for every catchment of NHDPlus for the...

  14. EnviroAtlas - Average Direct Normal Solar resources kWh/m2/Day by 12-Digit HUC for the Conterminous United States

    Data.gov (United States)

    U.S. Environmental Protection Agency — The annual average direct normal solar resources by 12-Digit Hydrologic Unit (HUC) was estimated from maps produced by the National Renewable Energy Laboratory for...

  15. Attributes for MRB_E2RF1 Catchments by Major River Basins in the Conterminous United States: 30-Year Average Annual Precipitation, 1971-2000

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This tabular data set represents the 30-year (1971-2000) average annual precipitation in millimeters multiplied by 100 compiled for every MRB_E2RF1 catchment of...

  16. Attributes for MRB_E2RF1 Catchments by Major River Basins in the Conterminous United States: Average Atmospheric (Wet) Deposition of Inorganic Nitrogen, 2002

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This tabular data set represents the average atmospheric (wet) deposition, in kilograms per square kilometer, of inorganic nitrogen for the year 2002 compiled for...

  17. Interfacial Charge States in Graphene on SiC Studied by Noncontact Scanning Nonlinear Dielectric Potentiometry.

    Science.gov (United States)

    Yamasue, Kohei; Fukidome, Hirokazu; Funakubo, Kazutoshi; Suemitsu, Maki; Cho, Yasuo

    2015-06-05

    We investigate pristine and hydrogen-intercalated graphene synthesized on a 4H-SiC(0001) substrate by using noncontact scanning nonlinear dielectric potentiometry (NC-SNDP). Permanent dipole moments are detected at the pristine graphene-SiC interface. These originate from the covalent bonds of carbon atoms of the so-called buffer layer to the substrate. Hydrogen intercalation at the interface eliminates these covalent bonds and the original quasi-(6×6) corrugation, which indicates the conversion of the buffer layer into a second graphene layer by the termination of Si bonds at the interface. NC-SNDP images suggest that a certain portion of the Si dangling bonds remains even after hydrogen intercalation. These bonds are thought to act as charged impurities reducing the carrier mobility in hydrogen-intercalated graphene on SiC.

  18. Tight-binding molecular dynamics simulation of charge state effects in semiconductors

    CERN Document Server

    Khakimov, Z M; Sulaymonov, N T; Kiv, A E; Levin, A A

    2002-01-01

    New model of Si-H bond dissociation has been proposed and tested in the cluster Si sub 1 sub 0 H sub 1 sub 6 by the simulation approach that combines classical molecular dynamics method and the self-consistent tight-binding electronic and total energy calculation one. It is shown that the monohydride Si-H bond is unstable with respect to formation of silicon dangling bond and bend bridge Si-H-Si bond when this cluster traps the single positive charge. In this case hydrogen atom migrates rather rotating around Si-Si bond than crossing the center of this bond (the bond-centered position). The model can be useful for understanding hydrogen related phenomena at surfaces, interfaces, internal voids of various hydrogenated silicon systems: electronic devices, silicon solar cells, and nanocrystalline and porous silicon. (author)

  19. Interfacial Charge States in Graphene on SiC Studied by Noncontact Scanning Nonlinear Dielectric Potentiometry

    Science.gov (United States)

    Yamasue, Kohei; Fukidome, Hirokazu; Funakubo, Kazutoshi; Suemitsu, Maki; Cho, Yasuo

    2015-06-01

    We investigate pristine and hydrogen-intercalated graphene synthesized on a 4 H -SiC (0001 ) substrate by using noncontact scanning nonlinear dielectric potentiometry (NC-SNDP). Permanent dipole moments are detected at the pristine graphene-SiC interface. These originate from the covalent bonds of carbon atoms of the so-called buffer layer to the substrate. Hydrogen intercalation at the interface eliminates these covalent bonds and the original quasi-(6 ×6 ) corrugation, which indicates the conversion of the buffer layer into a second graphene layer by the termination of Si bonds at the interface. NC-SNDP images suggest that a certain portion of the Si dangling bonds remains even after hydrogen intercalation. These bonds are thought to act as charged impurities reducing the carrier mobility in hydrogen-intercalated graphene on SiC.

  20. A Collimation Scheme for Ions Changing Charge State in the LEIR Ring

    CERN Document Server

    Pasternak, Jaroslaw; Carli, Christian; Chanel, Michel; Mahner, Edgar

    2005-01-01

    Avalanche-like pressure rise and an associated decrease of the beam life-time, caused by (i) beam loss due to charge exchange interactions with rest gas molecules and (ii) electron capture from the electron beam of the electron cooler and (iii) ion impact induced outgassing, is a potential limitation for heavy ion accelerators. The vacuum system of the LEIR ring as to be upgraded to reach the dynamical vacuum pressure in the low 10-12 Torr range necessary to reach design performance. A collimation system to intercept lost ions by absorber blocks made of low beam-induced outgassing material will be installed. This paper reviews the collimation scheme and simulations of beam loss patterns around the ring.

  1. A New State of Charge Estimation Method for LiFePO4 Battery Packs Used in Robots

    Directory of Open Access Journals (Sweden)

    Han-Pang Huang

    2013-04-01

    Full Text Available The accurate state of charge (SOC estimation of the LiFePO4 battery packs used in robot applications is required for better battery life cycle, performance, reliability, and economic issues. In this paper, a new SOC estimation method, “Modified ECE + EKF”, is proposed. The method is the combination of the modified Equivalent Coulombic Efficiency (ECE method and the Extended Kalman Filter (EKF method. It is based on the zero-state hysteresis battery model, and adopts the EKF method to correct the initial value used in the Ah counting method. Experimental results show that the proposed technique is superior to the traditional techniques, such as ECE + EKF and ECE + Unscented Kalman Filter (UKF, and the accuracy of estimation is within 1%.

  2. A New State of Charge Estimation Method for LiFePO4 Battery Packs Used in Robots

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-04-15

    The accurate state of charge (SOC) estimation of the LiFePO4 battery packs used in robot applications is required for better battery life cycle, performance, reliability, and economic issues. In this paper, a new SOC estimation method, ''Modified ECE + EKF'', is proposed. The method is the combination of the modified Equivalent Coulombic Efficiency (ECE) method and the Extended Kalman Filter (EKF) method. It is based on the zero-state hysteresis battery model, and adopts the EKF method to correct the initial value used in the Ah counting method. Experimental results show that the proposed technique is superior to the traditional techniques, such as ECE + EKF and ECE + Unscented Kalman Filter (UKF), and the accuracy of estimation is within 1%.

  3. Monte Carlo simulation and equation of state for flexible charged hard-sphere chain fluids: polyampholyte and polyelectrolyte solutions.

    Science.gov (United States)

    Jiang, Hao; Adidharma, Hertanto

    2014-11-07

    The thermodynamic modeling of flexible charged hard-sphere chains representing polyampholyte or polyelectrolyte molecules in solution is considered. The excess Helmholtz energy and osmotic coefficients of solutions containing short polyampholyte and the osmotic coefficients of solutions containing short polyelectrolytes are determined by performing canonical and isobaric-isothermal Monte Carlo simulations. A new equation of state based on the thermodynamic perturbation theory is also proposed for flexible charged hard-sphere chains. For the modeling of such chains, the use of solely the structure information of monomer fluid for calculating the chain contribution is found to be insufficient and more detailed structure information must therefore be considered. Two approaches, i.e., the dimer and dimer-monomer approaches, are explored to obtain the contribution of the chain formation to the Helmholtz energy. By comparing with the simulation results, the equation of state with either the dimer or dimer-monomer approach accurately predicts the excess Helmholtz energy and osmotic coefficients of polyampholyte and polyelectrolyte solutions except at very low density. It also well captures the effect of temperature on the thermodynamic properties of these solutions.

  4. THE STUDY OF ENERGY STATES OF CHARGED CARRIERS ON THE SEMICONDUCTOR LASERS

    Directory of Open Access Journals (Sweden)

    Mustafa TEMİZ

    2002-02-01

    Full Text Available In the active regions of the semiconductor lasers electrons interact with the electromagnetic fields and exchange their energy states and so the atomic energy levels and meanwhile their excess energy is transferred to optical energy. During this exchange the energy states of electrons change. Because the change of the electron energy states affects the threshold current, this energy change is important in the semiconductor laser band engineering. In this work the behaviour of the energy of the electrons and their eigenstates on the heterojunction semiconductor lasers and so the atomic energy levels are investigated.

  5. Charge-resonance excitations in symmetric molecules - Comparison of linear response DFT with CC3 for the excited states of a model dimer

    DEFF Research Database (Denmark)

    Kuhlman, Thomas Scheby; Mikkelsen, Kurt V.; Møller, Klaus Braagaard;

    2009-01-01

    We present a study on the excited states of an ethylene dimer as to investigate the presence of and perturbation from low-lying charge-resonance states calculated by linear response density functional theory (DFT) using the B3LYP and CAM-B3LYP functionals. The calculations are compared to a refer......We present a study on the excited states of an ethylene dimer as to investigate the presence of and perturbation from low-lying charge-resonance states calculated by linear response density functional theory (DFT) using the B3LYP and CAM-B3LYP functionals. The calculations are compared...

  6. Information about the state of a charge qubit gained by a weakly coupled quantum point contact

    Energy Technology Data Exchange (ETDEWEB)

    Ashhab, S; You, J Q; Nori, Franco [Advanced Science Institute, Institute of Physical and Chemical Research (RIKEN), Wako-shi, Saitama 351-0198 (Japan)], E-mail: ashhab@riken.jp

    2009-12-15

    We analyze the information that one can learn about the state of a quantum two-level system, i.e. a qubit, when probed weakly by a nearby detector. We consider the general case where the qubit Hamiltonian and the qubit's operator probed by the detector do not commute. Because the qubit's state keeps evolving while being probed and the measurement data is mixed with a detector-related background noise, one might expect the detector to fail in this case. We show, however, that under suitable conditions and by proper analysis of the measurement data, useful information about the initial state of the qubit can be extracted. Our approach complements the usual master-equation and quantum-trajectory approaches, which describe the evolution of the qubit's quantum state during the measurement process but do not keep track of the acquired measurement information.

  7. BREIT code: Analytical solution of the balance rate equations for charge-state evolutions of heavy-ion beams in matter

    Science.gov (United States)

    Winckler, N.; Rybalchenko, A.; Shevelko, V. P.; Al-Turany, M.; Kollegger, T.; Stöhlker, Th.

    2017-02-01

    A detailed description of a recently developed BREIT computer code (Balance Rate Equations of Ion Transportation) for calculating charge-state fractions of ion beams passing through matter is presented. The code is based on the analytical solutions of the differential balance equations for the charge-state fractions as a function of the target thickness and can be used for calculating the ion evolutions in gaseous, solid and plasma targets. The BREIT code is available on-line and requires the charge-changing cross sections and initial conditions in the input file. The eigenvalue decomposition method, applied to obtain the analytical solutions of the rate equations, is described in the paper. Calculations of non-equilibrium and equilibrium charge-state fractions, performed by the BREIT code, are compared with experimental data and results of other codes for ion beams in gaseous and solid targets. Ability and limitations of the BREIT code are discussed in detail.

  8. Magneto-photocurrent in organic photovoltaic cells; the effect of short-lived charge transfer states

    Science.gov (United States)

    Ehrenfreund, Eitan; Devir-Wolfman, A.; Khachatryan, B.; Gautam, B.; Tessler, N.; Vardeny, Z. V.

    2014-03-01

    The spin degrees of freedom are responsible for the magnetic field effects in organic devices at low magnetic fields. The MFE is formed via a variety of spin-mixing mechanisms, such as the hyperfine (typical strength: Bhf<0.003 T), triplet-polaron or triplet-triplet (Btrip<0.1 T) interactions, that limit the response by their respective strength. We report on magneto-photocurrent (MPC) response of bulk hetero-junction organic photovoltaic cells in an extended field range B =0.00005 - 8 Tesla, and found that spin mixing mechanisms are still operative even at the highest fields. In fact, the response MPC(B) can be divided into three main regions, each with a different sign: sharp response that increases with B up to B1 ~ 0.04 T; broad response that decreases with B in the range from B1 to B2 ~ 0.3-0.7 T; and even broader response that increases above B2; this response does not saturate even at 8.5 T. We attribute the latter MPC component to short-lived charge transfer excitons (CTE) where spin-mixing is caused by the difference of the donor/acceptor g factors; a mechanism that is increasingly more effective at high magnetic field. Supported by the US-Israel BSF.

  9. Attributes for MRB_E2RF1 Catchments by Major River Basins in the Conterminous United States: 30-Year Average Annual Precipitation, 1971-2000

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — This tabular data set represents the 30-year (1971-2000) catchment-average total annual precipitation in millimeters multiplied by 100 compiled for every MRB_E2RF1...

  10. Charge transfer of edge states in zigzag silicene nanoribbons with Stone–Wales defects from first-principles

    Energy Technology Data Exchange (ETDEWEB)

    Ting, Xie [College of Mathematics and Statistics, Chongqing University, Chongqing 401331 (China); School of Mathematics and Statistic, Chongqing University of Technology, Chongqing 400054 (China); Rui, Wang, E-mail: rcwang@cqu.edu.cn [Institute for Structure and Function and Department of Physics, Chongqing University, Chongqing 400044 (China); State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Science, Beijing 100190 (China); Shaofeng, Wang [Institute for Structure and Function and Department of Physics, Chongqing University, Chongqing 400044 (China); Xiaozhi, Wu, E-mail: xiaozhiwu@cqu.edu.cn [Institute for Structure and Function and Department of Physics, Chongqing University, Chongqing 400044 (China)

    2016-10-15

    Highlights: • The properties of SW defects in silicene and ZSNRs are obtained. • The SW defects at the edge of ZSNRs induce a sizable gap. • The charge transfer of edge states is resulted from SW defects in ZSNRS. - Abstract: Stone–Wales (SW) defects are favorably existed in graphene-like materials with honeycomb lattice structure and potentially employed to change the electronic properties in band engineering. In this paper, we investigate structural and electronic properties of SW defects in silicene sheet and its nanoribbons as a function of their concentration using the methods of periodic boundary conditions with first-principles calculations. We first calculate the formation energy, structural properties, and electronic band structures of SW defects in silicene sheet, with dependence on the concentration of SW defects. Our results show a good agreement with available values from the previous first-principles calculations. The energetics, structural aspects, and electronic properties of SW defects with dependence on defect concentration and location in edge-hydrogenated zigzag silicene nanoribbons are obtained. For all calculated concentrations, the SW defects prefer to locate at the edge due to the lower formation energy. The SW defects at the center of silicene nanoribbons slightly influence on the electronic properties, whereas the SW defects at the edge of silicene nanoribbons split the degenerate edge states and induce a sizable gap, which depends on the concentration of defects. It is worth to find that the SW defects produce a perturbation repulsive potential, which leads the decomposed charge of edge states at the side with defect to transfer to the other side without defect.

  11. Influence of charge transfer state on Eu3+ luminescence in LaAlO3, by high pressure spectroscopy

    Science.gov (United States)

    Behrendt, Mirosław; Mahlik, Sebastian; Grinberg, Marek; Stefańska, Dagmara; Dereń, Przemysław J.

    2017-01-01

    The contribution presents spectroscopic characterization of LaAlO3 doped with 0.5 mol %. Eu3+. We measured steady state luminescence, luminescence excitation spectra, as well as the time resolved spectra and luminescence kinetics. The experiments were performed at high hydrostatic pressure applied in diamond anvil cell (DAC) which was changed from ambient to 250 kbar. We found that for all pressures the emission from the 5D0 and 5D1 excited emitting state of Eu3+ was delayed in time after excitation pulse whilst emission from the 5D2 appear immediately after excitation. At pressure above 12 kbar the strong magnification of the luminescence lines related to the transitions from the 5D3 state which were very weak at ambient condition is observed. The emission decay of the 5D3 luminescence become slower when pressure is increased. All these effects are attributed to pressure-induced increase of the energy of the ground electronic configuration 4f6 of the Eu2+ with respect to the valence band edge which results in the charge transfer state, and 5D3 level crossing.

  12. Calculations of state-selective differential cross sections for charge transfer in collisions between O3+ and H2

    Institute of Scientific and Technical Information of China (English)

    Chi Bao-Qian; Liu Ling; Wang Jian-Guo

    2008-01-01

    The non-dissociative charge-transfer processes in collisions between O3+ and H2 are investigated by using the quantum-mechanical molecular-orbital coupled-channel (QMOCC) method. The adiabatic potentials and radial cou-pling matrix elements.utilized in the QMOCC calculations are obtained with the spin-coupled valence-bond approach. Electronic and vibrational state-selective differential cross sections are presented for projectile energies of 0.1, 1.0 and 10.0 eV/u in the H2 orientation angles of 45° and 89°. The electronic and the vibrational state-selective differential cross sections show similar behaviours: they decrease as the scattering angle increases, and beyond a specific angle the oscillating structures appear. Moreover, it is also found that the vibrational state-selective differential cross sections are strongly orientation-dependent, which provides a possibility to determine the orientations of molecule H2 by identifying the vibrational state-selective differential scattering processes.

  13. Adaptive estimation of state of charge and capacity with online identified battery model for vanadium redox flow battery

    Science.gov (United States)

    Wei, Zhongbao; Tseng, King Jet; Wai, Nyunt; Lim, Tuti Mariana; Skyllas-Kazacos, Maria

    2016-11-01

    Reliable state estimate depends largely on an accurate battery model. However, the parameters of battery model are time varying with operating condition variation and battery aging. The existing co-estimation methods address the model uncertainty by integrating the online model identification with state estimate and have shown improved accuracy. However, the cross interference may arise from the integrated framework to compromise numerical stability and accuracy. Thus this paper proposes the decoupling of model identification and state estimate to eliminate the possibility of cross interference. The model parameters are online adapted with the recursive least squares (RLS) method, based on which a novel joint estimator based on extended Kalman Filter (EKF) is formulated to estimate the state of charge (SOC) and capacity concurrently. The proposed joint estimator effectively compresses the filter order which leads to substantial improvement in the computational efficiency and numerical stability. Lab scale experiment on vanadium redox flow battery shows that the proposed method is highly authentic with good robustness to varying operating conditions and battery aging. The proposed method is further compared with some existing methods and shown to be superior in terms of accuracy, convergence speed, and computational cost.

  14. First state selective electron capture measurements with trapped highly charged ions

    NARCIS (Netherlands)

    Bliek, F.W.; Woestenenk, G.R.; Hoekstra, R.A.; Morgenstern, R.W.H.

    1997-01-01

    The first state selective electron capture cross section measurements at eV energies are reported for collisions between C4+ ions and H-2 molecules. The cross sections are measured in a crossed beam experiment by means of Photon Emission Spectroscopy. The ion beams are decelerated in an octopole ion

  15. The effect of solvent polarity on the balance between charge transfer and non-charge transfer pathways in the sensitization of singlet oxygen by pipi triplet states.

    Science.gov (United States)

    Schmidt, Reinhard

    2006-05-11

    A large set of literature kinetic data on triplet (T(1)) sensitization of singlet oxygen by two series of biphenyl and naphthalene sensitizers in solvents of strongly different polarity has been analyzed. The rate constants and the efficiencies of singlet oxygen formation are quantitatively reproduced by a model that assumes the competition of a non-charge transfer (nCT) and a CT deactivation channel. nCT deactivation occurs from a fully established spin-statistical equilibrium of (1)(T(1)(3)Sigma) and (3)(T(1)(3)Sigma) encounter complexes by internal conversion (IC) to lower excited complexes that dissociate to yield O(2)((1)Sigma(g)(+)), O(2)((1)Delta(g)), and O(2)((3)Sigma(g)(-)). IC of (1,3)(T(1)(3)Sigma) encounter complexes is controlled by an energy gap law that is generally valid for the transfer of electronic energy to and from O(2). (1,3)(T(1)(3)Sigma) nCT complexes form in competition to IC (1)(T(1)(3)Sigma) and (3)(T(1)(3)Sigma) exciplexes if CT interactions between T(1) and O(2) are important. The rate constants of exciplex formation depend via a Marcus type parabolic model on the corresponding free energy change DeltaG(CT), which varies with sensitizer triplet energy, oxidation potential, and solvent polarity. O(2)((1)Sigma(g)(+)), O(2)((1)Delta(g)), and O(2)((3)Sigma(g)(-)) are formed in the product ratio (1/6):(1/12):(3/4) in the CT deactivation channel. The balance between nCT and CT deactivation is described by the relative contribution p(CT) of CT induced deactivation calculated for a sensitizer of known triplet energy from its quenching rate constant. It is shown how the change of p(CT) influences the quenching rate constant and the efficiency of singlet oxygen formation in both series of sensitizers. p(CT) is sensitive to differences of solvent polarity and varies for the biphenyls and the naphthalenes as sigmoidal with DeltaG(CT). This quantitative model represents a realistic and general mechanism for the quenching of pipi triplet states by O

  16. Influence of internal standard charge state on the accuracy of mass measurements in orthogonal acceleration time-of-flight mass spectrometers.

    Science.gov (United States)

    Charles, Laurence

    2008-01-01

    Accuracy of mass measurements performed in orthogonal acceleration time-of-flight (oa-TOF) mass spectrometers highly depends on the quality of the signal and the internal calibration. The use of two reference compounds which bracket the targeted unknown, give rise to ions with sufficient signal-to-noise ratio while avoiding detector saturation and produce signals of similar intensity as compared to the target is a common requirement which allow a 5 ppm accuracy on a routine basis. Ion charge state is demonstrated here to be an additional and particularly critical parameter. Using internal references of lower charge state than the target ion systematically yielded overestimated data. Errors measured for quadruply charged molecules were in the range 16-18 ppm when mass calibrants were singly charged ions while accuracy was below 5 ppm when references and target ions were in the same charge state. Magnitude of errors was found to increase with the difference in charge state. This phenomenon arises from the orthogonal acceleration of ions in the TOF analyzer, an interface implemented in all TOF mass spectrometers to accommodate continuous beam ionization sources.

  17. Analysis of the charge collection process in solid state X-ray detectors

    Energy Technology Data Exchange (ETDEWEB)

    Kimmel, Nils

    2009-02-12

    Physics with X-rays spans from observing large scales in X-ray astronomy down to small scales in material structure analyses with synchrotron radiation. Both fields of research require imaging detectors featuring spectroscopic resolution for X-rays in an energy range of 0.1 keV to 20.0 keV. Originally driven by the need for an imaging spectrometer on ESA's X-ray astronomy satellite mission XMM-Newton, X-ray pnCCDs were developed at the semiconductor laboratory of the Max-Planck-Institute. The pnCCD is a pixel array detector made of silicon. It is sensitive over a wide band from near infrared- over optical- and UV-radiation up to X-rays. This thesis describes the dynamics of signal electrons from the moment after their generation until their collection in the potential minima of the pixel structure. Experimentally, a pinhole array was used to scan the pnCCD surface with high spatial resolution. Numerical simulations were used as a tool for the modeling of the electrical conditions inside the pnCCD. The results predicted by the simulations were compared with the measurements. Both, experiment and simulation, helped to establish a model for the signal charge dynamics in the energy range from 0.7 keV to 5.5 keV. More generally, the presented work has enhanced the understanding of the detector system on the basis of a physical model. The developed experimental and theoretical methods can be applied to any type of array detector which is based on the full depletion of a semiconductor substrate material. (orig.)

  18. Structural origin of gap states in semicrystalline polymers and the implications for charge transport

    KAUST Repository

    Rivnay, Jonathan

    2011-03-16

    We quantify the degree of paracrystalline disorder in the π-π stacking direction of crystallites of a high performing semicrystalline semiconducting polymer with advanced x-ray line-shape analysis. Using density functional theory calculations to provide input to a simple tight-binding model, we obtain the density of states of a system of π-π stacked polymer chains with increasing amounts of paracrystalline disorder. We find that, for an aligned film of PBTTT, the paracrystalline disorder is 7.3%. This type of disorder induces a tail of trap states with a breadth of ∼100 meV as determined through calculation. This finding agrees with previous device modeling and provides physical justification for the mobility edge model. © 2011 American Physical Society.

  19. Evidence for the Improved Defect-Pool Model for Gap States in Amorphous Silicon from Charge DLTS Experiments on Undoped a-Si:H

    Science.gov (United States)

    Nádazdy, V.; Durný, R.; Pinc̆ik, E.

    1997-02-01

    Results of the first charge deep level transient spectroscopy (DLTS) measurements on undoped a-Si:H are presented. The ability of the charge DLTS technique to resolve the gap-state distribution and to monitor directly its evolution after preequilibrium preparation by bias annealing is demonstrated. Three groups of gap states with mean energies of 0.63, 0.82, and 1.25 eV are observed. The condition for their creation as well as the energy values are in a good agreement with the D+, D0, and D- states of the improved defect-pool model.

  20. QM/MM study of the role of the solvent in the formation of the charge separated excited state in 9,9'-bianthryl

    NARCIS (Netherlands)

    Grozema, FC; Swart, M; Zijlstra, RWJ; Piet, JJ; Siebbeles, LDA; van Duijnen, PT

    2005-01-01

    In this paper the role of the solvent in the formation of the charge-separated excited state of 9,9'-bianthryl (BA) is examined by means of mixed molecular mechanical/quantum mechanical (QM/MM) calculations. It is shown that in weakly polar solvents a relaxed excited state is formed with an interuni

  1. Experimental study on the influence of temperature and state-of-charge on the thermophysical properties of an LFP pouch cell

    Science.gov (United States)

    Bazinski, Stephen J.; Wang, Xia

    2015-10-01

    Past research has shown that the specific heat capacity and thermal conductivity may be influenced by the battery's temperature and/or its state-of-charge (SOC). However, there has not been any clear relationship uncovered between these test parameters and the thermophysical properties of the battery. Therefore the objective of this research is to measure the thermophysical properties of a Lithium Iron Phosphate (LFP) pouch cell at different surface temperatures and SOC levels. An isothermal calorimeter is used to measure the specific heat capacity at various temperature points and SOC levels. This same instrument is then reconfigured to perform as a heat flow meter apparatus and yield cross-plane thermal conductivity measurements. A commercially available 14 A h pouch cell was used as the test specimen. On average, the specific heat capacity of the cell increases slightly with temperature but remains independent of SOC. The behavior of the cross-plane thermal conductivity is opposite in nature. Its value increases with decreasing SOC but is largely unaffected by temperature. A lithium-ion battery with electrolyte has nearly twice the thermal conductivity of the dry cell version without electrolyte.

  2. Simultaneous Determination of Averaged cross Sections for the Formation of Ground and Metastable State when Using Reactor Neutrons as Bombarding Particles the straight line method

    CERN Document Server

    Ribeiro Guevara, S

    2001-01-01

    determine, by this method, the production cross section for the ground state even in those cases where the assumption that one of the states has decayed completely, cannot be warranted.In cases where the ground state half life is much longer than that of the isomeric state, when employing direct methods, it is only possible to determine the sum cross section for the production of both states; therefore, if the metastable production cross section is known, then it is possible to determine, by subtraction, the ground state production cross section.When using the straight-line method, both cross sections can be determined separately.The main limitation of the method is the need to measure the g emission associated to the ground state decay at different time intervals.A parametric analysis of the equations associated to the method shows that under certain conditions it is not possible to apply the method, while under other conditions the method delivers optimum results.The method was applied to the study of four ...

  3. Optimising charged Higgs boson searches at the Large Hadron Collider across b b bar W± final states

    Science.gov (United States)

    Moretti, Stefano; Santos, Rui; Sharma, Pankaj

    2016-09-01

    In the light of the most recent data from Higgs boson searches and analyses, we re-assess the scope of the Large Hadron Collider in accessing heavy charged Higgs boson signals in b b bar W± final states, wherein the contributing channels can be H+ → t b bar , hW±, HW± and AW±. We consider a 2-Higgs Doublet Model Type-II and we assume as production mode bg → tH- +c.c., the dominant one over the range MH± ≥ 480 GeV, as dictated by b → sγ constraints. Prospects of detection are found to be significant for various Run 2 energy and luminosity options.

  4. Charge-transfer state excitation as the main mechanism of the photodarkening process in ytterbium-doped aluminosilicate fibres

    Energy Technology Data Exchange (ETDEWEB)

    Bobkov, K K; Rybaltovsky, A A; Vel' miskin, V V; Likhachev, M E; Bubnov, M M; Dianov, E M [Fiber Optics Research Center, Russian Academy of Sciences, Moscow (Russian Federation); Umnikov, A A; Gur' yanov, A N; Vechkanov, N N [G.G.Devyatykh Institute of Chemistry of High-Purity Substances, Russian Academy of Sciences, Nizhnii Novgorod (Russian Federation); Shestakova, I A [Open Joint-Stock Company M.F. Stel' makh Polyus Research Institute, Moscow (Russian Federation)

    2014-12-31

    We have studied photodarkening in ytterbium-doped fibre preforms with an aluminosilicate glass core. Analysis of their absorption and luminescence spectra indicates the formation of stable Yb{sup 2+} ions in the glass network under IR laser pumping at a wavelength λ = 915 nm and under UV irradiation with an excimer laser (λ = 193 nm). We have performed comparative studies of the luminescence spectra of the preforms and crystals under excitation at a wavelength of 193 nm. The mechanism behind the formation of Yb{sup 2+} ions and aluminium – oxygen hole centres (Al-OHCs), common to ytterbium-doped YAG crystals and aluminosilicate glass, has been identified: photoinduced Yb{sup 3+} charge-transfer state excitation. (optical fibres)

  5. Search for heavy top quark partners with charge 5e/3 in the single lepton final state

    Science.gov (United States)

    Sagir, Sinan; CMS Collaboration

    2016-03-01

    A search is presented for a very heavy fermionic partner of the top quark with charge 5e/3 (X5 / 3), which is expected to decay into a top quark and a W boson. Events consistent with pair production of X5 / 3, where one of the four W bosons from the decays of X5 / 3 and top quarks decays leptonically, and all the other W bosons decay hadronically, are analyzed. The results from this semi-leptonic final state are then combined with same-sign dileptons signature to enhance the sensitivity. No excess of data above SM expectations is observed and 95 % CL upper limits on the X5 / 3 production cross section are set using the data corresponding to an integrated luminosity of 2.2 fb-1 collected by the CMS detector at center-of-mass energy of 13 TeV.

  6. Excited state intramolecular proton transfer and charge transfer dynamics of a 2-(2'-hydroxyphenyl)benzoxazole derivative in solution.

    Science.gov (United States)

    Kim, Chul Hoon; Park, Jaehun; Seo, Jangwon; Park, Soo Young; Joo, Taiha

    2010-05-13

    Excited state intramolecular proton transfer (ESIPT) and subsequent intramolecular charge transfer (ICT) dynamics of a 2-(2'-hydroxyphenyl)benzoxazole derivative conjugated with an electron withdrawing group (HBOCE) in solutions and a polymer film has been investigated by femtosecond time-resolved fluorescence (TRF) and TRF spectra measurements without the conventional spectral reconstruction method. TRF with high enough resolution (benzoxazole groups is invoked to account for the dispersive ESIPT dynamics in liquids. From the TRF spectra of both the enol and keto isomers, we have identified the ICT reaction of the keto isomer occurring subsequent to the ESIPT. The ICT proceeds also by two time constants of near instantaneous and 2.7 ps. Since the ICT dynamics of HBOCE is rather close to the polar solvation dynamics, we argue that the ICT is barrierless and determined mostly by the solvent fluctuation.

  7. Optimising charged Higgs boson searches at the Large Hadron Collider across bb¯W± final states

    Directory of Open Access Journals (Sweden)

    Stefano Moretti

    2016-09-01

    Full Text Available In the light of the most recent data from Higgs boson searches and analyses, we re-assess the scope of the Large Hadron Collider in accessing heavy charged Higgs boson signals in bb¯W± final states, wherein the contributing channels can be H+→tb¯, hW±, HW± and AW±. We consider a 2-Higgs Doublet Model Type-II and we assume as production mode bg→tH−+c.c., the dominant one over the range MH±≥480 GeV, as dictated by b→sγ constraints. Prospects of detection are found to be significant for various Run 2 energy and luminosity options.

  8. Charged Higgs Boson Searches at the LHC via Multiple $b\\bar bW^\\pm$ Final States

    CERN Document Server

    Moretti, Stefano; Sharma, Pankaj

    2016-01-01

    We review the prospects of the Large Hadron Collider in accessing heavy charged Higgs boson signals in $b\\bar b W^\\pm$ final states, wherein the contributing channels can be $H^+\\to t\\bar b$, $hW^\\pm$, $HW^\\pm$ and $AW^\\pm$. In particular, we devise a selection strategy which optimizes their global yield. We consider a 2-Higgs Doublet Model Type-II and we assume as production mode $bg\\to tH^-$ + c.c., the dominant one over the range $M_{H^\\pm}\\ge 480$ GeV, as dictated by $b\\to s\\gamma$ constraints. Possibilities of detection are found to be significant for various Run 2 energies and luminosities.

  9. Curl flux, coherence, and population landscape of molecular systems: Nonequilibrium quantum steady state, energy (charge) transport, and thermodynamics

    CERN Document Server

    Zhang, Zhedong

    2015-01-01

    We established a theoretical framework in terms of the curl flux, population landscape, and coherence for non-equilibrium quantum systems at steady state, through exploring the energy and charge transport in molecular processes. The curl quantum flux plays the key role in determining transport properties and the system reaches equilibrium when flux vanishes. The novel curl quantum flux reflects the degree of non-equilibriumness and the time-irreversibility. We found an analytical expression for the quantum flux and its relationship to the environmental pumping (non-equilibriumness quantified by the voltage away from the equilibrium) and the quantum tunneling. Furthermore, we investigated another quantum signature, the coherence, quantitatively measured by the non-zero off diagonal element of the density matrix. Besides the environment-assistance which can give dramatic enhancement of coherence and quantum flux with high voltage at a fixed tunneling strength, the quantum flux is promoted by the coherence in th...

  10. State-of-Charge Balance Using Adaptive Droop Control for Distributed Energy Storage Systems in DC MicroGrid Applications

    DEFF Research Database (Denmark)

    Lu, Xiaonan; Sun, Kai; Guerrero, Josep M.

    2014-01-01

    This paper presents the coordinated control of distributed energy storage systems (DESSs) in DC micro-grids. In order to balance the state-of-charge (SoC) of each energy storage unit (ESU), an SoC-based adaptive droop control method is proposed. In this decentralized control method, the droop...... coefficient is inversely proportional to the nth order of SoC. By using SoC-based droop method, the ESUs with higher SoC deliver more power, while the ones with lower SoC deliver less power. Therefore, the energy stored in the ESU with higher SoC decreases faster than that with lower SoC. The SoC difference...... and the system stability is thereby analyzed by using this model. Simulation and experimental results from a 2×2.2 kW parallel converter system are presented in order to validate the proposed approach....

  11. Optimising Charged Higgs Boson Searches at the Large Hadron Collider Across $b\\bar b W^\\pm$ Final States

    CERN Document Server

    Moretti, Stefano; Sharma, Pankaj

    2016-01-01

    In the light of the most recent data from Higgs boson searches and analyses, we re-assess the scope of the Large Hadron Collider in accessing heavy charged Higgs boson signals in $b\\bar b W^\\pm$ final states, wherein the contributing channels can be $H^+\\to t\\bar b$, $hW^\\pm, HW^\\pm$ and $AW^\\pm$. We consider a 2-Higgs Doublet Model Type-II and we assume as production mode $bg\\to tH^-$ + c.c., the dominant one over the range $M_{H^\\pm}\\ge 480$ GeV, as dictated by $b\\to s\\gamma$ constraints. Prospects of detection are found to be significant for various Run 2 energy and luminosity options.

  12. Observation of a new charged charmonium-like state in B -> J/psi K pi decays

    CERN Document Server

    Chilikin, K; Adachi, I; Aihara, H; Said, S Al; Arinstein, K; Asner, D M; Aulchenko, V; Aushev, T; Ayad, R; Aziz, T; Bakich, A M; Bansal, V; Bondar, A; Bonvicini, G; Bozek, A; Bračko, M; Browder, T E; Červenkov, D; Chekelian, V; Chen, A; Cheon, B G; Chistov, R; Cho, K; Chobanova, V; Choi, S -K; Choi, Y; Cinabro, D; Danilov, M; Doležal, Z; Drásal, Z; Drutskoy, A; Dutta, K; Eidelman, S; Epifanov, D; Farhat, H; Fast, J E; Ferber, T; Frost, O; Gaur, V; Gabyshev, N; Ganguly, S; Garmash, A; Gillard, R; Goh, Y M; Golob, B; Grzymkowska, O; Haba, J; Hara, T; Hayasaka, K; Hayashii, H; He, X H; Hou, W -S; Huschle, M; Hyun, H J; Ishikawa, A; Itoh, R; Iwasaki, Y; Jaegle, I; Joo, K K; Julius, T; Kawasaki, T; Kiesling, C; Kim, D Y; Kim, H J; Kim, J H; Kim, M J; Kim, Y J; Kinoshita, K; Ko, B R; Korpar, S; Križan, P; Krokovny, P; Kuhr, T; Kuzmin, A; Kwon, Y -J; Lange, J S; Li, Y; Gioi, L Li; Libby, J; Liu, Y; Liventsev, D; Lukin, P; Miyabayashi, K; Miyata, H; Mohanty, G B; Moll, A; Mori, T; Mussa, R; Nakano, E; Nakao, M; Nanut, T; Natkaniec, Z; Nedelkovska, E; Nisar, N K; Nishida, S; Ogawa, S; Okuno, S; Pakhlov, P; Pakhlova, G; Park, C W; Park, H; Pedlar, T K; Petrič, M; Piilonen, L E; Ribežl, E; Ritter, M; Rostomyan, A; Sakai, Y; Sandilya, S; Santelj, L; Sanuki, T; Sato, Y; Savinov, V; Schneider, O; Schnell, G; Schwanda, C; Seon, O; Shebalin, V; Shen, C P; Shibata, T -A; Shiu, J -G; Shwartz, B; Sibidanov, A; Simon, F; Sohn, Y -S; Sokolov, A; Solovieva, E; Starič, M; Steder, M; Sumisawa, K; Sumiyoshi, T; Tamponi, U; Tanida, K; Tatishvili, G; Teramoto, Y; Thorne, F; Trabelsi, K; Uchida, M; Uehara, S; Uglov, T; Unno, Y; Uno, S; Urquijo, P; Van Hulse, C; Vanhoefer, P; Varner, G; Vinokurova, A; Wagner, M N; Wang, C H; Wang, M -Z; Wang, P; Wang, X L; Watanabe, Y; Wehle, S; Williams, K M; Won, E; Yamaoka, J; Yashchenko, S; Zhang, Z P; Zhilich, V; Zhulanov, V; Zupanc, A

    2014-01-01

    We present the results of an amplitude analysis of B0 -> J/psi K+ pi- decays. A new charged charmonium-like state Zc(4200)+ decaying to J/psi pi+ is observed with a significance of 6.2 sigma. The mass and width of the Zc(4200)+ are 4196 +31-29 +17-13 MeV/c^2 and 370 +70-70 +70-132 MeV, respectively; the preferred assignment of the quantum numbers is J^P = 1^+. In addition, we find evidence for Zc(4430)+ -> J/psi pi+. The analysis is based on a 711 fb^-1 data sample collected by the Belle detector at the asymmetric-energy e+ e- collider KEKB.

  13. Chemical physics behind formation of efficient charge-separated state for complexation between PC70BM and designed diporphyrin in solution.

    Science.gov (United States)

    Ray, Anamika; Banerjee, Shrabanti; Ghosh, Shalini; Bauri, Ajoy K; Bhattacharya, Sumanta

    2016-01-05

    The present work reports supramolecular interaction of [6,6]-phenyl C71 butyric acid methyl ester (PC70BM) with two designed diporphyrin molecules having dithiophene (1) and carbazole (2) spacer in solvent having varying polarity. Studies on complex formation reveal relatively higher binding constant for PC70BM/2 complex in all the solvent studied. Solvent dependence of charge separation and charge recombination processes in PC70BM/diporphyrin non-covalent complexes has been well established in present work. Donor-acceptor geometry and stabilization of the singlet excited state of the diporphyrin during charge recombination are considered to be the possible reasons for this behavior.

  14. Cycle of charge carrier states with formation and extinction of a floating gate in an ambipolar tetracyanoquaterthienoquinoid-based field-effect transistor

    Science.gov (United States)

    Itoh, Takuro; Toyota, Taro; Higuchi, Hiroyuki; Matsushita, Michio M.; Suzuki, Kentaro; Sugawara, Tadashi

    2017-03-01

    A tetracyanoquaterthienoquinoid (TCT4Q)-based field effect transistor is characterized by the ambipolar transfer characteristics and the facile shift of the threshold voltage induced by the bias stress. The trapping and detrapping kinetics of charge carriers was investigated in detail by the temperature dependence of the decay of source-drain current (ISD). We found a repeatable formation of a molecular floating gate is derived from a 'charge carrier-and-gate' cycle comprising four stages, trapping of mobile carriers, formation of a floating gate, induction of oppositely charged mobile carriers, and recombination between mobile and trapped carriers to restore the initial state.

  15. Solid-state charge-based device for control of catalytic carbon monoxide oxidation on platinum nanofilms using external bias and light.

    Science.gov (United States)

    Baker, L Robert; Hervier, Antoine; Kennedy, Griffin; Somorjai, Gabor A

    2012-05-09

    Using a Pt/Si catalytic nanodiode, we externally control the rate of CO oxidation on a Pt nanofilm. The catalytic reaction can be turned on and off by alternating between bias states of the device. Additionally, the reaction rate is sensitive to photocurrent induced by visible light. The effects of both bias and light show that negative charge on the Pt increases catalytic activity, while positive charge on the Pt decreases catalytic activity for CO oxidation.

  16. First-principles DFT+U investigation of charged states of defects and fission gas atoms in CeO2

    Science.gov (United States)

    Shi, Lei; Vathonne, Emerson; Oison, Vincent; Freyss, Michel; Hayn, Roland

    2016-09-01

    Cerium dioxide (CeO2) is considered as a model material for the experimental study of radiation damage in the standard nuclear fuel uranium dioxide (UO2). In this paper, we present a first-principles study in the framework of the DFT+U approach to investigate the charged point defects and the incorporation of the fission gases Xe and Kr in CeO2 and compare it with published data in UO2. All intrinsic charge states are considered for point defects in contrast to previous published studies. Our calculations prove that CeO2 shows similar behavior to UO2 in the formation of point defects with the same charge states under stoichiometric and nonstoichiometric conditions. The charge states of vacancies have an important effect on the incorporation of fission gas atoms in CeO2. The bound Schottky defect with the two oxygen vacancies along the (100) direction is found to be energetically preferable to trap Xe and Kr atoms both in CeO2 and UO2. Xe and Kr atoms in the cation vacancy sites under nonformal charge states (different from 4 - ) in CeO2, unlike in UO2, lose electrons to their neighboring atoms, which is traced back to the absence of the +5 valence state for Ce in contrast to its existence for U.

  17. Multiagent Based Distributed Control for State-of-Charge Balance of Distributed Energy Storage in DC microgrids

    DEFF Research Database (Denmark)

    Li, Chendan; Dragicevic, Tomislav; Garcia Plaza, Manuel

    2014-01-01

    information for scheduling voltage autonomously. State-space analysis on a single energy storage unit and simulation verification shows that the proposed method has two advantages. Firstly, modifying the reference voltage given has less impact on system stability compared to gain scheduling. Secondly......In this paper, a distributed multiagent based algorithm is proposed to achieve SoC balance for DES in the DC microgrid by means of voltage scheduling. Reference voltage given is adjusted instead of droop gain. Dynamic average consensus algorithm is explored in each agent to get the required......, by adopting multiagent methodology, the proposed distributed control has less communication dependence and more reliable during communication topology changes....

  18. Kalman filter for onboard state of charge estimation and peak power capability analysis of lithium-ion batteries

    Science.gov (United States)

    Dong, Guangzhong; Wei, Jingwen; Chen, Zonghai

    2016-10-01

    To evaluate the continuous and instantaneous load capability of a battery, this paper describes a joint estimator for state-of-charge (SOC) and state-of-function (SOF) of lithium-ion batteries (LIB) based on Kalman filter (KF). The SOC is a widely used index for remain useful capacity left in a battery. The SOF represents the peak power capability of the battery. It can be determined by real-time SOC estimation and terminal voltage prediction, which can be derived from impedance parameters. However, the open-circuit-voltage (OCV) of LiFePO4 is highly nonlinear with SOC, which leads to the difficulties in SOC estimation. To solve these problems, this paper proposed an onboard SOC estimation method. Firstly, a simplified linearized equivalent-circuit-model is developed to simulate the dynamic characteristics of a battery, where the OCV is regarded as a linearized function of SOC. Then, the system states are estimated based on the KF. Besides, the factors that influence peak power capability are analyzed according to statistical data. Finally, the performance of the proposed methodology is demonstrated by experiments conducted on a LiFePO4 LIBs under different operating currents and temperatures. Experimental results indicate that the proposed approach is suitable for battery onboard SOC and SOF estimation.

  19. Correlation Effects on Charge Order and Zero-Gap State in the Organic Conductor α-(BEDT-TTF)2I3

    Science.gov (United States)

    Tanaka, Yasuhiro; Ogata, Masao

    2016-10-01

    The effects of electron correlation in the quasi-two-dimensional organic conductor α-(BEDT-TTF)2I3 are investigated theoretically by using an extended Hubbard model with on-site and nearest-neighbor Coulomb interactions. A variational Monte Carlo method is applied to study its ground-state properties. We show that there appears a nonmagnetic horizontal-stripe charge order in which nearest-neighbor correlation functions indicate a tendency toward a spin-singlet formation on the bonds with large transfer integrals along the charge-rich stripe. Under uniaxial pressure, a first-order transition from the nonmagnetic charge order to a zero-gap state occurs. Our results on a spin correlation length in the charge-ordered state suggest that a spin gap is almost unaffected by the uniaxial pressure in spite of the suppression of the charge disproportionation. The relevance of these contrasting behaviors in spin and charge degrees of freedom to recent experimental observations is discussed.

  20. The interplay between neutral exciton and charge transfer states in single-strand polyadenine: a quantum dynamical investigation.

    Science.gov (United States)

    Santoro, Fabrizio; Improta, Roberto; Avila, Francisco; Segado, Mireia; Lami, Alessandro

    2013-08-01

    We investigate the quantum dynamics of the internal conversion of excitons into charge transfer (CT) states in single-strand oligomers of adenine (An) of different length (n up to 10 units) excited by a short-time laser pulse. Calculations are based on a model vibronic Hamiltonian whose parameters are fitted to accurate time-dependent density functional theory (TD-DFT) calculations, which was shown to reproduce the experimental absorption spectrum with the increase of n. As a first step, we analyze the impact of the vibrational motion on the population transfer in the dimer, highlighting that it causes loss of coherence and slows down the dynamics. For longer oligomers we resort to a simplified approach considering only electronic states and solving the equation of motion for the density matrix driven by inter-state couplings. In this way we are able also to include phenomenologically dephasing terms that mainly simulate intra-molecular effects, and lifetimes of local excitations mimicking monomer-like decay processes. Relaxation effects, whose role is to drive the system towards the thermal equilibrium allowing population exchange among states, are deliberately not considered here, since the focus is on very short-time dynamics. We consider both the cases of an instantaneous and of a finite-time (full width at half maximum 50 fs) laser pulse. According to our calculations, the photoexcited oligomers exhibit a complex dynamics and CT population rises on a 20-30 fs timescale and it persists even on the picosecond timescale. CT population increases with the length of the oligomer and it is only weakly dependent on the relative stability of CT and exciton states (within a range of 1500 cm(-1)). The chain length already modifies the photoexcited dynamics for A2 and A4 systems, but this effect saturates for small n so that the A10 oligomer is also representative of longer chains.