Science.gov

Sample records for equilibrium charge states

  1. Equilibrium charge states of uranium at relativistic energies

    SciTech Connect

    Crawford, H.; Gould, H.; Greiner, D.; Lindstrom, P.; Symons, J.

    1983-06-01

    We have measured the charge fractions of uranium ions at energies of 962 MeV/amu and 430 MeV/amu passing through various thickness targets of mylar (Z approx. = 6.6), Cu (Z = 29) and Ta (Z = 73). From these we determine the equilibrium charge state distributions.

  2. Equilibrium and non-equilibrium charge-state distributions of 2 MeV/u sulfur ions passing through carbon foils

    NASA Astrophysics Data System (ADS)

    Imai, M.; Sataka, M.; Kawatsura, K.; Takahiro, K.; Komaki, K.; Shibata, H.; Sugai, H.; Nishio, K.

    2009-08-01

    Both equilibrium and non-equilibrium charge-state distributions for 2.0 MeV/u sulfur ions after passing through carbon foils were studied experimentally. For the equilibrium charge-state distribution, incident ions of S 7+, S 12+, S 14+ and S 16+ were injected into carbon foils 54, 98, 150 and 200 μg/cm 2 in thickness, whereas for the non-equilibrium distributions, new measurements for S 15+ and S 16+ incidences were made through carbon foils of 0.9-10 μg/cm 2 to supplement our previous experiments regarding S 6+-S 14+ incidences [M. Imai, M. Sataka, K. Kawatsura, K. Takahiro, K. Komaki, H. Shibata, H. Sugai, K. Nishio, Nucl. Instr. and Meth. B 230 (2005) 63; M. Imai, M. Sataka, K. Kawatsura, K. Takahiro, K. Komaki, H. Shibata, H. Sugai, K. Nishio, Nucl. Instr. and Meth. B 256 (2007) 11]. Mean charge states for S 6+-S 14+ incidences as functions of the penetration thickness merged at 6.9 μg/cm 2 and changed together until reaching equilibrium at around 100 μg/cm 2, while those for S 15+ and S 16+ incidences took different paths to equilibrium, which was also the case for distribution widths for S 6+-S 14+, S 15+ and S 16+ incidences. An equilibrium mean charge state of 12.68 and distribution width of 1.11 were attained with equilibrium charge distributions between 6+ and 16+.

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

    NASA Technical Reports Server (NTRS)

    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.

  4. INFLUENCE OF ELECTRON-IMPACT MULTIPLE IONIZATION ON EQUILIBRIUM AND DYNAMIC CHARGE STATE DISTRIBUTIONS: A CASE STUDY USING IRON

    SciTech Connect

    Hahn, M.; Savin, D. W.

    2015-02-10

    We describe the influence of electron-impact multiple ionization (EIMI) on the ionization balance of collisionally ionized plasmas. Previous ionization balance calculations have largely neglected EIMI. Here, EIMI cross-section data are incorporated into calculations of both equilibrium and non-equilibrium charge-state distributions (CSDs). For equilibrium CSDs, we find that EIMI has only a small effect and can usually be ignored. However, for non-equilibrium plasmas the influence of EIMI can be important. In particular, we find that for plasmas in which the temperature oscillates there are significant differences in the CSD when including versus neglecting EIMI. These results have implications for modeling and spectroscopy of impulsively heated plasmas, such as nanoflare heating of the solar corona.

  5. Dynamics of Charged Particles in an Adiabatic Thermal Beam Equilibrium

    NASA Astrophysics Data System (ADS)

    Chen, Chiping; Wei, Haofei

    2010-11-01

    Charged-particle motion is studied in the self-electric and self-magnetic fields of a well-matched, intense charged-particle beam and an applied periodic solenoidal magnetic focusing field. The beam is assumed to be in a state of adiabatic thermal equilibrium. The phase space is analyzed and compared with that of the well-known Kapchinskij-Vladimirskij (KV)-type beam equilibrium. It is found that the widths of nonlinear resonances in the adiabatic thermal beam equilibrium are narrower than those in the KV-type beam equilibrium. Numerical evidence is presented, indicating almost complete elimination of chaotic particle motion in the adiabatic thermal beam equilibrium.

  6. A search for equilibrium states

    NASA Technical Reports Server (NTRS)

    Zeleznik, F. J.

    1982-01-01

    An efficient search algorithm is described for the location of equilibrium states in a search set of states which differ from one another only by the choice of pure phases. The algorithm has three important characteristics: (1) it ignores states which have little prospect for being an improved approximation to the true equilibrium state; (2) it avoids states which lead to singular iteration equations; (3) it furnishes a search history which can provide clues to alternative search paths.

  7. Equilibrium states for hyperbolic potentials

    NASA Astrophysics Data System (ADS)

    Ramos, Vanessa; Viana, Marcelo

    2017-02-01

    We prove the existence of finitely many ergodic equilibrium states for local homeomorphisms and hyperbolic potentials. We also deal with partially hyperbolic skew-products over non-uniformly expanding maps with uniform contraction on the fibre. For these systems we prove the existence and finiteness of the equilibrium states associated with a class of Hölder continuous potentials.

  8. Neutral and charged matter in equilibrium with black holes

    SciTech Connect

    Bronnikov, K. A.; Zaslavskii, O. B.

    2011-10-15

    We study the conditions of a possible static equilibrium between spherically symmetric, electrically charged or neutral black holes and ambient matter. The following kinds of matter are considered: (1) neutral and charged matter with a linear equation of state p{sub r}=w{rho} (for neutral matter the results of our previous work are reproduced), (2) neutral and charged matter with p{sub r}{approx}{rho}{sup m}, m>1, and (3) the possible presence of a ''vacuum fluid'' (the cosmological constant or, more generally, anything that satisfies the equality T{sub 0}{sup 0}=T{sub 1}{sup 1} at least at the horizon). We find a number of new cases of such an equilibrium, including those generalizing the well-known Majumdar-Papapetrou conditions for charged dust. It turns out, in particular, that ultraextremal black holes cannot be in equilibrium with any matter in the absence of a vacuum fluid; meanwhile, matter with w>0, if it is properly charged, can surround an extremal charged black hole.

  9. The Moving Lines on Electron Spectra as Charge Reflexes on Non-equilibrium States of Nanostructured Surfaces

    NASA Astrophysics Data System (ADS)

    Mishchuk, Oleg A.

    2016-04-01

    The experimental results present the phenomenon of moving lines on electron spectra which are linked spatially and in time with the localization and durability of the processes of new surface producing in folds and grain boundaries. This effect was also realized for a thin-layer composite "organic on metal films on dielectric substrate" in modeling non-equilibrium conditions which are created by the intensive electron beam pulse impact. It was found that the nature of the inceptive adsorption layer, in addition to the metal film, determines the initial positions of moving lines on the spectra. The main accents in these investigations were in observations of appearance of the moving lines, dynamics of their displacements on the spectra, final stages when these lines vanished, and finding the general regularities between the spontaneous and induced events.

  10. The Moving Lines on Electron Spectra as Charge Reflexes on Non-equilibrium States of Nanostructured Surfaces.

    PubMed

    Mishchuk, Oleg A

    2016-12-01

    The experimental results present the phenomenon of moving lines on electron spectra which are linked spatially and in time with the localization and durability of the processes of new surface producing in folds and grain boundaries. This effect was also realized for a thin-layer composite "organic on metal films on dielectric substrate" in modeling non-equilibrium conditions which are created by the intensive electron beam pulse impact. It was found that the nature of the inceptive adsorption layer, in addition to the metal film, determines the initial positions of moving lines on the spectra. The main accents in these investigations were in observations of appearance of the moving lines, dynamics of their displacements on the spectra, final stages when these lines vanished, and finding the general regularities between the spontaneous and induced events.

  11. Grinding kinetics and equilibrium states

    NASA Technical Reports Server (NTRS)

    Opoczky, L.; Farnady, F.

    1984-01-01

    The temporary and permanent equilibrium occurring during the initial stage of cement grinding does not indicate the end of comminution, but rather an increased energy consumption during grinding. The constant dynamic equilibrium occurs after a long grinding period indicating the end of comminution for a given particle size. Grinding equilibrium curves can be constructed to show the stages of comminution and agglomeration for certain particle sizes.

  12. Collision integrals for charged-charged interaction in two-temperature non-equilibrium plasma

    SciTech Connect

    Ghorui, S.; Das, A. K.

    2013-09-15

    Choice of an appropriate form of shielding distance in the estimation of collision integrals under screened coulomb potential for two-temperature non-equilibrium plasma is addressed. Simple expressions for collision integrals for charged-charged interactions are derived. It is shown that while some of the formalisms used earlier completely ignore the presence of ions, the others incorporating it may result in negative collision integrals for the interactions involving particles at higher charged states. The parametric regimes of concern and impact of different formalisms on the computed transport properties are investigated with specific reference to nitrogen plasma. A revised definition of the shielding distance is proposed, which incorporates both electrons and ions, avoids the problem of negative collision integrals in all practical regimes of interest and results in calculated property values in close agreement with experimentally observed results.

  13. Electrostatic interaction of two charged macroparticles in an equilibrium plasma

    NASA Astrophysics Data System (ADS)

    Filippov, A. V.; Pal', A. F.; Starostin, A. N.

    2015-11-01

    This article is a critical review of publications devoted to studying the electrostatic interaction of two charged macroparticles in an equilibrium plasma. It is shown from an analysis of the force of interaction based on the Maxwell stress tensor that two macroparticles with identical charges in the Poisson-Boltzmann model always repel each other both in isothermal and nonisothermal plasmas. At distances between macroparticles for which the Boltzmann exponents can be linearized, the interaction between macroparticles is completely described by the Debye-Hückel model. The correction to free energy due to the electrostatic interaction in the system of two macroparticles is determined by integrating the correction to the internal energy and by direct calculation of the correction for entropy. It is shown that the free energy coincides with the Yukawa potential. The coincidence of the interaction energy obtained by integrating the force of interaction with the free energy leads to the conclusion about the potential nature of the force of interaction between two macroparticles in an equilibrium plasma. The effect of the outer boundary on the electrostatic interaction force is analyzed; it is shown that the type of interaction depends on the choice of the boundary conditions at the outer boundary. It is also shown that the accumulation of space charge near the outer boundary can lead to the attraction of similarly charged particles at distances comparable with the radius of the outer boundary.

  14. Electrostatic interaction of two charged macroparticles in an equilibrium plasma

    SciTech Connect

    Filippov, A. V. Pal’, A. F.; Starostin, A. N.

    2015-11-15

    This article is a critical review of publications devoted to studying the electrostatic interaction of two charged macroparticles in an equilibrium plasma. It is shown from an analysis of the force of interaction based on the Maxwell stress tensor that two macroparticles with identical charges in the Poisson–Boltzmann model always repel each other both in isothermal and nonisothermal plasmas. At distances between macroparticles for which the Boltzmann exponents can be linearized, the interaction between macroparticles is completely described by the Debye–Hückel model. The correction to free energy due to the electrostatic interaction in the system of two macroparticles is determined by integrating the correction to the internal energy and by direct calculation of the correction for entropy. It is shown that the free energy coincides with the Yukawa potential. The coincidence of the interaction energy obtained by integrating the force of interaction with the free energy leads to the conclusion about the potential nature of the force of interaction between two macroparticles in an equilibrium plasma. The effect of the outer boundary on the electrostatic interaction force is analyzed; it is shown that the type of interaction depends on the choice of the boundary conditions at the outer boundary. It is also shown that the accumulation of space charge near the outer boundary can lead to the attraction of similarly charged particles at distances comparable with the radius of the outer boundary.

  15. Radiative-dynamical equilibrium states for Jupiter

    NASA Technical Reports Server (NTRS)

    Trafton, L. M.; Stone, P. H.

    1974-01-01

    In order to obtain accurate estimates of the radiative heating that drives motions in Jupiter's atmosphere, previous radiative equilibrium calculations are improved by including the NH3 opacities and updated results for the pressure-induced opacities. These additions increase the radiative lapse rate near the top of the statically unstable region and lead to a fairly constant radiative lapse rate below the tropopause. The radiative-convective equilibrium temperature structure consistent with these changes is calculated, but it differs only slightly from earlier calculations. The radiative equilibrium calculations are used to calculate whether equilibrium states can occur on Jupiter which are similar to the baroclinic instability regimes on the earth and Mars. The results show that Jupiter's dynamical regime cannot be of this kind, except possibly at very high latitudes, and that its regime must be a basically less stable one than this kind.

  16. Out-of-equilibrium charge dynamics in a hybrid circuit quantum electrodynamics architecture

    NASA Astrophysics Data System (ADS)

    Viennot, J. J.; Delbecq, M. R.; Dartiailh, M. C.; Cottet, A.; Kontos, T.

    2014-04-01

    The recent development of hybrid circuit quantum electrodynamics allows one to study how cavity photons interact with a system driven out of equilibrium by fermionic reservoirs. We study here one of the simplest combination: a double quantum dot coupled to a single mode of the electromagnetic field. We are able to couple resonantly the charge levels of a carbon-nanotube-based double dot to cavity photons. We perform a microwave readout of the charge states of this system, which allows us to unveil features of the out-of-equilibrium charge dynamics, otherwise invisible in the DC current. We extract the relaxation rate, dephasing rate, and photon number of the hybrid system using a theory based on a master equation technique. These findings open the path for manipulating other degrees of freedom, e.g., the spin and/or the valley in nanotube-based double dots using microwave light.

  17. Low-charge-state linac

    SciTech Connect

    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.

  18. Bifurcated helical core equilibrium states in tokamaks

    NASA Astrophysics Data System (ADS)

    Cooper, W. A.; Chapman, I. T.; Schmitz, O.; Turnbull, A. D.; Tobias, B. J.; Lazarus, E. A.; Turco, F.; Lanctot, M. J.; Evans, T. E.; Graves, J. P.; Brunetti, D.; Pfefferlé, D.; Reimerdes, H.; Sauter, O.; Halpern, F. D.; Tran, T. M.; Coda, S.; Duval, B. P.; Labit, B.; Pochelon, A.; Turnyanskiy, M. R.; Lao, L.; Luce, T. C.; Buttery, R.; Ferron, J. R.; Hollmann, E. M.; Petty, C. C.; van Zeeland, M.; Fenstermacher, M. E.; Hanson, J. M.; Lütjens, H.

    2013-07-01

    Tokamaks with weak to moderate reversed central shear in which the minimum inverse rotational transform (safety factor) qmin is in the neighbourhood of unity can trigger bifurcated magnetohydrodynamic equilibrium states, one of which is similar to a saturated ideal internal kink mode. Peaked prescribed pressure profiles reproduce the ‘snake’ structures observed in many tokamaks which has led to a novel explanation of the snake as a bifurcated equilibrium state. Snake equilibrium structures are computed in simulations of the tokamak à configuration variable (TCV), DIII-D and mega amp spherical torus (MAST) tokamaks. The internal helical deformations only weakly modulate the plasma-vacuum interface which is more sensitive to ripple and resonant magnetic perturbations. On the other hand, the external perturbations do not alter the helical core deformation in a significant manner. The confinement of fast particles in MAST simulations deteriorate with the amplitude of the helical core distortion. These three-dimensional bifurcated solutions constitute a paradigm shift that motivates the applications of tools developed for stellarator research in tokamak physics investigations.

  19. State-of-charge coulometer

    NASA Technical Reports Server (NTRS)

    Rowlette, J. J. (Inventor)

    1985-01-01

    A coulometer for accurately measuring the state-of-charge of an open-cell battery utilizing an aqueous electrolyte, includes a current meter for measuring the battery/discharge current and a flow meter for measuring the rate at which the battery produces gas during charge and discharge. Coupled to the flow meter is gas analyzer which measures the oxygen fraction of the battery gas. The outputs of the current meter, flow meter, and gas analyzer are coupled to a programmed microcomputer which includes a CPU and program and data memories. The microcomputer calculates that fraction of charge and discharge current consumed in the generation of gas so that the actual state-of-charge can be determined. The state-of-charge is then shown on a visual display.

  20. Battery-Charge-State Model

    NASA Technical Reports Server (NTRS)

    Vivian, H. C.

    1985-01-01

    Charge-state model for lead/acid batteries proposed as part of effort to make equivalent of fuel gage for battery-powered vehicles. Models based on equations that approximate observable characteristics of battery electrochemistry. Uses linear equations, easier to simulate on computer, and gives smooth transitions between charge, discharge, and recuperation.

  1. Spectroscopy of equilibrium and nonequilibrium charge transfer in semiconductor quantum structures

    NASA Astrophysics Data System (ADS)

    Rössler, C.; Burkhard, S.; Krähenmann, T.; Röösli, M.; Märki, P.; Basset, J.; Ihn, T.; Ensslin, K.; Reichl, C.; Wegscheider, W.

    2014-08-01

    We investigate equilibrium and nonequilibrium charge-transfer processes by performing high-resolution transport spectroscopy. Using electrostatically defined quantum dots for energy-selective emission and detection, we achieved very high spectral resolution and a high degree of tunability of relevant experimental parameters. Most importantly, we observe that the spectral width of elastically transferred electrons can be substantially smaller than the linewidth of a thermally broadened Coulomb peak. This finding indicates that the charge-transfer process is fast compared to the electron-phonon interaction time. By drawing an analogy to double quantum dots, we argue that the spectral width of the elastic resonance is determined by the lifetime broadening hΓ of the emitter and detector states. Good agreement with the model is found also in an experiment in which the charge transfer is in the regime hΓ≫kBT. By performing spectroscopy below the Fermi energy, we furthermore observe elastic and inelastic transfer of holes.

  2. On the Equilibrium States of Interconnected Bubbles or Balloons.

    ERIC Educational Resources Information Center

    Weinhaus, F.; Barker, W.

    1978-01-01

    Describes the equilibrium states of a system composed of two interconnected, air-filled spherical membranes of different sizes. The equilibrium configurations are determined by the method of minimization of the availability of the system at constant temperature. (GA)

  3. Pulse Response Yields Battery Charge State

    NASA Technical Reports Server (NTRS)

    Chapman, C. P.; Barber, T. A.

    1984-01-01

    Response to input pulse characterizes state of charge of battery. Instrument electronically measures input and response of forcing-function pulse that periodically modulates charge or discharge current.

  4. High-charge-state ion sources

    SciTech Connect

    Clark, D.J.

    1983-06-01

    Sources of high charge state positive ions have uses in a variety of research fields. For heavy ion particle accelerators higher charge state particles give greater acceleration per gap and greater bending strength in a magnet. Thus higher energies can be obtained from circular accelerators of a given size, and linear accelerators can be designed with higher energy gain per length using higher charge state ions. In atomic physics the many atomic transitions in highly charged ions supplies a wealth of spectroscopy data. High charge state ion beams are also used for charge exchange and crossed beam experiments. High charge state ion sources are reviewed. (WHK)

  5. Relativistic hydrodynamics and non-equilibrium steady states

    NASA Astrophysics Data System (ADS)

    Spillane, Michael; Herzog, Christopher P.

    2016-10-01

    We review recent interest in the relativistic Riemann problem as a method for generating a non-equilibrium steady state. In the version of the problem under consideration, the initial conditions consist of a planar interface between two halves of a system held at different temperatures in a hydrodynamic regime. The new double shock solutions are in contrast with older solutions that involve one shock and one rarefaction wave. We use numerical simulations to show that the older solutions are preferred. Briefly we discuss the effects of a conserved charge. Finally, we discuss deforming the relativistic equations with a nonlinear term and how that deformation affects the temperature and velocity in the region connecting the asymptotic fluids.

  6. Charge-equilibrium and radiation of low-energy cosmic rays passing through interstellar medium

    NASA Technical Reports Server (NTRS)

    Rule, D. W.; Omidvar, K.

    1977-01-01

    The charge equilibrium and radiation of an oxygen and an iron beam in the MeV per nucleon energy range, representing a typical beam of low-energy cosmic rays passing through the interstellar medium, is considered. Electron loss of the beam has been taken into account by means of the First Born approximation allowing for the target atom to remain unexcited, or to be excited to all possible states. Electron capture cross sections have been calculated by means of the scaled Oppenheimer-Brinkman-Kramers approximation, taking into account all atomic shells of the target atoms. Radiation of the beam due to electron capture into the excited states of the ion, collisional excitation and collisional inner-shell ionization of the ions has been considered. Effective X-ray production cross sections and multiplicities for the most energetic X-ray lines emitted by the Fe and O beams have been calculated.

  7. Static analysis of possible emittance growth of intense charged particle beams with thermal equilibrium distribution

    SciTech Connect

    Kikuchi, Takashi; Horioka, Kazuhiko

    2009-05-15

    Possible emittance growths of intense, nonuniform beams during a transport in a focusing channel are derived as a function of nonlinear field energy and space charge tune depression factors. The nonlinear field energy of the beam with thermal equilibrium distribution is estimated by considering the particle distribution across the cross section of the beam. The results show that the possible emittance growth can be suppressed by keeping the beam particle in thermal equilibrium distribution during the beam transport.

  8. SCREENED COULOMB FORMULATION OF THE IONIZATION EQUILIBRIUM EQUATION OF STATE,

    DTIC Science & Technology

    The ionization equilibrium equation of state (IEEOS) is formulated relative to the numerical solutions of the Schrodinger equation with the complete...for hydrogen and iron, where pressures at high densities and temperature are compared with pressures from the equation of state based upon the Thomas...IEEOS represents a significant improvement over the TFD equation of state . (Author)

  9. Aircraft battery state of charge and charge control system

    NASA Astrophysics Data System (ADS)

    Viswanathan, S.; Charkey, A.

    1986-02-01

    This Interim Report describes work done in developing an aircraft battery state of charge and charge control system. The basis for this system developed by ERC is a nickel-oxygen (NiO2) Pilot cell (0.374 Ah). This pilot cell is cycled in tandem with a nickel-cadmium battery. The oxygen pressure of the pilot cell is utilized to determine and control the state of charge of the nickel-cadmium battery. The NiO2 pilot cell baseline performance was determined during this period. The effect of using different nickel electrodes (ERC, SAFT, MARATHON) was also performed.

  10. Role of electric charge in shaping equilibrium configurations of fluid tori encircling black holes

    SciTech Connect

    Kovar, Jiri; Slany, Petr; Stuchlik, Zdenek; Karas, Vladimir; Cremaschini, Claudio; Miller, John C.

    2011-10-15

    Astrophysical fluids may acquire nonzero electrical charge because of strong irradiation or charge separation in a magnetic field. In this case, electromagnetic and gravitational forces may act together and produce new equilibrium configurations, which are different from the uncharged ones. Following our previous studies of charged test particles and uncharged perfect fluid tori encircling compact objects, we introduce here a simple test model of a charged perfect fluid torus in strong gravitational and electromagnetic fields. In contrast to ideal magnetohydrodynamic models, we consider here the opposite limit of negligible conductivity, where the charges are tied completely to the moving matter. This is an extreme limiting case which can provide a useful reference against which to compare subsequent more complicated astrophysically motivated calculations. To clearly demonstrate the features of our model, we construct three-dimensional axisymmetric charged toroidal configurations around Reissner-Nordstroem black holes and compare them with equivalent configurations of electrically neutral tori.

  11. Equilibrium states and ground state of two-dimensional fluid foams

    SciTech Connect

    Graner, F.; Jiang, Y.; Janiaud, E.; Flament, C.

    2001-01-01

    We study the equilibrium energies of two-dimensional (2D) noncoarsening fluid foams, which consist of bubbles with fixed areas. The equilibrium states correspond to local minima of the total perimeter. We present a theoretical derivation of energy minima; experiments with ferrofluid foams, which can be either highly distorted, locally relaxed, or globally annealed; and Monte Carlo simulations using the extended large-Q Potts model. For a dry foam with small size variance we develop physical insight and an electrostatic analogy, which enables us to (i) find an approximate value of the global minimum perimeter, accounting for (small) area disorder, the topological distribution, and physical boundary conditions; (ii) conjecture the corresponding pattern and topology: small bubbles sort inward and large bubbles sort outward, topological charges of the same signs ''repel'' while charges of the opposite signs ''attract;'' (iii) define local and global markers to determine directly from an image how far a foam is from its ground state; (iv) conjecture that, in a local perimeter minimum at prescribed topology, the pressure distribution and thus the edge curvature are unique. Some results also apply to 3D foams.

  12. Diffusive-convective transition in the non-equilibrium charging of an electric double layer

    NASA Astrophysics Data System (ADS)

    Lobaskin, Vladimir; Netz, Roland R.

    2016-12-01

    We study the non-equilibrium electrolyte kinetics in a planar nanocapacitor that is driven by periodically switching surfaces charges using simulations, theory and scaling analysis. The combined effects of inter-ionic charge correlations and hydrodynamic interactions lead to correlated convective behavior for weakly charged ions. These dynamic correlations, signaling the breakdown of the Poisson-Nernst-Planck theory, are distinct from static correlations that are manifested by the crossover from Poisson-Boltzmann to strong-coupling theory that occurs as the ion valency increases.

  13. Nonexistence of equilibrium states at absolute negative temperatures

    NASA Astrophysics Data System (ADS)

    Romero-Rochín, Víctor

    2013-08-01

    We show that states of macroscopic systems with purported absolute negative temperatures are not stable under small, yet arbitrary, perturbations. We prove the previous statement using the fact that, in equilibrium, the entropy takes its maximum value. We discuss that, while Ramsey theoretical reformulation of the second law for systems with negative temperatures is logically correct, it must be a priori assumed that those states are in thermodynamic equilibrium. Since we argue that those states cannot occur, reversible processes are impossible, and, thus, Ramsey identification of absolute negative temperatures is untenable.

  14. Near equilibrium distributions for beams with space charge in linear and nonlinear periodic focusing systems

    SciTech Connect

    Sonnad, Kiran G.; Cary, John R.

    2015-04-15

    A procedure to obtain a near equilibrium phase space distribution function has been derived for beams with space charge effects in a generalized periodic focusing transport channel. The method utilizes the Lie transform perturbation theory to canonically transform to slowly oscillating phase space coordinates. The procedure results in transforming the periodic focusing system to a constant focusing one, where equilibrium distributions can be found. Transforming back to the original phase space coordinates yields an equilibrium distribution function corresponding to a constant focusing system along with perturbations resulting from the periodicity in the focusing. Examples used here include linear and nonlinear alternating gradient focusing systems. It is shown that the nonlinear focusing components can be chosen such that the system is close to integrability. The equilibrium distribution functions are numerically calculated, and their properties associated with the corresponding focusing system are discussed.

  15. The Influence of Trapped Ions and Non-equilibrium EDF on Dust Particle Charging

    SciTech Connect

    Sukhinin, G. I.; Fedoseev, A. V.; Antipov, S. N.; Petrov, O. F.; Fortov, V. E.

    2008-09-07

    Dust particles charging in a low-pressure glow discharge was investigated theoretically with the help of model for trapped and free ions coupled with the self-consistent solution of Poisson equation for electric potential. Non-equilibrium (non-Maxwellian) character of electron energy distribution function depending on gas pressure and electric field was also taken into account on the basis of the solution of kinetic Boltzmann equation. The results were compared with the experimental measurements of dust particle charge depending on gas pressure. It was shown that the calculated effective charge, i.e. the difference of the dust particle charge and trapped ion charge, is in a fairly good agreement with the experimental data.

  16. Intrinsic surface reaction equilibrium constants of structurally charged amphoteric hydrotalcite-like compounds.

    PubMed

    Hou, Wan-Guo; Song, Shu E

    2004-01-15

    The relative equations among intrinsic surface reaction equilibrium constants (K in 1-pK model, K(a1)(int) and K(a2)(int) in 2-pK model, and *K(Na)(int) and *K(Cl)(int) in inert electrolyte chemical binding model), points of zero charge (PZC), and structural charge density (sigma(st)) for amphoteric solids with structural charge were established to investigate the effects of sigma(st) on intrinsic equilibrium constants and PZC. The intrinsic equilibrium constants of HTlc with general formulas [(Zn,Mg)(1-x)Al(x)(OH)(2)](Cl,OH)(x) and [Mg(1-x)(Fe,Al)(x)(OH)(2)](Cl,OH)(x) were evaluated. The following main conclusions were obtained. For amphoteric solids with structural charge, a point of zero net charge (PZNC) independent of electrolyte concentration (c) exists. A common intersection point (CIP) should appear among the acid-base titration curves at different c, and the pH at the CIP is pH(PZNC). The pK, pK(a1)(int), and pK(a2)(int) may be expressed as a function of pH(PZNC) and sigma(st), and these intrinsic equilibrium constants can be directly calculated from pH(PZNC) and sigma(st). The inert electrolyte chemical binding does not exist for amphoteric surfaces with structural charge. PZNC is not equal to the point of zero net proton charge (PZNPC) when sigma(st) not equal 0. pH(PZNC) > pH(PZNPC) when sigma(st)>0; pH(PZNC) < pH(PZNPC) when sigma(st)<0; and pH(PZNC) = pH(PZNPC) only when sigma(st)=0. With increasing c, the difference between pH(PZNC) and pH(PZNPC) decreases; i.e., pH(PZNPC) moves forward to pH(PZNC) with increasing c. For the HTlc samples studied, with increasing x, the pH(PZNC) and the pK(a1)(int) and pK(a2)(int) decrease, and the pK increases. These results can be explained on the basis of the affinity of metal cations for H(+) or OH(-) and the electrostatic interaction between the charging surface and H(+) or OH(-).

  17. Equilibrium Binding and Steady-State Enzyme Kinetics.

    ERIC Educational Resources Information Center

    Dunford, H. Brian

    1984-01-01

    Points out that equilibrium binding and steady-state enzyme kinetics have a great deal in common and that related equations and error analysis can be cast in identical forms. Emphasizes that if one type of problem solution is taught, the other is also taught. Various methods of data analysis are evaluated. (JM)

  18. Space charge corrected electron emission from an aluminum surface under non-equilibrium conditions

    SciTech Connect

    Wendelen, W.; Bogaerts, A.; Mueller, B. Y.; Rethfeld, B.; Autrique, D.

    2012-06-01

    A theoretical study has been conducted of ultrashort pulsed laser induced electron emission from an aluminum surface. Electron emission fluxes retrieved from the commonly employed Fowler-DuBridge theory were compared to fluxes based on a laser-induced non-equilibrium electron distribution. As a result, the two- and three-photon photoelectron emission parameters for the Fowler-DuBridge theory have been approximated. We observe that at regimes where photoemission is important, laser-induced electron emission evolves in a more smooth manner than predicted by the Fowler-DuBridge theory. The importance of the actual electron distribution decreases at higher laser fluences, whereas the contribution of thermionic emission increases. Furthermore, the influence of a space charge effect on electron emission was evaluated by a one dimensional particle-in-cell model. Depending on the fluences, the space charge reduces the electron emission by several orders of magnitude. The influence of the electron emission flux profiles on the effective electron emission was found to be negligible. However, a non-equilibrium electron velocity distribution increases the effective electron emission significantly. Our results show that it is essential to consider the non-equilibrium electron distribution as well as the space charge effect for the description of laser-induced photoemission.

  19. Low-charge-state RFQ injector

    SciTech Connect

    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.

  20. State of charge sensing means

    SciTech Connect

    Whitford, D.R.

    1980-05-13

    Electrolyte from a battery cell is circulated by pump, through a container which contains a hydrometer float, and back to the cell. The float has an opaque neck which interrupts light passing from a light source assembly to a light receiving assembly, and the receiving assembly controls slave means, which can be an illuminated sign, as for example a group of visible light emitting diodes, the number of which illuminated indicating the density of the electrolyte. The slave means can alternatively be a volt meter, or a battery charger, the rate of charge of which is controlled by a voltage signal.

  1. Effects of secondary yield parameter variation on predicted equilibrium potential of an object in a charging environment. [using computerized simulation

    NASA Technical Reports Server (NTRS)

    Purvis, C. K.

    1979-01-01

    The sensitivity of predicted equilibrium potential to changes in secondary electron yield parameters was investigated using MATCHG, a simple charging code which incorporates the NASCAP material property formulations. The equilibrium potential was found to be a sensitive function of one of the two parameters specifying secondary electron yield due to proton impact and of essentially all the parameters specifying yield due to electron impact. The information on the electron generated secondary yield parameters was discovered to be obtainable from monoenergetic beam charging data if charging rates as well as equilibrium potentials are accurately recorded.

  2. The Donnan equilibrium: I. On the thermodynamic foundation of the Donnan equation of state.

    PubMed

    Philipse, A; Vrij, A

    2011-05-18

    The thermodynamic equilibrium between charged colloids and an electrolyte reservoir is named after Frederic Donnan who first published on it one century ago (Donnan 1911 Z. Electrochem. 17 572). One of the intriguing features of the Donnan equilibrium is the ensuing osmotic equation of state which is a nonlinear one, even when both colloids and ions obey Van 't Hoff's ideal osmotic pressure law. The Donnan equation of state, nevertheless, is internally consistent; we demonstrate it to be a rigorous consequence of the phenomenological thermodynamics of a neutral bulk suspension equilibrating with an infinite salt reservoir. Our proof is based on an exact thermodynamic relation between osmotic pressure and salt adsorption which, when applied to ideal ions, does indeed entail the Donnan equation of state. Our derivation also shows that, contrary to what is often assumed, the Donnan equilibrium does not require ideality of the colloids: the Donnan model merely evaluates the osmotic pressure of homogeneously distributed ions, in excess of the pressure exerted by an arbitrary reference fluid of uncharged colloids. We also conclude that results from the phenomenological Donnan model coincide with predictions from statistical thermodynamics in the limit of weakly charged, point-like colloids.

  3. Electronically shielded solid state charged particle detector

    DOEpatents

    Balmer, David K.; Haverty, Thomas W.; Nordin, Carl W.; Tyree, William H.

    1996-08-20

    An electronically shielded solid state charged particle detector system having enhanced radio frequency interference immunity includes a detector housing with a detector entrance opening for receiving the charged particles. A charged particle detector having an active surface is disposed within the housing. The active surface faces toward the detector entrance opening for providing electrical signals representative of the received charged particles when the received charged particles are applied to the active surface. A conductive layer is disposed upon the active surface. In a preferred embodiment, a nonconductive layer is disposed between the conductive layer and the active surface. The conductive layer is electrically coupled to the detector housing to provide a substantially continuous conductive electrical shield surrounding the active surface. The inner surface of the detector housing is supplemented with a radio frequency absorbing material such as ferrite.

  4. Electronically shielded solid state charged particle detector

    DOEpatents

    Balmer, D.K.; Haverty, T.W.; Nordin, C.W.; Tyree, W.H.

    1996-08-20

    An electronically shielded solid state charged particle detector system having enhanced radio frequency interference immunity includes a detector housing with a detector entrance opening for receiving the charged particles. A charged particle detector having an active surface is disposed within the housing. The active surface faces toward the detector entrance opening for providing electrical signals representative of the received charged particles when the received charged particles are applied to the active surface. A conductive layer is disposed upon the active surface. In a preferred embodiment, a nonconductive layer is disposed between the conductive layer and the active surface. The conductive layer is electrically coupled to the detector housing to provide a substantially continuous conductive electrical shield surrounding the active surface. The inner surface of the detector housing is supplemented with a radio frequency absorbing material such as ferrite. 1 fig.

  5. Electronically shielded solid state charged particle detector

    SciTech Connect

    Balmer, D.K.; Haverty, T.W.; Nordin, C.W.; Tyree, W.H.

    1995-12-31

    An electronically shielded solid state charged particle detector system having enhanced radio frequency interference immunity includes a detector housing with a detector entrance opening for receiving the charged particles. A charged particle detector having an active surface is disposed within the housing. The active surface faces toward the detector entrance opening for providing electrical signals representative of the received charged particles when the received charged particles are applied to the active surface. A conductive layer is disposed upon the active surface. In a preferred embodiment, a nonconductive layer is disposed between the conductive layer and the active surface. The conductive layer is electrically coupled to the detector housing to provide a substantially continuous conductive electrical shield surrounding the active surface. The inner surface of the detector housing is supplemented with a radio frequency absorbing material such as ferrite.

  6. Elasto-electro-capillarity: drop equilibrium on a charged, elastic solid.

    PubMed

    Jing, Haoyuan; Sinha, Shayandev; Das, Siddhartha

    2017-01-18

    We present a study here on elasto-electro-capillarity - for the first time, the matter of drop equilibrium on a soft (elastic and incompressible) and charged solid has been studied. Charges on the elastic solid induce an electric double layer or EDL at the solid-drop interface. Our analysis accounts for the electrostatic wetting contribution of the EDL in the overall energy balance. Our results reveal that (a) with an increase in "softness", the equilibrium solid-liquid contact angles show transition from the EDL-modified Young's law (rigid limit) to the EDL-modified Neumann's law (soft limit); (b) the EDL effects invariably enhance solid deformation and lower the apparent contact angle made by the drop with the undeformed solid; (c) the solid contact angles increase and the cusp made by the deformed solid undergoes enhanced rotation due to the EDL effects; and (d) the EDL effects are more prominent for the case where the solid-vapor surface energy exceeds the solid-liquid surface energy. The fact that the EDL effects invariably decrease the overall wetting energy of the system, thereby supporting a larger increase in the elastic energy associated with a larger solid deformation, explains all these findings and establishes that surface charges enhance the "softness" of a soft surface in the context of elastocapillarity.

  7. Entropy Production and Non-Equilibrium Steady States

    NASA Astrophysics Data System (ADS)

    Suzuki, Masuo

    2013-01-01

    The long-term issue of entropy production in transport phenomena is solved by separating the symmetry of the non-equilibrium density matrix ρ(t) in the von Neumann equation, as ρ(t) = ρs(t) + ρa(t) with the symmetric part ρs(t) and antisymmetric part ρa(t). The irreversible entropy production (dS/dt)irr is given in M. Suzuki, Physica A 390(2011)1904 by (dS/dt)irr = Tr( {H}(dρ s{(t)/dt))}/T for the Hamiltonian {H} of the relevant system. The general formulation of the extended von Neumann equation with energy supply and heat extraction is reviewed from the author's paper (M. S.,Physica A391(2012)1074). irreversibility; entropy production; transport phenomena; electric conduction; thermal conduction; linear response; Kubo formula; steady state; non-equilibrium density matrix; energy supply; symmetry-separated von Neumann equation; unboundedness.

  8. Interaction in equilibrium plasmas of charged macroparticles located in nodes of cubic lattices

    NASA Astrophysics Data System (ADS)

    Filippov, A. V.

    2016-11-01

    Interaction of two charged pointlike macroparticles located at nodes of simple cubic (sc), body-centered cubic (bcc) and face-centered cubic (fcc) lattices in an equilibrium plasma is studied within the linearized Poisson-Boltzmann model. It is shown that the boundary shape has a strong influence on the electrostatic interaction between two macroparticles, which switches from repulsion at small interparticle distances to attraction as it approaches the halflength of a computational cell. It is found that in a case of dust particles arranged in the nodes of the sc, bcc and fcc lattices, the electrostatic force acting on them is equal to zero and the nature of the interaction changes from repulsion to attraction; hence, the infinite sc, bcc and fcc lattices of charged dust particles are thermodynamically stable at rather low temperatures.

  9. Liquid-vapor equilibrium-states and critical properties of aluminum from dense plasma equation-of-state

    NASA Astrophysics Data System (ADS)

    Zaghloul, Mofreh

    2016-10-01

    We present successful estimates of the critical properties and liquid-vapor equilibrium states of pure aluminum fluid as predicted from a chemical model for the equation-of-state of hot dense partially ionized plasma. The essential features of strongly-coupled plasma of metal vapors, such as, multiple ionization, Coulomb interactions among charged particles, partial degeneracy, and intensive short range hard core repulsion are taken into consideration. Internal partition functions of neutral, excited, and ionized species are thoughtfully evaluated in a statistical-mechanically consistent way implementing recent developments in the literature. Results predicted from the present model are discussed and carefully examined against available data and predictions in the literature.

  10. Scalar Fluctuations from Extended Non-equilibrium Thermodynamic States

    NASA Astrophysics Data System (ADS)

    Nettleton, R. E.

    1985-10-01

    In the framework of extended non-equilibrium thermodynamics, the local non-equilibrium state of a liquid is described by the density, temperature, and a structural variable, ζ, and its rate-of-change. ζ is the ensemble average of a function A (Q) of the configuration co-ordinates, and it is assumed to relax to local equilibrium in a time short compared to the time for diffusion of an appreciable number of particles into the system. By a projection operator technique of Grabert, an equation is derived from the Liouville equation for the distribution of fluctuations in TV, the particle number, and in A and Ȧ. An approximate solution is proposed which exhibits nonequilibrium corrections to the Einstein function in the form of a sum of thermodynamic forces. For a particular structural model, the corresponding non-Einstein contributions to correlation functions are estimated to be very small. For variables of the type considered here, the thermodynamic pressure is found to equal the pressure trace.

  11. Equilibrium state of a trapped two-dimensional Bose gas

    SciTech Connect

    Rath, Steffen P.; Yefsah, Tarik; Guenter, Kenneth J.; Cheneau, Marc; Desbuquois, Remi; Dalibard, Jean; Holzmann, Markus; Krauth, Werner

    2010-07-15

    We study experimentally and numerically the equilibrium density profiles of a trapped two-dimensional {sup 87}Rb Bose gas and investigate the equation of state of the homogeneous system using the local density approximation. We find a clear discrepancy between in situ measurements and quantum Monte Carlo simulations, which we attribute to a nonlinear variation of the optical density of the atomic cloud with its spatial density. However, good agreement between experiment and theory is recovered for the density profiles measured after time of flight, taking advantage of their self-similarity in a two-dimensional expansion.

  12. Tokamak magnetohydrodynamic equilibrium states with axisymmetric boundary and a 3D helical core.

    PubMed

    Cooper, W A; Graves, J P; Pochelon, A; Sauter, O; Villard, L

    2010-07-16

    Magnetohydrodynamic (MHD) equilibrium states with imposed axisymmetric boundary are computed in which a spontaneous bifurcation develops to produce an internal three-dimensional (3D) configuration with a helical structure in addition to the standard axisymmetric system. Equilibrium states with similar MHD energy levels are shown to develop very different geometric structures. The helical equilibrium states resemble saturated internal kink mode structures.

  13. Tokamak Magnetohydrodynamic Equilibrium States with Axisymmetric Boundary and a 3D Helical Core

    SciTech Connect

    Cooper, W. A.; Graves, J. P.; Pochelon, A.; Sauter, O.; Villard, L.

    2010-07-16

    Magnetohydrodynamic (MHD) equilibrium states with imposed axisymmetric boundary are computed in which a spontaneous bifurcation develops to produce an internal three-dimensional (3D) configuration with a helical structure in addition to the standard axisymmetric system. Equilibrium states with similar MHD energy levels are shown to develop very different geometric structures. The helical equilibrium states resemble saturated internal kink mode structures.

  14. Charge transfer states of the reaction center

    NASA Astrophysics Data System (ADS)

    Scherer, P. O. J.; Fischer, Sighart F.

    1998-08-01

    The energies of the low lying charge transfer states relevant for the photoinduced charge separation are analysed for Rps. viridis. The main prosthetic groups consisting of the special pair dimer P, the two adjacent monomers BL, and BM and the two pheophytines HL and HM are treated together with the surrounding residues quantum mechanically within a supermolecule approach on the basis of an INDO approximation. High order configuration interactions are incorporated to account for polarization effects and long range electrostatic effects of the protein are considered. The results are analyzed with regard to symmetry breaking effects between the L- and the M-branch. Internal reorganization effects within the dimer are also discussed.

  15. State densities and ionization equilibrium of atoms in dense plasmas

    NASA Astrophysics Data System (ADS)

    Shimamura, Isao; Fujimoto, Takashi

    1990-08-01

    The semiclassical Bohr-Sommerfeld quantization condition is used to derive an approximate analytical expression for the state density of the hydrogen atom in a dense plasma. An ion-sphere model with an infinitely high potential wall is assumed. The expression leads to a universal curve that spans all values of the electron density. The curve is continuous and smooth over the entire energy range, starting from the hydrogenic state density for low-lying bound states and approaching the plane-wave state density in the high-energy limit of the continuum. The number of bound states is approximately proportional to the inverse of the square root of the electron density. Integration of the state density over the Boltzmann distribution of the electronic energy results in an ionization equilibrium relation, leading to modified Saha's equation. The correction factor for this modified equation is a function of both the electron temperature and the electron density, and is expressed as a universal function of the ion coupling parameter.

  16. Charging of silver bromide aqueous interface: evaluation of interfacial equilibrium constants from surface potential data.

    PubMed

    Preočanin, Tajana; Supljika, Filip; Kallay, Nikola

    2010-06-01

    A single crystal silver bromide electrode (SCr-AgBr) was used to measure the inner surface potential (Ψ(0)) at the silver bromide aqueous electrolyte interface as a function of the activities of Br(-) and Ag(+). Absolute values of the surface potential were calculated from electrode potentials of SCr-AgBr using the value of point of zero charge (pBr(pzc)=6.9 [H.A. Hoyen, R.M. Cole, J. Colloid Interface Sci. 41 (1972) 93.]) as the value of point of zero potential. Measurements were performed in potassium nitrate aqueous solutions. The Ψ(0)(pBr) function was linear and slightly dependent on the ionic strength. The reduction values of the slope with respect to the Nernst equation, expressed by the α coefficient, were 0.880,0.935, and 0.950 at ionic strengths of 10(-4), 10(-3), and 10(-2) mol dm(-3), respectively. The results were successfully interpreted by employing the surface complexation model, developed originally for metal oxides and adapted for silver halides. The thermodynamic ("intrinsic") equilibrium constants for binding of bromide (K(n)(∘)) and silver (K(p)(∘)) ions on the corresponding sites at the silver bromide surface were evaluated as lgK(n)(∘)=3.98; lgK(p)(∘)=2.48. Symmetrical counterion surface association was assumed and equilibrium constants were obtained as lgK(NO(3)(-))(∘)=lgK(K(+))(∘)=4.30.

  17. Macroscopic Fluctuation Theory for Stationary Non-Equilibrium States

    NASA Astrophysics Data System (ADS)

    Bertini, L.; de Sole, A.; Gabrielli, D.; Jona-Lasinio, G.; Landim, C.

    2002-05-01

    We formulate a dynamical fluctuation theory for stationary non-equilibrium states (SNS) which is tested explicitly in stochastic models of interacting particles. In our theory a crucial role is played by the time reversed dynamics. Within this theory we derive the following results: the modification of the Onsager-Machlup theory in the SNS; a general Hamilton-Jacobi equation for the macroscopic entropy; a non-equilibrium, nonlinear fluctuation dissipation relation valid for a wide class of systems; an H theorem for the entropy. We discuss in detail two models of stochastic boundary driven lattice gases: the zero range and the simple exclusion processes. In the first model the invariant measure is explicitly known and we verify the predictions of the general theory. For the one dimensional simple exclusion process, as recently shown by Derrida, Lebowitz, and Speer, it is possible to express the macroscopic entropy in terms of the solution of a nonlinear ordinary differential equation; by using the Hamilton-Jacobi equation, we obtain a logically independent derivation of this result.

  18. State of charge indicators for a battery

    DOEpatents

    Rouhani, S. Zia

    1999-01-01

    The present invention relates to state of charge indicators for a battery. One aspect of the present invention utilizes expansion and contraction displacements of an electrode plate of a battery to gauge the state of charge in the battery. One embodiment of a battery of the present invention includes an anodic plate; a cathodic plate; an electrolyte in contact with the anodic and cathodic plates; plural terminals individually coupled with one of the anodic and cathodic plates; a separator intermediate the anodic and cathodic plates; an indicator configured to indicate an energy level of the battery responsive to movement of the separator; and a casing configured to house the anodic and cathodic plates, electrolyte, and separator.

  19. Long-range repulsive charged colloids in and out of equilibrium

    NASA Astrophysics Data System (ADS)

    van der Linden, M. N.

    2013-04-01

    (stabiliser covalently attached to surface). In binary systems we observed the spontaneous formation of alternating strings, with the two charged species having charges of the same sign, but of different magnitude. We investigated long-range repulsive glasses with volume fractions 0.16-0.64, which were obtained upon compression by centrifugation and subsequent expansion of the sediment in gravity. Crystallisation of the glasses was prevented by the presence of small clusters formed during centrifugation. The structure of the glasses was found to be remarkably similar to that of hard-sphere glasses, despite the much longer-range interaction potential. After more than ten weeks the fraction of clustered particles decreased due to spontaneous dissociation of the clusters, and bulk crystallisation of the glasses was observed. We studied experimentally the equilibrium sedimentation profiles in binary mixtures. In a well-tuned experimental system we observed the colloidal Brazil-nut effect, an ordering of the particles contrary to what would be expected on the basis of their buoyant mass: in equilibrium the heavier particles stayed further from the surface onto which the particles sedimented than the lighter particles.

  20. Equilibrium wave spectrum and sea state bias in satellite altimetry

    NASA Technical Reports Server (NTRS)

    Glazman, Roman E.; Srokosz, Meric A.

    1991-01-01

    For a well-developed sea at equilibrium with a constant wind, the energy-containing range of the wavenumber spectrum for wind-generated gravity waves is approximated by a generalized power law involving the angular spread function and mu, interpreted as a fractal codimension of a small surface patch. Dependence of mu on the wave age is estimated, and the 'Phillips constant', beta, along with the low-wavenumber boundary, k0, of the inertial subrange are analyzed on the basis of the wave action and energy conservation principles. The resulting expressions are employed to evaluate various non-Gaussian statistics of a weakly nonlinear sea surface, which determine the sea state bias in satellite altimetry. The locally accelerated decay of the spectral density function in a high-wavenumber dissipation subrange is pointed out as an important factor of wave dynamics and the geometrical optics treatment of the sea state bias. The analysis is carried out in the approximation of a unidirectional wave field and confined to the case of a well-developed sea.

  1. Caloric and entropic temperatures in non-equilibrium steady states

    NASA Astrophysics Data System (ADS)

    Jou, D.; Restuccia, L.

    2016-10-01

    We examine the non-equilibrium consequences of two different definitions of temperature in systems out of equilibrium: one is based on the internal energy (caloric temperature), and the other one on the entropy (entropic temperature). We discuss the relation between the values obtained from these two definitions in ideal gases and in two-level systems.

  2. Transport in Out-of-Equilibrium X X Z Chains: Exact Profiles of Charges and Currents

    NASA Astrophysics Data System (ADS)

    Bertini, Bruno; Collura, Mario; De Nardis, Jacopo; Fagotti, Maurizio

    2016-11-01

    We consider the nonequilibrium time evolution of piecewise homogeneous states in the X X Z spin-1 /2 chain, a paradigmatic example of an interacting integrable model. The initial state can be thought of as the result of joining chains with different global properties. Through dephasing, at late times, the state becomes locally equivalent to a stationary state which explicitly depends on position and time. We propose a kinetic theory of elementary excitations and derive a continuity equation which fully characterizes the thermodynamics of the model. We restrict ourselves to the gapless phase and consider cases where the chains are prepared: (1) at different temperatures, (2) in the ground state of two different models, and (3) in the "domain wall" state. We find excellent agreement (any discrepancy is within the numerical error) between theoretical predictions and numerical simulations of time evolution based on time-evolving block decimation algorithms. As a corollary, we unveil an exact expression for the expectation values of the charge currents in a generic stationary state.

  3. Non-equilibrium energy loss for very highly charged ions in insulators

    SciTech Connect

    Briere, M.A.; Schenkel, T.; Bauer, P.; Amau, A.

    1996-12-31

    The energy loss of 144 keV Ar{sup +16} ions on a bilayer structure of C-CaF{sub 2} has been measured. An asymmetry in the results is found depending on which layer is passed by the ion first: the energy loss is about four times larger when the CaF{sub 2} layer is traversed by the ion first. We interpret this as an indication of the existence of a nonequilibrium charge state of the Ar ions inside the solid in the case of the insulator.

  4. The effect of reagent charge state on the charge inversion efficiency of singly charged polyatomic ions in the gas phase.

    PubMed

    Hassell, Kerry M; Hilger, Ryan T; McLuckey, Scott A

    2011-11-07

    A variety of combinations of oppositely charged ions have been reacted to examine the role of the charge state from a multiply protonated or multiply deprotonated reagent ion on the efficiency of conversion of a singly charged ion of opposite polarity to a singly charged ion of the same polarity as the reagent. Maximum efficiencies on the order of tens of percent were observed. A threshold for charge inversion was noted in all cases and, with one exception, a clear decrease in efficiency was also noted at high charge states. A model was developed to predict charge inversion efficiency based on charge states, cross-sections of the reactants, and relevant thermodynamic ion affinity values for the reactants and products. The model predicts a threshold for charge inversion, although the prediction does not match the observed threshold quantitatively. This discrepancy is likely due to a simplifying assumption that is not justified on a quantitative basis but which does reproduce the qualitative trend. The model does not predict the major decrease in efficiency at high charge states. However, calculations show that the kinetic energies of the charge inversion products can lead to significant scattering losses at high charge states of the ion-ion collision complex.

  5. Nickel-hydrogen battery state of charge during low rate trickle charging

    NASA Technical Reports Server (NTRS)

    Lurie, C.; Foroozan, S.; Brewer, J.; Jackson, L.

    1996-01-01

    The NASA AXAF-I program requires high battery state of charge at launch. Traditional approaches to providing high state of charge, during prelaunch operations, require significant battery cooling. The use of active cooling, in the AXAF-I prelaunch environment, was considered and proved to be difficult to implement and very expensive. Accordingly alternate approaches were considered. An approach utilizing adiabatic charging and low rate trickle charge, was investigated and proved successful.

  6. 77 FR 60005 - Schedule of Charges Outside the United States

    Federal Register 2010, 2011, 2012, 2013, 2014

    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...

  7. Exit charge state dependence of convoy electron production in heavy-ion solid collisions

    SciTech Connect

    Huelskoetter, H.P.; Burgdoerfer, J.; Sellin, I.A.

    1986-01-01

    The dependence of the yield of convoy electrons emitted near the forward direction in collisions involving fast ions and thin solid targets on the emergent projectile charge state is presented and described in terms of primary electron loss events in the solid. The data include a large array of projectiles, projectile energies and charge states, as well as targets ranging in thickness from the non-equilibrium well into the equilibrium thickness region. The description presented is consistent with other experimental and theoretical results indicating that the convoy electron production is closely linked to the ELC process observed in binary ion-atom collisions, with the dominant contribution to the convoy yield stemming from excited states of the projectiles. 22 refs., 3 figs.

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

    SciTech Connect

    Shavlov, A. V.; Dzhumandzhi, V. A.

    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.

  9. Dynamic relaxation of a levitated nanoparticle from a non-equilibrium steady state.

    PubMed

    Gieseler, Jan; Quidant, Romain; Dellago, Christoph; Novotny, Lukas

    2014-05-01

    Fluctuation theorems are a generalization of thermodynamics on small scales and provide the tools to characterize the fluctuations of thermodynamic quantities in non-equilibrium nanoscale systems. They are particularly important for understanding irreversibility and the second law in fundamental chemical and biological processes that are actively driven, thus operating far from thermal equilibrium. Here, we apply the framework of fluctuation theorems to investigate the important case of a system relaxing from a non-equilibrium state towards equilibrium. Using a vacuum-trapped nanoparticle, we demonstrate experimentally the validity of a fluctuation theorem for the relative entropy change occurring during relaxation from a non-equilibrium steady state. The platform established here allows non-equilibrium fluctuation theorems to be studied experimentally for arbitrary steady states and can be extended to investigate quantum fluctuation theorems as well as systems that do not obey detailed balance.

  10. Directed percolation identified as equilibrium pre-transition towards non-equilibrium arrested gel states

    NASA Astrophysics Data System (ADS)

    Laurati, Marco; Capellmann, Ronja; Kohl, Matthias; Egelhaaf, Stefan; Schmiedeberg, Michael

    The macroscopic properties of gels arise from their slow dynamics and load bearing network structure, which are exploited by nature and in numerous industrial products. However, a link between these structural and dynamical properties has remained elusive. Here we present confocal microscopy exper- iments and simulations of gel-forming colloid-polymer mixtures with competing interactions. They reveal that gel formation is preceded by continuous and directed percolation. Both transitions lead to system spanning networks, but only directed percolation results in extremely slow dynamics, ageing and a shrinking of the gel that resembles syneresis. Therefore, dynamical arrest in gels is found to be linked to a structural transition, namely directed percolation, which is quantitatively associated with the mean number of bonded neighbours. Directed percolation is a universality class of transitions out of equilibrium, our study hence connects gel formation to a well-developed theoretical framework which now can be exploited to achieve a detailed understanding of arrested gels.

  11. Validity of Saha's equation of thermal ionization for negatively charged spherical particles in complex plasmas in thermal equilibrium

    SciTech Connect

    Sodha, M. S.; Mishra, S. K.

    2011-04-15

    The authors have discussed the validity of Saha's equation for the charging of negatively charged spherical particles in a complex plasma in thermal equilibrium, even when the tunneling of the electrons, through the potential energy barrier surrounding the particle is considered. It is seen that the validity requires the probability of tunneling of an electron through the potential energy barrier surrounding the particle to be independent of the direction (inside to outside and vice versa) or in other words the Born's approximation should be valid.

  12. Numerical Analysis of Threshold between Laser-Supported Detonation and Combustion Wave Using Thermal Non-Equilibrium and Multi-Charged Ionization Model

    NASA Astrophysics Data System (ADS)

    Shiraishi, Hiroyuki; Kumagai, Yuya

    Laser-supported Detonation (LSD), which is one type of Laser-supported Plasma (LSP), is an important phenomenon because it can generate high pressures and temperatures for laser absorption. In this study, using thermal-non-equilibrium model, we numerically simulate LSPs, which are categorized as either LSDs or laser-supported combustion-waves (LSCs). For the analysis model, a two-temperature (heavy particle and electron-temperature) model has been used because the electronic mode excites first in laser absorption and a thermal non-equilibrium state easily arises. In the numerical analysis of the LSDs, laser absorption models are particularly important. Therefore, a multi-charged ionization model is considered to evaluate precisely the propagation and the structure transition of the LSD waves in the proximity of the LSC-LSD threshold. In the new model, the transition of the LSD construction near the threshold, which is indicated by the ionization delay length, becomes more practical.

  13. Non-equilibrium steady states: fluctuations and large deviations of the density and of the current

    NASA Astrophysics Data System (ADS)

    Derrida, Bernard

    2007-07-01

    These lecture notes give a short review of methods such as the matrix ansatz, the additivity principle or the macroscopic fluctuation theory, developed recently in the theory of non-equilibrium phenomena. They show how these methods allow us to calculate the fluctuations and large deviations of the density and the current in non-equilibrium steady states of systems like exclusion processes. The properties of these fluctuations and large deviation functions in non-equilibrium steady states (for example, non-Gaussian fluctuations of density or non-convexity of the large deviation function which generalizes the notion of free energy) are compared with those of systems at equilibrium.

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

    PubMed

    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.

  15. Effect of secondary electron emission on nonlinear dust acoustic wave propagation in a complex plasma with negative equilibrium dust charge

    NASA Astrophysics Data System (ADS)

    Bhakta, Subrata; Ghosh, Uttam; Sarkar, Susmita

    2017-02-01

    In this paper, we have investigated the effect of secondary electron emission on nonlinear propagation of dust acoustic waves in a complex plasma where equilibrium dust charge is negative. The primary electrons, secondary electrons, and ions are Boltzmann distributed, and only dust grains are inertial. Electron-neutral and ion-neutral collisions have been neglected with the assumption that electron and ion mean free paths are very large compared to the plasma Debye length. Both adiabatic and nonadiabatic dust charge variations have been separately taken into account. In the case of adiabatic dust charge variation, nonlinear propagation of dust acoustic waves is governed by the KdV (Korteweg-de Vries) equation, whereas for nonadiabatic dust charge variation, it is governed by the KdV-Burger equation. The solution of the KdV equation gives a dust acoustic soliton, whose amplitude and width depend on the secondary electron yield. Similarly, the KdV-Burger equation provides a dust acoustic shock wave. This dust acoustic shock wave may be monotonic or oscillatory in nature depending on the fact that whether it is dissipation dominated or dispersion dominated. Our analysis shows that secondary electron emission increases nonadiabaticity induced dissipation and consequently increases the monotonicity of the dust acoustic shock wave. Such a dust acoustic shock wave may accelerate charge particles and cause bremsstrahlung radiation in space plasmas whose physical process may be affected by secondary electron emission from dust grains. The effect of the secondary electron emission on the stability of the equilibrium points of the KdV-Burger equation has also been investigated. This equation has two equilibrium points. The trivial equilibrium point with zero potential is a saddle and hence unstable in nature. The nontrivial equilibrium point with constant nonzero potential is a stable node up to a critical value of the wave velocity and a stable focus above it. This critical

  16. Formation of High Charge State Heavy Ion Beams with intense Space Charge

    SciTech Connect

    Seidl, P.A.; Vay, J-L.

    2011-03-01

    High charge-state heavy-ion beams are of interest and used for a number of accelerator applications. Some accelerators produce the beams downstream of the ion source by stripping bound electrons from the ions as they pass through a foil or gas. Heavy-ion inertial fusion (HIF) would benefit from low-emittance, high current ion beams with charge state >1. For these accelerators, the desired dimensionless perveance upon extraction from the emitter is {approx}10{sup -3}, and the electrical current of the beam pulse is {approx}1 A. For accelerator applications where high charge state and very high current are desired, space charge effects present unique challenges. For example, in a stripper, the separation of charge states creates significant nonlinear space-charge forces that impact the beam brightness. We will report on the particle-in-cell simulation of the formation of such beams for HIF, using a thin stripper at low energy.

  17. Solid state cloaking for electrical charge carrier mobility control

    DOEpatents

    Zebarjadi, Mona; Liao, Bolin; Esfarjani, Keivan; Chen, Gang

    2015-07-07

    An electrical mobility-controlled material includes a solid state host material having a controllable Fermi energy level and electrical charge carriers with a charge carrier mobility. At least one Fermi level energy at which a peak in charge carrier mobility is to occur is prespecified for the host material. A plurality of particles are distributed in the host material, with at least one particle disposed with an effective mass and a radius that minimize scattering of the electrical charge carriers for the at least one prespecified Fermi level energy of peak charge carrier mobility. The minimized scattering of electrical charge carriers produces the peak charge carrier mobility only at the at least one prespecified Fermi level energy, set by the particle effective mass and radius, the charge carrier mobility being less than the peak charge carrier mobility at Fermi level energies other than the at least one prespecified Fermi level energy.

  18. Classifying magnetic and superfluid equilibrium states in magnets with the spin s = 1

    NASA Astrophysics Data System (ADS)

    Kovalevskii, M. Yu.

    2016-03-01

    Based on the method of quasiaverages, we classify magnetic and superfluid equilibrium states in magnets with the spin s = 1. Under certain simplifications, assumptions about the residual symmetry of degenerate states and the transformation properties of order parameter operators under transformations generated by additive integrals of motions lead to linear algebraic equations for a classification of the equilibrium means of the order parameters. We consider different cases of the magnetic SO(3) or SU(3) symmetry breaking and obtain solutions for the vector and tensor order parameters for particular forms of the parameters of the residual symmetry generators. We study the equilibriums of magnets with simultaneously broken phase and magnetic symmetries. We find solutions of the classification equations for superfluid equilibrium states and establish relations between the parameters of the residual symmetry generator that allow the thermodynamic coexistence of nonzero equilibrium means of the order parameters.

  19. Excited-state charging energies in quantum dots investigated by terahertz photocurrent spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhang, Y.; Shibata, K.; Nagai, N.; Ndebeka-Bandou, C.; Bastard, G.; Hirakawa, K.

    2016-06-01

    We have investigated the excited-state (ES) charging energies in quantum dots (QDs) by measuring a terahertz (THz)-induced photocurrent in a single-electron transistor (SET) geometry that contains a single InAs QD between metal nanogap electrodes. A photocurrent is produced in the QD SETs through THz intersublevel transitions and the subsequent resonant tunneling. We have found that the photocurrent exhibits stepwise change even within one Coulomb blockaded region as the electrochemical potential in the QD is swept by the gate voltage. From the threshold for the photocurrent generation, we have determined the charging energies for adding an electron in the photoexcited state in the QD. Furthermore, the charging energies for the ESs with different electron configurations are clearly resolved. The present THz photocurrent measurements are essentially dynamical experiments and allow us to analyze electronic properties in off-equilibrium states in the QD.

  20. [The accuracy of rapid equilibrium assumption in steady-state enzyme kinetics is the function of equilibrium segment structure and properties].

    PubMed

    Vrzheshch, P V

    2015-01-01

    Quantitative evaluation of the accuracy of the rapid equilibrium assumption in the steady-state enzyme kinetics was obtained for an arbitrary mechanism of an enzyme-catalyzed reaction. This evaluation depends only on the structure and properties of the equilibrium segment, but doesn't depend on the structure and properties of the rest (stationary part) of the kinetic scheme. The smaller the values of the edges leaving equilibrium segment in relation to values of the edges within the equilibrium segment, the higher the accuracy of determination of intermediate concentrations and reaction velocity in a case of the rapid equilibrium assumption.

  1. Observations of Nighttime HONO in an Urban Area: Steady States, Dynamic Equilibrium States and Reversible Reservoirs

    NASA Astrophysics Data System (ADS)

    McLaren, Robert; Wojtal, Patryk

    2013-04-01

    Nitrous acid (HONO) is an important radical precursor in the troposphere. Recent consensus suggests that HONO is formed in the dark through the heterogeneous hydrolysis of NO2 on surfaces (2 NO2 + H2O -> HONO + HNO3), largely dominated by hydrolysis on ground surfaces and a smaller contribution from aerosol surfaces. Frequently a steady state of HONO is observed (dHONO/dt ~ 0) at night, which has been ascribed to a balance between heterogeneous formation and dry deposition. The fate of the surface deposited HONO remains an open question with the possibilities including the permanent loss of N(III), accumulation of surface reservoirs of N(III) at night, and/or a full dynamic equilibrium that partitions HONO between the atmosphere and water on the surface. Surface reservoirs of N(III) accumulated at night could act as a source of HONO the next day. Here we report measurements of HONO by DOAS in Toronto for a 1-year period. Of interest is the frequently observed phenomena of a fast approach to a steady state at sunset with rates of increase of d[HONO]/dt = 1.4 ppb/hr (with snow cover) and long periods in which the mixing ratio of HONO is constant with a median level of ~ 1.1 ppb. We discuss these observations in the context of the steady state being attributable to a dynamic equilibrium state.

  2. A unified approach to modelling the charge state of monatomic hydrogen and other defects in crystalline silicon

    NASA Astrophysics Data System (ADS)

    Sun, Chang; Rougieux, Fiacre E.; Macdonald, Daniel

    2015-01-01

    There are a number of existing models for estimating the charge states of defects in silicon. In order of increasing complexity, these are (a) the Fermi-Dirac distribution, (b) the Shockley-Last model, (c) the Shockley-Read-Hall model, and (d) the Sah-Shockley model. In this work, we demonstrate their consistency with the general occupancy ratio α, and show that this parameter can be universally applied to predict the charge states of both monovalent and multivalent deep levels, under either thermal equilibrium or steady-state conditions with carrier injection. The capture cross section ratio is shown to play an important role in determining the charge state under non-equilibrium conditions. The application of the general occupancy ratio is compared with the quasi-Fermi levels, which are sometimes used to predict the charge states in the literature, and the conditions where the latter can be a good approximation are identified. The general approach is then applied to the prediction of the temperature- and injection level-dependent charge states for the technologically important case of multivalent monatomic hydrogen, and several other key monovalent deep levels including Fe, Cr, and the boron-oxygen complex in silicon solar cells. For the case of hydrogen, we adapt the model of Herring et al., which describes the charge states of hydrogen in thermal equilibrium, and generalize it for non-equilibrium conditions via the inclusion of the general occupancy ratio, while retaining the pre-factors which make the model more complete. Based on these results, the impact of temperature and injection on the hydrogenation of the key monovalent defects, and other pairing reactions, are discussed, demonstrating that the presented model provides a rigorous methodology for understanding the impact of charge states.

  3. 78 FR 61446 - Schedule of Charges Outside the United States

    Federal Register 2010, 2011, 2012, 2013, 2014

    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....

  4. 75 FR 65401 - Schedule of Charges Outside the United States

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-10-22

    ... 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....

  5. Equilibrium and kinetic aspects of sodium cromoglycate adsorption on chitosan: mass uptake and surface charging considerations.

    PubMed

    de Lima, C R M; Pereira, M R; Fonseca, J L C

    2013-09-01

    Chitosan has more and more been suggested as a material for use as adsorbent in the treatment of effluents as well as in the synthesis of drug-loaded nanoparticles for controlled release. In both cases, a good understanding of the process of adsorption, both kinetically and in terms of equilibrium, has an importance of its own. In this manuscript we study the interaction between sodium cromoglycate, a drug used in asthma treatment, and chitosan. Equilibrium experiments showed that Sips (or Freundlich-Langmuir) isotherm described well the resultant data and adsorption possibly occurred as in multilayers. A model based on ordinary reaction-rate theory, compounded of two processes, each one with a correlated velocity constant, described the kinetics of sorption. Kinetic and equilibrium data suggested the possibility of surface rearrangement, favored by the increase of temperature.

  6. Equilibrium fluid-crystal interfacial free energy of bcc-crystallizing aqueous suspensions of polydisperse charged spheres

    NASA Astrophysics Data System (ADS)

    Palberg, Thomas; Wette, Patrick; Herlach, Dieter M.

    2016-02-01

    The interfacial free energy is a central quantity in crystallization from the metastable melt. In suspensions of charged colloidal spheres, nucleation and growth kinetics can be accurately measured from optical experiments. In previous work, from these data effective nonequilibrium values for the interfacial free energy between the emerging bcc nuclei and the adjacent melt in dependence on the chemical potential difference between melt phase and crystal phase were derived using classical nucleation theory (CNT). A strictly linear increase of the interfacial free energy was observed as a function of increased metastability. Here, we further analyze these data for five aqueous suspensions of charged spheres and one binary mixture. We utilize a simple extrapolation scheme and interpret our findings in view of Turnbull's empirical rule. This enables us to present the first systematic experimental estimates for a reduced interfacial free energy, σ0 ,b c c, between the bcc-crystal phase and the coexisting equilibrium fluid. Values obtained for σ0 ,b c c are on the order of a few kBT . Their values are not correlated to any of the electrostatic interaction parameters but rather show a systematic decrease with increasing size polydispersity and a lower value for the mixture as compared to the pure components. At the same time, σ0 also shows an approximately linear correlation to the entropy of freezing. The equilibrium interfacial free energy of strictly monodisperse charged spheres may therefore be still greater.

  7. Equilibrium fluid-crystal interfacial free energy of bcc-crystallizing aqueous suspensions of polydisperse charged spheres.

    PubMed

    Palberg, Thomas; Wette, Patrick; Herlach, Dieter M

    2016-02-01

    The interfacial free energy is a central quantity in crystallization from the metastable melt. In suspensions of charged colloidal spheres, nucleation and growth kinetics can be accurately measured from optical experiments. In previous work, from these data effective nonequilibrium values for the interfacial free energy between the emerging bcc nuclei and the adjacent melt in dependence on the chemical potential difference between melt phase and crystal phase were derived using classical nucleation theory (CNT). A strictly linear increase of the interfacial free energy was observed as a function of increased metastability. Here, we further analyze these data for five aqueous suspensions of charged spheres and one binary mixture. We utilize a simple extrapolation scheme and interpret our findings in view of Turnbull's empirical rule. This enables us to present the first systematic experimental estimates for a reduced interfacial free energy, σ(0,bcc), between the bcc-crystal phase and the coexisting equilibrium fluid. Values obtained for σ(0,bcc) are on the order of a few k(B)T. Their values are not correlated to any of the electrostatic interaction parameters but rather show a systematic decrease with increasing size polydispersity and a lower value for the mixture as compared to the pure components. At the same time, σ(0) also shows an approximately linear correlation to the entropy of freezing. The equilibrium interfacial free energy of strictly monodisperse charged spheres may therefore be still greater.

  8. Quantum dynamics of charge state in silicon field evaporation

    NASA Astrophysics Data System (ADS)

    Silaeva, Elena P.; Uchida, Kazuki; Watanabe, Kazuyuki

    2016-08-01

    The charge state of an ion field-evaporating from a silicon-atom cluster is analyzed using time-dependent density functional theory coupled to molecular dynamics. The final charge state of the ion is shown to increase gradually with increasing external electrostatic field in agreement with the average charge state of silicon ions detected experimentally. When field evaporation is triggered by laser-induced electronic excitations the charge state also increases with increasing intensity of the laser pulse. At the evaporation threshold, the charge state of the evaporating ion does not depend on the electrostatic field due to the strong contribution of laser excitations to the ionization process both at low and high laser energies. A neutral silicon atom escaping the cluster due to its high initial kinetic energy is shown to be eventually ionized by external electrostatic field.

  9. Charge state evolution of 2 MeV/u sulfur ion passing through thin carbon foil

    NASA Astrophysics Data System (ADS)

    Imai, M.; Sataka, M.; Kawatsura, K.; Takahiro, K.; Komaki, K.; Shibata, H.; Sugai, H.; Nishio, K.

    2007-03-01

    Charge state distribution and its evolution for 2.0 MeV/u sulfur ions after passing through 0.9, 1.1, 1.5, 2.0, 3.0, 4.7, 6.9 and 10 μg/cm2 carbon foils have been extensively studied following our previous paper [M. Imai, M. Sataka, K. Kawatsura, K. Takahiro, K. Komaki, H. Shibata, H. Sugai, K. Nishio, Nucl. Instr. and Meth. B 230 (2005) 63] to derive data for all the initial charge states between 6+ and 14+. Measured charge state distributions, their mean charge states and distribution widths do not flat off to establish equilibrium within the measured target thickness, and an overshooting feature of the distribution width for S6+ projectile is observed around 1 μg/cm2 in the target thickness. Two kinds of calculations, one based on rate equations accounting only for single charge transfer and the other applying ETACHA code, show good agreements with the experimental evolutions of mean charge and distribution width.

  10. Imaging the equilibrium state and magnetization dynamics of partially built hard disk write heads

    SciTech Connect

    Valkass, R. A. J. Yu, W.; Shelford, L. R.; Keatley, P. S.; Loughran, T. H. J.; Hicken, R. J.; Cavill, S. A.; Laan, G. van der; Dhesi, S. S.; Bashir, M. A.; Gubbins, M. A.; Czoschke, P. J.; Lopusnik, R.

    2015-06-08

    Four different designs of partially built hard disk write heads with a yoke comprising four repeats of NiFe (1 nm)/CoFe (50 nm) were studied by both x-ray photoemission electron microscopy (XPEEM) and time-resolved scanning Kerr microscopy (TRSKM). These techniques were used to investigate the static equilibrium domain configuration and the magnetodynamic response across the entire structure, respectively. Simulations and previous TRSKM studies have made proposals for the equilibrium domain configuration of similar structures, but no direct observation of the equilibrium state of the writers has yet been made. In this study, static XPEEM images of the equilibrium state of writer structures were acquired using x-ray magnetic circular dichroism as the contrast mechanism. These images suggest that the crystalline anisotropy dominates the equilibrium state domain configuration, but competition with shape anisotropy ultimately determines the stability of the equilibrium state. Dynamic TRSKM images were acquired from nominally identical devices. These images suggest that a longer confluence region may hinder flux conduction from the yoke into the pole tip: the shorter confluence region exhibits clear flux beaming along the symmetry axis, whereas the longer confluence region causes flux to conduct along one edge of the writer. The observed variations in dynamic response agree well with the differences in the equilibrium magnetization configuration visible in the XPEEM images, confirming that minor variations in the geometric design of the writer structure can have significant effects on the process of flux beaming.

  11. Charge-displacement analysis for excited states

    SciTech Connect

    Ronca, Enrico Tarantelli, Francesco; Pastore, Mariachiara Belpassi, Leonardo; De Angelis, Filippo; Angeli, Celestino; Cimiraglia, Renzo

    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.

  12. Charge state hysteresis in semiconductor quantum dots

    SciTech Connect

    Yang, C. H.; Rossi, A. Lai, N. S.; Leon, R.; Lim, W. H.; Dzurak, A. S.

    2014-11-03

    Semiconductor quantum dots provide a two-dimensional analogy for real atoms and show promise for the implementation of scalable quantum computers. Here, we investigate the charge configurations in a silicon metal-oxide-semiconductor double quantum dot tunnel coupled to a single reservoir of electrons. By operating the system in the few-electron regime, the stability diagram shows hysteretic tunnelling events that depend on the history of the dots charge occupancy. We present a model which accounts for the observed hysteretic behaviour by extending the established description for transport in double dots coupled to two reservoirs. We demonstrate that this type of device operates like a single-electron memory latch.

  13. Coulometer battery state-of-charge indicator

    NASA Technical Reports Server (NTRS)

    Birchenough, A. G.; Secunde, R.

    1970-01-01

    Mercury-column electrochemical coulometer is a linear ampere-hour integrating device consisting of a sealed glass tube containing two columns of mercury separated by a gap containing an electrolyte. The drive circuit uses operational amplifier techniques to match nonlinear charge-discharge characteristics of an alkaline battery.

  14. Turbulence Modeling Effects on the Prediction of Equilibrium States of Buoyant Shear Flows

    NASA Technical Reports Server (NTRS)

    Zhao, C. Y.; So, R. M. C.; Gatski, T. B.

    2001-01-01

    The effects of turbulence modeling on the prediction of equilibrium states of turbulent buoyant shear flows were investigated. The velocity field models used include a two-equation closure, a Reynolds-stress closure assuming two different pressure-strain models and three different dissipation rate tensor models. As for the thermal field closure models, two different pressure-scrambling models and nine different temperature variance dissipation rate, Epsilon(0) equations were considered. The emphasis of this paper is focused on the effects of the Epsilon(0)-equation, of the dissipation rate models, of the pressure-strain models and of the pressure-scrambling models on the prediction of the approach to equilibrium turbulence. Equilibrium turbulence is defined by the time rate (if change of the scaled Reynolds stress anisotropic tensor and heat flux vector becoming zero. These conditions lead to the equilibrium state parameters. Calculations show that the Epsilon(0)-equation has a significant effect on the prediction of the approach to equilibrium turbulence. For a particular Epsilon(0)-equation, all velocity closure models considered give an equilibrium state if anisotropic dissipation is accounted for in one form or another in the dissipation rate tensor or in the Epsilon(0)-equation. It is further found that the models considered for the pressure-strain tensor and the pressure-scrambling vector have little or no effect on the prediction of the approach to equilibrium turbulence.

  15. Quenching of antihydrogen gravitational states by surface charges

    NASA Astrophysics Data System (ADS)

    Voronin, A. Yu; Kupriyanova, E. A.; Lambrecht, A.; Nesvizhevsky, V. V.; Reynaud, S.

    2016-10-01

    We study the effect of the quenching of antihydrogen quantum states near the surface of a material in the Earth's gravitational field by local charges randomly distributed along a mirror surface. The quenching reduces the probability of quantum reflection because of the additional atom-charge interaction, and thus the nonadiabatic transitions to excited gravitational states. Our approach is suitable when accounting for quenching caused by any kind of additional interaction with a characteristic range much smaller than the typical gravitational state wavelength.

  16. The ECRIS charge state breeding project at TRIUMF.

    PubMed

    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.

  17. Wannier function analysis of charge states in transition metal oxides

    NASA Astrophysics Data System (ADS)

    Quan, Yundi; Pickett, Warren

    2015-03-01

    The charge (or oxidation) state of a cation has been a crucial concept in analyzing the electronic and magnetic properties of oxides as well as interpreting ``charge ordering'' metal-insulator transitions. In recent years a few methods have been proposed for the objective identification of charge states, beyond the conventional (and occasionally subjective) use of projected densities of states, weighted band structures (fatbands), and Born effective charges. In the past two decades Wannier functions (WFs) and particularly maximally localized WFs (MLWFs), have become an indispensable tool for several different purposes in electronic structure studies. These developments have motivated us to explore the charge state picture from the perspective of MLWFs. We will illustrate with a few transition metal oxide examples such as AgO and YNiO3 that the shape, extent, and location of the charge centers of the MLWFs provide insights into how cation-oxygen hybridization determines chemical bonding, charge distribution, and ``charge ordering.'' DOE DE-FG02-04ER46111.

  18. Periodic ground state for the charged massive Schwinger model

    SciTech Connect

    Nagy, S.; Sailer, K.; Polonyi, J.

    2004-11-15

    It is shown that the charged massive Schwinger model supports a periodic vacuum structure for arbitrary charge density, similar to the common crystalline layout known in solid state physics. The dynamical origin of the inhomogeneity is identified in the framework of the bosonized model and in terms of the original fermionic variables.

  19. Beam charge and current neutralization of high-charge-state heavy ions

    SciTech Connect

    Logan, B.G.; Callahan, D.A.

    1997-10-29

    High-charge-state heavy-ions may reduce the accelerator voltage and cost of heavy-ion inertial fusion drivers, if ways can be found to neutralize the space charge of the highly charged beam ions as they are focused to a target in a fusion chamber. Using 2-D Particle-In- Cell simulations, we have evaluated the effectiveness of two different methods of beam neutralization: (1) by redistribution of beam charge in a larger diameter, preformed plasma in the chamber, and (2), by introducing a cold-electron-emitting source within the beam channel at the beam entrance into the chamber. We find the latter method to be much more effective for high-charge-state ions.

  20. Resource theory of quantum states out of thermal equilibrium.

    PubMed

    Brandão, Fernando G S L; Horodecki, Michał; Oppenheim, Jonathan; Renes, Joseph M; Spekkens, Robert W

    2013-12-20

    The ideas of thermodynamics have proved fruitful in the setting of quantum information theory, in particular the notion that when the allowed transformations of a system are restricted, certain states of the system become useful resources with which one can prepare previously inaccessible states. The theory of entanglement is perhaps the best-known and most well-understood resource theory in this sense. Here, we return to the basic questions of thermodynamics using the formalism of resource theories developed in quantum information theory and show that the free energy of thermodynamics emerges naturally from the resource theory of energy-preserving transformations. Specifically, the free energy quantifies the amount of useful work which can be extracted from asymptotically many copies of a quantum system when using only reversible energy-preserving transformations and a thermal bath at fixed temperature. The free energy also quantifies the rate at which resource states can be reversibly interconverted asymptotically, provided that a sublinear amount of coherent superposition over energy levels is available, a situation analogous to the sublinear amount of classical communication required for entanglement dilution.

  1. The equation of state and ionization equilibrium of dense aluminum plasma with conductivity verification

    SciTech Connect

    Wang, Kun; Shi, Zongqian; Shi, Yuanjie; Bai, Jun; Wu, Jian; Jia, Shenli

    2015-06-15

    The equation of state, ionization equilibrium, and conductivity are the most important parameters for investigation of dense plasma. The equation of state is calculated with the non-ideal effects taken into consideration. The electron chemical potential and pressure, which are commonly used thermodynamic quantities, are calculated by the non-ideal free energy and compared with results of a semi-empirical equation of state based on Thomas-Fermi-Kirzhnits model. The lowering of ionization potential, which is a crucial factor in the calculation of non-ideal Saha equation, is settled according to the non-ideal free energy. The full coupled non-ideal Saha equation is applied to describe the ionization equilibrium of dense plasma. The conductivity calculated by the Lee-More-Desjarlais model combined with non-ideal Saha equation is compared with experimental data. It provides a possible approach to verify the accuracy of the equation of state and ionization equilibrium.

  2. Ion-Ion Reactions with Fixed-Charge Modified Proteins to Produce Ions in a Single, Very High Charge State.

    PubMed

    Frey, Brian L; Krusemark, Casey J; Ledvina, Aaron R; Coon, Joshua J; Belshaw, Peter J; Smith, Lloyd M

    2008-10-01

    Electrospray ionization (ESI) of denatured proteins produces a mass spectrum with a broad distribution of multiply charged ions. Attaching fixed positive charges, specifically quaternary ammonium groups, to proteins at their carboxylic acid groups generates substantially higher charge states compared to the corresponding unmodified proteins in positive-mode ESI. Ion-ion reactions of these modified proteins with reagent anions leads to charge reduction by proton transfer. These proton transfer reactions cannot remove charge from the quaternary ammonium groups, which do not have a proton to transfer to the anion. Thus, one might expect charge reduction to stop at a single charge state equal to the number of fixed charges on the modified protein. However, ion-ion reactions yield charge states lower than this number of fixed charges due to anion attachment (adduction) to the proteins. Charge reduction via ion-molecule reactions involving gas-phase bases also give adducts on the modified protein ions in low charge states. Such adducts are avoided by keeping the ions in charge states well above the number of fixed charges. In the present work protein ions were selectively "parked" within an ion trap mass spectrometer in a high charge state by mild radiofrequency excitation that dramatically slows their ion-ion reaction rate-a technique termed "ion parking". The combination of ion parking with the fixed-charge modified proteins permits generation of a large population of ions in a single, very high charge state.

  3. Ion-Ion Reactions with Fixed-Charge Modified Proteins to Produce Ions in a Single, Very High Charge State

    PubMed Central

    Frey, Brian L.; Krusemark, Casey J.; Ledvina, Aaron R.; Coon, Joshua J.; Belshaw, Peter J.

    2008-01-01

    Electrospray ionization (ESI) of denatured proteins produces a mass spectrum with a broad distribution of multiply charged ions. Attaching fixed positive charges, specifically quaternary ammonium groups, to proteins at their carboxylic acid groups generates substantially higher charge states compared to the corresponding unmodified proteins in positive-mode ESI. Ion-ion reactions of these modified proteins with reagent anions leads to charge reduction by proton transfer. These proton transfer reactions cannot remove charge from the quaternary ammonium groups, which do not have a proton to transfer to the anion. Thus, one might expect charge reduction to stop at a single charge state equal to the number of fixed charges on the modified protein. However, ion-ion reactions yield charge states lower than this number of fixed charges due to anion attachment (adduction) to the proteins. Charge reduction via ion-molecule reactions involving gas-phase bases also give adducts on the modified protein ions in low charge states. Such adducts are avoided by keeping the ions in charge states well above the number of fixed charges. In the present work protein ions were selectively “parked” within an ion trap mass spectrometer in a high charge state by mild radiofrequency excitation that dramatically slows their ion-ion reaction rate—a technique termed “ion parking”. The combination of ion parking with the fixed-charge modified proteins permits generation of a large population of ions in a single, very high charge state. PMID:19802328

  4. Theory of non-equilibrium critical phenomena in three-dimensional condensed systems of charged mobile nanoparticles.

    PubMed

    Kuzovkov, V N; Zvejnieks, G; Kotomin, E A

    2014-07-21

    A study of 3d electrostatic self-assembly (SA) in systems of charged nanoparticles (NPs) is one of the most difficult theoretical problems. In particular, the limiting case of negligible or very low polar media (e.g. salt) concentration, where the long-range NP interactions cannot be reduced to commonly used effective short-range (Yukawa) potentials, remains unstudied. Moreover, the present study has demonstrated that unlike the Debye-Hückel theory, a complete screening of the charges in SA kinetics (dynamic SA) is not always possible. Generally speaking, one has to take into account implicitly how each NP interacts with all other NPs (the true long-range interactions). Traditional theoretical methods allow us to monitor such electrostatic 3d system kinetics only for very short times, which is far from sufficient for understanding the dynamic SA. In this paper, combining an integrated analytical approach (the non-linear integro-differential kinetic equation for correlation functions) and reverse Monte Carlo in the 3d case, we have obtained a self-consistent solution of this challenging problem. We demonstrate, in particular, the existence of critical points and critical phenomena in the non-equilibrium kinetics in a 3d system of oppositely charged mobile NPs.

  5. State-to-state modeling of non equilibrium low-temperature atomic plasmas

    NASA Astrophysics Data System (ADS)

    Bultel, Arnaud; Morel, Vincent; Annaloro, Julien; Druguet, Marie-Claude

    2017-03-01

    The most relevant approach leading to a thorough understanding of the behavior of non equilibrium atomic plasmas is to elaborate state-to-state models in which the mass conservation equation is applied directly to atoms or ions on their excited states. The present communication reports the elaboration of such models and the results obtained. Two situations close to each other are considered. First, the plasmas produced behind shock fronts obtained in ground test facilities (shock tubes) or during planetary atmospheric entries of spacecrafts are discussed. We focused our attention on the nitrogen case for which a complete implementation of the CoRaM-N2 collisional-radiative model has been performed in a steady one-dimensional computation code based on the Rankine-Hugoniot assumptions. Second, the plasmas produced by the interaction between an ultra short laser pulse and a tungsten sample are discussed in the framework of the elaboration of the Laser-Induced Breakdown Spectroscopy (LIBS) technique. In the present case, tungsten has been chosen in the purpose of validating an in situ experimental method able to provide the elemental composition of the divertor wall of a tokamak like WEST or ITER undergoing high energetic deuterium and tritium nuclei fluxes.

  6. Equilibrium state of a cylindrical particle with flat ends in nematic liquid crystals.

    PubMed

    Hashemi, S Masoomeh; Ejtehadi, Mohammad Reza

    2015-01-01

    A continuum theory is employed to numerically study the equilibrium orientation and defect structures of a circular cylindrical particle with flat ends under a homeotropic anchoring condition in a uniform nematic medium. Different aspect ratios of this colloidal geometry from thin discotic to long rodlike shapes and several colloidal length scales ranging from mesoscale to nanoscale are investigated. We show that the equilibrium state of this colloidal geometry is sensitive to the two geometrical parameters: aspect ratio and length scale of the particle. For a large enough mesoscopic particle, there is a specific asymptotic equilibrium angle associated to each aspect ratio. Upon reducing the particle size to nanoscale, the equilibrium angle follows a descending or ascending trend in such a way that the equilibrium angle of a particle with the aspect ratio bigger than 1:1 (a discotic particle) goes to a parallel alignment with respect to the far-field nematic, whereas the equilibrium angle for a particle with the aspect ratio 1:1 and smaller (a rodlike particle) tends toward a perpendicular alignment to the uniform nematic direction. The discrepancy between the equilibrium angles of the mesoscopic and nanoscopic particles originates from the significant differences between their defect structures. The possible defect structures related to mesoscopic and nanoscopic colloidal particles of this geometry are also introduced.

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

    PubMed

    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.

  8. A non-equilibrium state diagram for liquid/fluid/particle mixtures.

    PubMed

    Velankar, Sachin S

    2015-11-21

    The equilibrium structures of ternary oil/water/surfactant systems are often represented within a triangular composition diagram with various regions of the triangle corresponding to different equilibrium states. We transplant this idea to ternary liquid/fluid/particle systems that are far from equilibrium. Liquid/liquid/particle mixtures or liquid/gas/particle mixtures yield a wide diversity of morphologies including Pickering emulsions, bijels, pendular aggregates, spherical agglomerates, capillary suspensions, liquid marbles, powdered liquids, and particle-stabilized foams. This paper argues that such ternary liquid/fluid/particle mixtures can be unified into a non-equilibrium state diagram. What is common among all these systems is that the morphology results from an interplay between the preferential wettability of the particles, capillarity, and viscous forces encountered during mixing. Therefore all such systems share certain universal features, regardless of the details of the particles or fluids used. These features guide the construction of a non-equilibrium state diagram which takes the form of a triangular prism, where each triangular cross-section of the prism corresponds to a different relative affinity of the particles towards the two fluids. We classify the prism into regions in which the various morphologies appear and also emphasize the major difference between systems in which the particles are fully-wetted by one of the fluids vs. partially-wetted by both fluids. We also discuss how the state diagram may change with mixing intensity or with interparticle attractions.

  9. Increasing Protein Charge State When Using Laser Electrospray Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Karki, Santosh; Flanigan, Paul M.; Perez, Johnny J.; Archer, Jieutonne J.; Levis, Robert J.

    2015-05-01

    Femtosecond (fs) laser vaporization is used to transfer cytochrome c, myoglobin, lysozyme, and ubiquitin from the condensed phase into an electrospray (ES) plume consisting of a mixture of a supercharging reagent, m-nitrobenzyl alcohol ( m-NBA), and trifluoroacetic acid (TFA), acetic acid (AA), or formic acid (FA). Interaction of acid-sensitive proteins like cytochrome c and myoglobin with the highly charged ES droplets resulted in a shift to higher charge states in comparison with acid-stable proteins like lysozyme and ubiquitin. Laser electrospray mass spectrometry (LEMS) measurements showed an increase in both the average charge states (Zavg) and the charge state with maximum intensity (Zmode) for acid-sensitive proteins compared with conventional electrospray ionization mass spectrometry (ESI-MS) under equivalent solvent conditions. A marked increase in ion abundance of higher charge states was observed for LEMS in comparison with conventional electrospray for cytochrome c (ranging from 19+ to 21+ versus 13+ to 16+) and myoglobin (ranging from 19+ to 26+ versus 18+ to 21+) using an ES solution containing m-NBA and TFA. LEMS measurements as a function of electrospray flow rate yielded increasing charge states with decreasing flow rates for cytochrome c and myoglobin.

  10. Equilibrium excited state and emission spectra of molecular aggregates from the hierarchical equations of motion approach.

    PubMed

    Jing, Yuanyuan; Chen, Liping; Bai, Shuming; Shi, Qiang

    2013-01-28

    The hierarchical equations of motion (HEOM) method was applied to calculate the emission spectra of molecular aggregates using the Frenkel exciton model. HEOM equations for the one-exciton excited state were first propagated until equilibration. The reduced density operator and auxiliary density operators (ADOs) were used to characterize the coupled system-bath equilibrium. The dipole-dipole correlation functions were then calculated to obtain the emission spectra of model dimers, and the B850 band of light-harvesting complex II (LH2) in purple bacteria. The effect of static disorder on equilibrium excited state and the emission spectra of LH2 was also explicitly considered. Several approximation schemes, including the high temperature approximation (HTA) of the HEOM, a modified version of the HTA, the stochastic Liouville equation approach, the perturbative time-local and time-nonlocal generalized quantum master equations, were assessed in the calculation of the equilibrium excited state and emission spectra.

  11. K-alpha X-rays from cosmic ray oxygen. [Detection and calculation of equilibrium charge fractions

    NASA Technical Reports Server (NTRS)

    Pravdo, S. H.; Boldt, E. A.

    1975-01-01

    Equilibrium charge fractions are calculated for subrelativistic cosmic ray oxygen ions in the interstellar medium. These are used to determine the expected flux of K-alpha rays arising from atomic processes for a number of different postulated interstellar oxygen spectra. Relating these results to the diffuse X-ray background measured at the appropriate energy level suggests an observable line feature. If the flux of low energy cosmic ray oxygen is sufficiently large, K-alpha X-ray line emission from these nuclei will comprise a significant fraction of the total diffuse flux at approximately 0.6 keV. A satellite borne detector with a resolution greater than 30 percent could observe this feature if the subrelativistic interstellar cosmic ray oxygen spectrum is as large as certain theoretical estimates expressed in the text.

  12. Thermal equilibrium/disequilibrium features in the excited-state temperature of atomic helium in MAP-II divertor simulator

    NASA Astrophysics Data System (ADS)

    Kado, S.

    2015-08-01

    Doppler-Stark spectrometry and laser Thomson scattering diagnostics for helium plasmas were applied to the MAP-II (material and plasma) steady-state linear divertor simulator at the University of Tokyo. In recombining plasmas, as the volumetric recombination proceeded, atomic, ionic and electron temperatures converged to the same values, which indicated the achievement of thermal equilibrium. On the other hand, in ionizing plasmas, in addition to the collisional heating of bulk atoms, excess heating of atoms in the high principal quantum number states (above Griem's boundary) was observed. This disequilibrium feature can be attributed to the presence of two prevailing conditions: that the characteristic time of the charge-exchange process of the atoms with ions in the system became shorter than the lifetime of the excited atoms spent above Griem's boundary, and that the population influx from above Griem's boundary is considerably larger than that from below the boundary.

  13. Interfacial Charge Transfer States in Condensed Phase Systems

    NASA Astrophysics Data System (ADS)

    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.

  14. Photo-Auger-ionization and charge-state distribution

    NASA Astrophysics Data System (ADS)

    Omar, Gaber; Hahn, Yukap

    1991-07-01

    The radiative and Auger emissions in cascade (RAC) model constructed earlier [G. Omar and Y. Hahn, Phys. Rev. A (to be published)] is applied to the calculation of the final-charge-state distribution in the decay of Ar+(1s¯) with an initial 1s hole created by synchrotron irradiation. Experimental data of Church et al. [Phys. Rev. A 36, 2487 (1987)] are reasonably well reproduced, including the observed asymmetry in the final-state charge distribution. In addition to Ar+(1s¯), we have also considered the decay of the initial states Ar+(2s¯), Ar+(2p¯), and Ar(1s¯,4p). The higher charge states are underestimated by the RAC model, presumably due to the neglect of correlated multielectron processes in the present calculation.

  15. Intramolecular Charge Transfer States in the Condensed Phase

    NASA Astrophysics Data System (ADS)

    Williams, C. F.; Herbert, J. M.

    2009-06-01

    Time-Dependent Density Functional Theory (TDDFT) with long range corrected functionals can give accurate results for the energies of electronically excited states involving Intramolecular Charge Transfer (ICT) in large molecules. If this is combined with a Molecular Mechanics (MM) representation of the surrounding solvent this technique can be used to interpret the results of condensed phase UV-Vis Spectroscopy. Often the MM region is represented by a set of point charges, however this means that the solvent cannot repolarize to adapt to the new charge distribution as a result of ICT and so the excitation energies to ICT states are overestimated. To solve this problem an algorithm that interfaces TDDFT with the polarizable force-field AMOEBA is presented; the effect of solvation on charge transfer in species such as 4,4'dimethylaminobenzonitrile (DMABN) is discussed. M.A. Rohrdanz, K.M. Martins, and J.M. Herbert, J. Chem. Phys. 130 034107 (2008).

  16. Dynamical Detailed Balance and Local Kms Condition for Non-Equilibrium States

    NASA Astrophysics Data System (ADS)

    Accardi, Luigi; Imafuku, Kentaro

    The principle of detailed balance is at the basis of equilibrium physics and is equivalent to the Kubo-Martin-Schwinger (KMS) condition (under quite general assumptions). In the present paper we prove that a large class of non-equilibrium quantum systems satisfies a dynamical generalization of the detailed balance condition (dynamical detailed balance) expressing the fact that all the micro-currents, associated to the Bohr frequencies are constant. The usual (equilibrium) detailed balance condition is characterized by the property that this constant is identically zero. From this we deduce a simple and experimentally measurable relation expressing the microcurrent associated to a transition between two levels ɛm→ɛn as a linear combination of the occupation probabilities of the two levels, with coefficients given by the generalized susceptivities (transport coefficients). We then give a second characterization of the dynamical detailed balance condition using a master equation rather than the microcurrents. Finally we show that these two conditions are equivalent to a "local" generalization of the usual KMS condition. Summing up: rather than postulating some ansatz on the basis of phenomenological models or of numerical simulations, we deduce, directly in the quantum domain and from fundamental principles, some natural and simple non equilibrium generalizations of the three main characterizations of equilibrium states. Then we prove that these three, apparently very far, conditions are equivalent. These facts support our convinction that these three equivalent conditions capture a universal aspect of non equilibrium phenomena.

  17. Elastic modulus and equilibrium swelling of networks crosslinked by end-linking oligodimethylsiloxane at solution state

    NASA Astrophysics Data System (ADS)

    Urayama, Kenji; Kawamura, Takanobu; Kohjiya, Shinzo

    1996-09-01

    We have investigated the degree of equilibrium swelling and the elastic modulus of networks prepared by end-linking oligo(dimethylsiloxane)s (ODMS) in solution as a function of polymer concentration at crosslinking. The molecular weight of ODMS is so low that entanglement couplings are not formed in uncrosslinked state. It has been found from the preparation concentration dependence of elastic modulus in preparation state that trapped entanglements are formed by the introduction of crosslinks, and those considerably contribute to elastic modulus, even if the prepolymers are not entangled in uncrosslinked state. The experimental results for preparation concentration dependence of the degree of equilibrium swelling and the elastic modulus of equilibrium swollen networks are compared with the theoretical predictions by the two theories, i.e., the affine model and the c* theorem. It has been clearly shown that the affine model describes well the experimental results, while the discrepancies between the experimental results and the predictions by the c* theorem are considerable. These results strongly suggest that preparation concentration should be regarded as a reference state, and the displacement of crosslinks moves affinely on swelling, while the complete disinterpenetration of network chains in equilibrium swollen state, which is a postulate of the c* theorem, does not occur.

  18. Iron charge states observed in the solar wind

    NASA Technical Reports Server (NTRS)

    Ipavich, F. M.; Galvin, A. B.; Gloeckler, G.; Hovestadt, D.; Klecker, B.; Scholer, M.

    1983-01-01

    Solar wind measurements from the ULECA sensor of the Max-Planck-Institut/University of Maryland experiment on ISEE-3 are reported. The low energy section of approx the ULECA sensor selects particles by their energy per charge (over the range 3.6 keV/Q to 30 keV/Q) and simultaneously measures their total energy with two low-noise solid state detectors. Solar wind Fe charge state measurements from three time periods of high speed solar wind occurring during a post-shock flow and a coronal hole-associated high speed stream are presented. Analysis of the post-shock flow solar wind indicates the charge state distributions for Fe were peaked at approx +16, indicative of an unusually high coronal temperature (3,000,000 K). In contrast, the Fe charge state distribution observed in a coronal hole-associated high speed stream peaks at approx -9, indicating a much lower coronal temperature (1,400,000 K). This constitutes the first reported measurements of iron charge states in a coronal hole-associated high speed stream.

  19. Application of the Gallavotti-Cohen fluctuation relation to thermostated steady states near equilibrium.

    PubMed

    Evans, Denis J; Searles, Debra J; Rondoni, Lamberto

    2005-05-01

    The fluctuation relation of the Gallavotti-Cohen fluctuation theorem (GCFT) concerns fluctuations in the phase-space compression rate of dissipative, reversible dynamical systems. It has been proven for Anosov systems, but it is expected to apply more generally. This raises the question of which non-Anosov systems satisfy the fluctuation relation. We analyze time-dependent fluctuations in the phase space compression rate of a class of N-particle systems that are at equilibrium or in near equilibrium steady states. This class does not include Anosov systems or isoenergetic systems; however, it includes most steady-state systems considered in molecular-dynamics simulations of realistic systems. We argue that the fluctuations of the phase-space compression rate of these systems at or near equilibrium do not satisfy the fluctuation relation of the GCFT, although the discrepancies become somewhat smaller as the systems move further from equilibrium. In contrast, similar fluctuation relations for an appropriately defined dissipation function appear to hold both near and far from equilibrium.

  20. Application of the Gallavotti-Cohen fluctuation relation to thermostated steady states near equilibrium

    NASA Astrophysics Data System (ADS)

    Evans, Denis J.; Searles, Debra J.; Rondoni, Lamberto

    2005-05-01

    The fluctuation relation of the Gallavotti-Cohen fluctuation theorem (GCFT) concerns fluctuations in the phase-space compression rate of dissipative, reversible dynamical systems. It has been proven for Anosov systems, but it is expected to apply more generally. This raises the question of which non-Anosov systems satisfy the fluctuation relation. We analyze time-dependent fluctuations in the phase space compression rate of a class of N -particle systems that are at equilibrium or in near equilibrium steady states. This class does not include Anosov systems or isoenergetic systems; however, it includes most steady-state systems considered in molecular-dynamics simulations of realistic systems. We argue that the fluctuations of the phase-space compression rate of these systems at or near equilibrium do not satisfy the fluctuation relation of the GCFT, although the discrepancies become somewhat smaller as the systems move further from equilibrium. In contrast, similar fluctuation relations for an appropriately defined dissipation function appear to hold both near and far from equilibrium.

  1. [New relations for steady-state enzyme kinetics and their application to rapid equilibrium assumption].

    PubMed

    Vrzheshch, P V

    2013-01-01

    With the use of a graph theory new relations for steady-state enzyme kinetics are derived and strictly proved for the arbitrary mechanism of an enzyme-catalysed reaction containing a reversible segment. Using these relations, a general principle for rapid equilibrium assumption is formulated and proved: the reversible bound segment can be considered as an equilibrium segment only when the values of the base trees that are not proper to this segment can be neglected (within a prescribed accuracy) in relation to the values of the base trees that belong to this segment. In contrast with the foreign base trees the base trees that are proper to the segment have the following properties: the tree that is directed to the base within this segment does not contain the edges leaving this segment; and the tree that is directed to the base outside the segment contains only one edge leaving this segment. Equilibrium variations are assessed for steady-state intermediates concentrations of the equilibrium segment, numerical expressions are obtained for the accuracy of determination of the intermediates concentrations as well as for the accuracy of determination of the rate of enzyme-catalysed reaction in case of using rapid equilibrium assumption.

  2. Zero Temperature Limits of Gibbs-Equilibrium States for Countable Alphabet Subshifts of Finite Type

    NASA Astrophysics Data System (ADS)

    Jenkinson, O.; Mauldin, R. D.; Urbański, M.

    2005-05-01

    Let Σ A be a finitely primitive subshift of finite type on a countable alphabet. For appropriate functions f:Σ A → IR, the family of Gibbs-equilibrium states (μ tf ) t⩾1 for the functions tf is shown to be tight. Any weak*-accumulation point as t→∞ is shown to be a maximizing measure for f.

  3. Measurements of charge state breeding efficiency at BNL test EBIS

    NASA Astrophysics Data System (ADS)

    Kondrashev, S.; Alessi, J. G.; Beebe, E. N.; Dickerson, C.; Ostroumov, P. N.; Pikin, A.; Savard, G.

    2011-06-01

    Charge breeding of singly charged ions is required to efficiently accelerate rare isotope ion beams for nuclear and astrophysics experiments, and to enhance the accuracy of low-energy Penning trap-assisted spectroscopy. An efficient charge breeder for the Californium Rare Isotope Breeder Upgrade (CARIBU) to the ANL Tandem Linear Accelerator System (ATLAS) facility is being developed using the BNL Test Electron Beam Ion Source (Test EBIS) as a prototype. Parameters of the CARIBU EBIS charge breeder are similar to those of the BNL Test EBIS except the electron beam current will be adjustable in the range from 1 to 2 A. The electron beam current density in the CARIBU EBIS trap will be significantly higher than in existing operational charge state breeders based on the EBIS concept. The charge state breeding efficiency is expected to be about 25% for the isotope ions extracted from the CARIBU. For the success of our EBIS project, it is essential to demonstrate high breeding efficiency at the BNL Test EBIS tuned to the regime close to the parameters of the CARIBU EBIS at ANL. The breeding efficiency optimization and measurements have been successfully carried out using a Cs + surface ionization ion source for externally pulsed injection into the BNL Test EBIS. A Cs + ion beam with a total number of ions of 5×10 8 and optimized pulse length of 70 μs has been injected into the Test EBIS and charge-bred for 5.3 ms for two different electron beam currents - 1 and 1.5 A. In these experiments we have achieved 70% injection/extraction efficiency and breeding efficiency into the most abundant charge state ˜17%.

  4. Measurements of charge state breeding efficiency at BNL test EBIS

    SciTech Connect

    Kondrashev, S.; Alessi, J.; Beebe, E.N.; Dickerson, C.; Ostroumov, P.N.; Pikin, A.; Savard, G.

    2011-04-02

    Charge breeding of singly charged ions is required to efficiently accelerate rare isotope ion beams for nuclear and astrophysics experiments, and to enhance the accuracy of low-energy Penning trap-assisted spectroscopy. An efficient charge breeder for the Californium Rare Isotope Breeder Upgrade (CARIBU) to the ANL Tandem Linear Accelerator System (ATLAS) facility is being developed using the BNL Test Electron Beam Ion Source (Test EBIS) as a prototype. Parameters of the CARIBU EBIS charge breeder are similar to those of the BNL Test EBIS except the electron beam current will be adjustable in the range from 1 to 2 {angstrom}. The electron beam current density in the CARIBU EBIS trap will be significantly higher than in existing operational charge state breeders based on the EBIS concept. The charge state breeding efficiency is expected to be about 25% for the isotope ions extracted from the CARIBU. For the success of our EBIS project, it is essential to demonstrate high breeding efficiency at the BNL Test EBIS tuned to the regime close to the parameters of the CARIBU EBIS at ANL. The breeding efficiency optimization and measurements have been successfully carried out using a Cs{sup +} surface ionization ion source for externally pulsed injection into the BNL Test EBIS. A Cs{sup +} ion beam with a total number of ions of 5 x 10{sup 8} and optimized pulse length of 70 {mu}s has been injected into the Test EBIS and charge-bred for 5.3 ms for two different electron beam currents 1 and 1.5 {angstrom}. In these experiments we have achieved 70% injection/extraction efficiency and breeding efficiency into the most abundant charge state 17%.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    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.

  7. Non-equilibrium oxidation states of zirconium during early stages of metal oxidation

    SciTech Connect

    Ma, Wen; Yildiz, Bilge; Herbert, F. William; Senanayake, Sanjaya D.

    2015-03-09

    The chemical state of Zr during the initial, self-limiting stage of oxidation on single crystal zirconium (0001), with oxide thickness on the order of 1 nm, was probed by synchrotron x-ray photoelectron spectroscopy. Quantitative analysis of the Zr 3d spectrum by the spectrum reconstruction method demonstrated the formation of Zr{sup 1+}, Zr{sup 2+}, and Zr{sup 3+} as non-equilibrium oxidation states, in addition to Zr{sup 4+} in the stoichiometric ZrO{sub 2}. This finding resolves the long-debated question of whether it is possible to form any valence states between Zr{sup 0} and Zr{sup 4+} at the metal-oxide interface. The presence of local strong electric fields and the minimization of interfacial energy are assessed and demonstrated as mechanisms that can drive the formation of these non-equilibrium valence states of Zr.

  8. Non-equilibrium oxidation states of zirconium during early stages of metal oxidation

    DOE PAGES

    Ma, Wen; Senanayake, Sanjaya D.; Herbert, F. William; ...

    2015-03-11

    The chemical state of Zr during the initial, self-limiting stage of oxidation on single crystal zirconium (0001), with oxide thickness on the order of 1 nm, was probed by synchrotron x-ray photoelectron spectroscopy. Quantitative analysis of the Zr 3d spectrum by the spectrum reconstruction method demonstrated the formation of Zr1+, Zr2+, and Zr3+ as non-equilibrium oxidation states, in addition to Zr4+ in the stoichiometric ZrO2. This finding resolves the long-debated question of whether it is possible to form any valence states between Zr0 and Zr4+ at the metal-oxide interface. As a result, the presence of local strong electric fields andmore » the minimization of interfacial energy are assessed and demonstrated as mechanisms that can drive the formation of these non-equilibrium valence states of Zr.« less

  9. Non-Equilibrium DNA Dynamics Probed by Delayed Capture and Recapture by a Solid-State Nanopore

    NASA Astrophysics Data System (ADS)

    Mihovilovic, Mirna; Teich, Erin; Hagerty, Nicholas; Stein, Derek

    2012-02-01

    We studied the relaxation of λ-DNA following its translocation through a voltage-biased solid-state nanopore. The translocation process drives DNA into a non-equilibrium state because the ˜2 ms translocation time is roughly fifty times shorter that the polymer's characteristic (Zimm) relaxation time. By reversing the applied voltage at controlled delay times after a translocation event, the nanopore probed the configurations of recaptured molecules at various stages of relaxation. We monitored the disruptions of the ionic current through the nanopore and computed the integrated charge deficits (ECDs) resulting from DNA translocations. As the delay time between voltage reversals was decreased from 50 ms to 5 ms, the distribution of ECDs shifted to lower values. Furthermore, an increasing fraction of recapture events occurred in a shorter interval from the voltage reversal than the delay time. These observations are explained by the expansion of the DNA coil as it approaches equilibrium. Finally, we show that recapturing a molecule multiple times and averaging the ECDs reduces the measurement error, which is useful for molecular diagnostic applications. The variance decreases approximately as the inverse number of passes through the pore.

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

    NASA Astrophysics Data System (ADS)

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

    2017-01-01

    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.

  11. Charge state defect engineering of silicon during ion implantation

    SciTech Connect

    Brown, R.A.; Ravi, J.; Erokhin, Y.; Rozgonyi, G.A.; White, C.W.

    1997-01-01

    Effects of in situ interventions which alter defect interactions during implantation, and thereby affect the final damage state, have been investigated. Specifically, we examined effects of internal electric fields and charge carrier injection on damage accumulation in Si. First, we implanted H or He ions into diode structures which were either reverse or forward biased during implantation. Second, we implanted B or Si ions into plain Si wafers while illuminating them with UV light. In each case, the overall effect is one of damage reduction. Both the electric field and charge carrier injection effects may be understood as resulting from changes in defect interactions caused in part by changes to the charge state of defects formed during implantation.

  12. A computer simulation using spreadsheets for learning concept of steady-state equilibrium

    NASA Astrophysics Data System (ADS)

    Sharda, Vandana; Sastri, O. S. K. S.; Bhardwaj, Jyoti; Jha, Arbind K.

    2016-03-01

    In this paper, we present a simple spreadsheet based simulation activity that can be performed by students at the undergraduate level. This simulation is implemented in free open source software (FOSS) LibreOffice Calc, which is available for both Windows and Linux platform. This activity aims at building the probability distribution for the possible macro-states of a system. This has been achieved by randomly sampling the configuration space consisting of all the possible microstates and determining the corresponding macrostate for each of the samples, which is akin to Monte-Carlo simulation. This simulation could act as a very useful tool in engaging students for learning the concepts of microstates, macrostates and steady state equilibrium, once the ideas have been introduced in the classroom. Further, the effect of the number of particles on the quality of steady state equilibrium achieved demonstrates the idea of thermodynamic limit.

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

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

    PubMed Central

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

    2016-01-01

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

  15. Radiocarbon measurement with 1 MV AMS at charge state 1+

    NASA Astrophysics Data System (ADS)

    Sung, K. H.; Hong, W.; Park, G.; Lee, J. G.

    2015-10-01

    A 1 MV AMS was installed at KIGAM (Korea Institute of Geoscience and Mineral Resources) in 2007. We usually measure 14C at charge state 2+ because beam transmission yield reaches maximum value at a terminal voltage of 950 kV. However, this condition always has the possibility of interference by Li22+ molecules. To avoid the interference, samples with high Li contents need to be measured with charge states 1+ or 3+ because lithium ions only form the even charge states. Therefore, it was necessary to investigate the operating conditions of our AMS machine with charge state 1+ or 3+. The optimized condition for 1+ measurement was found to be 500 kV for terminal voltage and 2.5 × 10-2 mbar for stripper gas pressure. After setting up operating conditions for measurement with C1+, standard (IAEA C1, C7 and C8), blank, unknown wood and charcoal samples were measured and the results were compared with those obtained with a C2+ beam. The background level was determined to be as low as 2-5 × 10-15 for 14C1+.

  16. Charge-state enhancement for radioactive beam post-acceleration

    SciTech Connect

    Nolen, J.A.; Dooling, J.

    1995-08-01

    A critical question for an ISOL-type radioactive-beam facility, such as that being discussed by the North American Isospin Laboratory Committee, is the efficiency and q/m of the ion source for the radioactive species. ISOLDE at CERN demonstrated that high efficiency is obtained for a wide variety of species in the 1{sup +} charge state. These ion sources also generally have excellent transverse emittances and low energy spreads. One possibility is to use this proven technology plus an ionizer stage to increase the output of such sources to 2, 3, or 4{sup +} with high efficiency. We are currently investigating technical options for such charge-state enhancement. There is a proposal by a Heidelberg/ISOLDE collaboration to build a {open_quotes}charge-state breeder{close_quotes} as part of an experiment called REX-ISOLDE. This concept would deliver batches of radioactive ions with low duty cycle, optimized for relatively low-intensity secondary beams, on the order of 10{sup 6}/sec. We are independently doing simulations of an alternative approach, called the Electron-Beam Charge-State Amplifier (EBQA), which would yield DC beams with improved transverse emittance and would not have the intensity limitation of the batch transfer process. The cost and efficiency of the EBQA will have to be compared with those of a normally-conducting CW RFQ followed by ion stripping, as alternatives for the first stage of a secondary ion accelerator.

  17. Markov state models from short non-equilibrium simulations—Analysis and correction of estimation bias

    NASA Astrophysics Data System (ADS)

    Nüske, Feliks; Wu, Hao; Prinz, Jan-Hendrik; Wehmeyer, Christoph; Clementi, Cecilia; Noé, Frank

    2017-03-01

    Many state-of-the-art methods for the thermodynamic and kinetic characterization of large and complex biomolecular systems by simulation rely on ensemble approaches, where data from large numbers of relatively short trajectories are integrated. In this context, Markov state models (MSMs) are extremely popular because they can be used to compute stationary quantities and long-time kinetics from ensembles of short simulations, provided that these short simulations are in "local equilibrium" within the MSM states. However, over the last 15 years since the inception of MSMs, it has been controversially discussed and not yet been answered how deviations from local equilibrium can be detected, whether these deviations induce a practical bias in MSM estimation, and how to correct for them. In this paper, we address these issues: We systematically analyze the estimation of MSMs from short non-equilibrium simulations, and we provide an expression for the error between unbiased transition probabilities and the expected estimate from many short simulations. We show that the unbiased MSM estimate can be obtained even from relatively short non-equilibrium simulations in the limit of long lag times and good discretization. Further, we exploit observable operator model (OOM) theory to derive an unbiased estimator for the MSM transition matrix that corrects for the effect of starting out of equilibrium, even when short lag times are used. Finally, we show how the OOM framework can be used to estimate the exact eigenvalues or relaxation time scales of the system without estimating an MSM transition matrix, which allows us to practically assess the discretization quality of the MSM. Applications to model systems and molecular dynamics simulation data of alanine dipeptide are included for illustration. The improved MSM estimator is implemented in PyEMMA of version 2.3.

  18. Equilibrium unfolding of Escherichia coli ribonuclease H: characterization of a partially folded state.

    PubMed Central

    Dabora, J. M.; Marqusee, S.

    1994-01-01

    We have examined the equilibrium unfolding of Escherichia coli ribonuclease HI (RNase H), a member of a family of enzymes that cleaves RNA from RNA:DNA hybrids. A completely synthetic gene was constructed that expresses a variant of the wild-type sequence with all 3 cysteines replaced with alanine. The resulting recombinant protein is active and folds reversibly. Denaturation studies monitored by circular dichroism and tryptophan fluorescence yield coincident curves that suggest the equilibrium unfolding reaction is a 2-state process. Acid denaturation, however, reveals a cooperative transition at approximately pH 1.8 to a partially folded state. This acid state can be further denatured in a reversible manner by the addition of heat or urea as monitored by either CD or tryptophan fluorescence. Analytical ultracentrifugation studies indicate that the acid state of RNase H is both compact and monomeric. Although compact, the acid state does not resemble the native protein: the acid state displays a near-UV CD spectrum similar to the unfolded state and binds to and enhances the fluorescence of the dye 1-anilinonaphthalene, 8-sulfonate much more than either the native or unfolded states. Therefore, the acid state of E. coli RNase H has the characteristics of a molten globule: it retains a high degree of secondary structure, remains compact, yet does not appear to contain a tightly packed core. PMID:7833802

  19. Are two plasma equilibrium states possible when the emission coefficient exceeds unity?

    DOE PAGES

    Campanell, Michael D.; Umansky, M. V.

    2017-02-28

    Two floating sheath solutions with strong electron emission in planar geometry have been proposed, a “space-charge limited” (SCL) sheath and an “inverse” sheath. SCL and inverse models contain different assumptions about conditions outside the sheath (e.g., the velocity of ions entering the sheath). So it is not yet clear whether both sheaths are possible in practice, or only one. Here we treat the global presheath-sheath problem for a plasma produced volumetrically between two planar walls. We show that all equilibrium requirements (a) floating condition, (b) plasma shielding, and (c) presheath force balance, can indeed be satisfied in two different waysmore » when the emission coefficient γ > 1. There is one solution with SCL sheaths and one with inverse sheaths, each with sharply different presheath distributions. As we show for the first time in 1D-1V simulations, a SCL and inverse equilibrium are both possible in plasmas with the same upstream properties (e.g., same N and Te). However, maintaining a true SCL equilibrium requires no ionization or charge exchange collisions in the sheath, or else cold ion accumulation in the SCL's “dip” forces a transition to the inverse. This suggests that only a monotonic inverse type sheath potential should exist at any plasma-facing surface with strong emission, whether be a divertor plate, emissive probe, dust grain, Hall thruster channel wall, sunlit object in space, etc. Nevertheless, SCL sheaths might still be possible if the ions in the dip can escape. Finally, our simulations demonstrate ways in which SCL and inverse regimes might be distinguished experimentally based on large-scale presheath effects, without having to probe inside the sheath.« less

  20. Emergence of equilibrium thermodynamic properties in quantum pure states. I. Theory

    SciTech Connect

    Fresch, Barbara; Moro, Giorgio J.

    2010-07-21

    Investigation on foundational aspects of quantum statistical mechanics recently entered a renaissance period due to novel intuitions from quantum information theory and to increasing attention on the dynamical aspects of single quantum systems. In the present contribution a simple but effective theoretical framework is introduced to clarify the connections between a purely mechanical description and the thermodynamic characterization of the equilibrium state of an isolated quantum system. A salient feature of our approach is the very transparent distinction between the statistical aspects and the dynamical aspects in the description of isolated quantum systems. Like in the classical statistical mechanics, the equilibrium distribution of any property is identified on the basis of the time evolution of the considered system. As a consequence equilibrium properties of quantum system appear to depend on the details of the initial state due to the abundance of constants of the motion in the Schroedinger dynamics. On the other hand the study of the probability distributions of some functions, such as the entropy or the equilibrium state of a subsystem, in statistical ensembles of pure states reveals the crucial role of typicality as the bridge between macroscopic thermodynamics and microscopic quantum dynamics. We shall consider two particular ensembles: the random pure state ensemble and the fixed expectation energy ensemble. The relation between the introduced ensembles, the properties of a given isolated system, and the standard quantum statistical description are discussed throughout the presentation. Finally we point out the conditions which should be satisfied by an ensemble in order to get meaningful thermodynamical characterization of an isolated quantum system.

  1. The kinetics of the bimolecular A+B --> 0 reaction in condensed matter: Effects of non-equilibrium charge screening

    NASA Astrophysics Data System (ADS)

    Kuzovkov, V. N.; Kotomin, E. A.; von Niessen, W.

    1996-12-01

    The kinetics of the bimolecular A+B→0 reaction between charged reactants is studied in two dimensions, i.e., on a surface. The theory is based on the Kirkwood superposition approximation for three-particle densities and the self-consistent treatment of the electrostatic interactions defined by the non-uniform spatial distribution of similar and dissimilar reactants. Special attention is paid to pattern formation and many-particle effects arising from reaction-induced formation of loose domains containing similar reactants only. It is shown that the critical exponent α characterizing the algebraic concentration decay law, n(t)∝t-α, differs strongly between symmetric (DA=DB) and asymmetric (DA=0) reactant mobilities. This effect is abnormal from the point of view of standard chemical kinetics. It arises directly from the specific spatial distribution in the system as in ``raisins A in a dough B.'' At long reaction times the asymptotics of the interaction potentials is of non-equilibrium type at large relative distances. The accumulation kinetics in the presence of a permanent source is studied. Results of the microscopic formalism are compared with a previous mesoscopic theory.

  2. Equilibrium crystal shape of BaZrO3 and space charge formation in the (011) surface by using ab-initio thermodynamics

    NASA Astrophysics Data System (ADS)

    Kim, Ji-Su; Kim, Yeong-Cheol

    2017-01-01

    We investigated the equilibrium crystal shape of BaZrO3 and the space charge formation in an O-terminated (011) surface by using ab-initio thermodynamics. Twenty-two low-indexed (001), (011), and (111) surfaces were calculated to analyze their surface Gibbs-free energy under the stable condition of BaZrO3. Based on the Gibbs-Wulff theorem, the equilibrium crystal shape of BaZrO3 changed from cubic to decaoctahedral with decreasing Ba chemical potential. The dominant facets of BaZrO3 were {001} and {011}, which were well consistent with experimental observations. The space charge formation in the (011) surface was evaluated using the space-charge model. We found that the (011) surface was even more resistive than the (001) surface.

  3. BREIT code: Analytical solution of the balance rate equations for charge-state evolutions of heavy-ion beams in matter

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  5. Numerical simulation of coupled state-to-state kinetics and heat transfer in viscous non-equilibrium flows

    NASA Astrophysics Data System (ADS)

    Kunova, O.; Kustova, E.; Mekhonoshina, M.; Shoev, G.

    2016-11-01

    The influence of vibrational-dissociation kinetics on mass and heat transfer in non-equilibrium flows of N2/N and O2/O mixtures behind shock waves is investigated on the basis of the state-to-state approach. A method of the numerical solution of coupled equations of gas dynamics and state-to-state kinetics in the commercial flow solver ANSYS Fluent is proposed. Based on the proposed numerical tool, the flows near a cone and behind a planar shock wave are studied. The calculation results are compared with available experimental data.

  6. A new climate-vegetation equilibrium state for Tropical South America

    NASA Astrophysics Data System (ADS)

    Oyama, Marcos Daisuke; Nobre, Carlos Afonso

    2003-12-01

    The existence of multiple climate-vegetation equilibria in Tropical South America is investigated under present-day climate conditions with the use of an atmospheric general circulation model coupled to a potential vegetation model. Two stable equilibria were found. One corresponds to the current biome distribution. The second is a new equilibrium state: savannas replace eastern Amazonian forests and a semi-desert area appears in the driest portion of Northeast Brazil. If sustainable development and conservation policies were not able to halt the increasing environmental degradation in those areas, then land use changes could, per se, tip the climate-vegetation system towards this new alternative drier stable equilibrium state, with savannization of parts of Amazonia and desertification of the driest area of Northeast Brazil, and with potential adverse impacts on the rich species diversity in the former region and water resources in the latter.

  7. The equilibrium state of hydrogen in gallium nitride: Theory and experiment

    SciTech Connect

    MYERS JR.,SAMUEL M.; WRIGHT,ALAN F.; PETERSEN,GARY A.; SEAGER,CARLETON H.; WAMPLER,WILLIAM R.; CRAWFORD,MARY H.; HAN,JUNG

    2000-04-17

    Formation energies and vibrational frequencies for H in wurtzite GaN were calculated from density functional theory and used to predict equilibrium state occupancies and solid solubilities for p-type, intrinsic, and n-type material. The solubility of deuterium (D) was measured at 600--800 C as a function of D{sub 2} pressure and doping and compared with theory. Agreement was obtained by reducing the H formation energies 0.2 eV from ab-initio theoretical values. The predicted stretch-mode frequency for H bound to the Mg acceptor lies 5% above an observed infrared absorption attributed to this complex. It is concluded that currently recognized H states and physical processes account for the equilibrium behavior of H examined in this work.

  8. On Nash Equilibrium and Evolutionarily Stable States That Are Not Characterised by the Folk Theorem.

    PubMed

    Li, Jiawei; Kendall, Graham

    2015-01-01

    In evolutionary game theory, evolutionarily stable states are characterised by the folk theorem because exact solutions to the replicator equation are difficult to obtain. It is generally assumed that the folk theorem, which is the fundamental theory for non-cooperative games, defines all Nash equilibria in infinitely repeated games. Here, we prove that Nash equilibria that are not characterised by the folk theorem do exist. By adopting specific reactive strategies, a group of players can be better off by coordinating their actions in repeated games. We call it a type-k equilibrium when a group of k players coordinate their actions and they have no incentive to deviate from their strategies simultaneously. The existence and stability of the type-k equilibrium in general games is discussed. This study shows that the sets of Nash equilibria and evolutionarily stable states have greater cardinality than classic game theory has predicted in many repeated games.

  9. Incorporation of a Chemical Equilibrium Equation of State into LOCI-Chem

    NASA Technical Reports Server (NTRS)

    Cox, Carey F.

    2005-01-01

    Renewed interest in development of advanced high-speed transport, reentry vehicles and propulsion systems has led to a resurgence of research into high speed aerodynamics. As this flow regime is typically dominated by hot reacting gaseous flow, efficient models for the characteristic chemical activity are necessary for accurate and cost effective analysis and design of aerodynamic vehicles that transit this regime. The LOCI-Chem code recently developed by Ed Luke at Mississippi State University for NASA/MSFC and used by NASA/MSFC and SSC represents an important step in providing an accurate, efficient computational tool for the simulation of reacting flows through the use of finite-rate kinetics [3]. Finite rate chemistry however, requires the solution of an additional N-1 species mass conservation equations with source terms involving reaction kinetics that are not fully understood. In the equilibrium limit, where the reaction rates approach infinity, these equations become very stiff. Through the use of the assumption of local chemical equilibrium the set of governing equations is reduced back to the usual gas dynamic equations, and thus requires less computation, while still allowing for the inclusion of reacting flow phenomenology. The incorporation of a chemical equilibrium equation of state module into the LOCI-Chem code was the primary objective of the current research. The major goals of the project were: (1) the development of a chemical equilibrium composition solver, and (2) the incorporation of chemical equilibrium solver into LOCI-Chem. Due to time and resource constraints, code optimization was not considered unless it was important to the proper functioning of the code.

  10. Fractional charge and spin states in topological insulator constrictions

    NASA Astrophysics Data System (ADS)

    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.

  11. Thermal Equilibrium of a Macroscopic Quantum System in a Pure State

    NASA Astrophysics Data System (ADS)

    Goldstein, Sheldon; Huse, David A.; Lebowitz, Joel L.; Tumulka, Roderich

    2015-09-01

    We consider the notion of thermal equilibrium for an individual closed macroscopic quantum system in a pure state, i.e., described by a wave function. The macroscopic properties in thermal equilibrium of such a system, determined by its wave function, must be the same as those obtained from thermodynamics, e.g., spatial uniformity of temperature and chemical potential. When this is true we say that the system is in macroscopic thermal equilibrium (MATE). Such a system may, however, not be in microscopic thermal equilibrium (MITE). The latter requires that the reduced density matrices of small subsystems be close to those obtained from the microcanonical, equivalently the canonical, ensemble for the whole system. The distinction between MITE and MATE is particularly relevant for systems with many-body localization for which the energy eigenfuctions fail to be in MITE while necessarily most of them, but not all, are in MATE. We note, however, that for generic macroscopic systems, including those with MBL, most wave functions in an energy shell are in both MATE and MITE. For a classical macroscopic system, MATE holds for most phase points on the energy surface, but MITE fails to hold for any phase point.

  12. Thermal Equilibrium of a Macroscopic Quantum System in a Pure State.

    PubMed

    Goldstein, Sheldon; Huse, David A; Lebowitz, Joel L; Tumulka, Roderich

    2015-09-04

    We consider the notion of thermal equilibrium for an individual closed macroscopic quantum system in a pure state, i.e., described by a wave function. The macroscopic properties in thermal equilibrium of such a system, determined by its wave function, must be the same as those obtained from thermodynamics, e.g., spatial uniformity of temperature and chemical potential. When this is true we say that the system is in macroscopic thermal equilibrium (MATE). Such a system may, however, not be in microscopic thermal equilibrium (MITE). The latter requires that the reduced density matrices of small subsystems be close to those obtained from the microcanonical, equivalently the canonical, ensemble for the whole system. The distinction between MITE and MATE is particularly relevant for systems with many-body localization for which the energy eigenfuctions fail to be in MITE while necessarily most of them, but not all, are in MATE. We note, however, that for generic macroscopic systems, including those with MBL, most wave functions in an energy shell are in both MATE and MITE. For a classical macroscopic system, MATE holds for most phase points on the energy surface, but MITE fails to hold for any phase point.

  13. Equilibrium points of the tilted perfect fluid Bianchi VIh state space

    NASA Astrophysics Data System (ADS)

    Apostolopoulos, Pantelis S.

    2005-05-01

    We present the full set of evolution equations for the spatially homogeneous cosmologies of type VIh filled with a tilted perfect fluid and we provide the corresponding equilibrium points of the resulting dynamical state space. It is found that only when the group parameter satisfies h > -1 a self-similar solution exists. In particular we show that for h > -{1/9} there exists a self-similar equilibrium point provided that γ ∈ ({2(3+sqrt{-h})/5+3sqrt{-h}},{3/2}) whereas for h < -{frac 19} the state parameter belongs to the interval γ ∈(1,{2(3+sqrt{-h})/5+3sqrt{-h}}). This family of new exact self-similar solutions belongs to the subclass nαα = 0 having non-zero vorticity. In both cases the equilibrium points have a six-dimensional stable manifold and may act as future attractors at least for the models satisfying nαα = 0. Also we give the exact form of the self-similar metrics in terms of the state and group parameter. As an illustrative example we provide the explicit form of the corresponding self-similar radiation model (γ = {frac 43}), parametrised by the group parameter h. Finally we show that there are no tilted self-similar models of type III and irrotational models of type VIh.

  14. Single-molecule measurement of the effective temperature in non-equilibrium steady states

    NASA Astrophysics Data System (ADS)

    Dieterich, E.; Camunas-Soler, J.; Ribezzi-Crivellari, M.; Seifert, U.; Ritort, F.

    2015-11-01

    Temperature is a well-defined quantity for systems in equilibrium. For glassy systems, it has been extended to the non-equilibrium regime, showing up as an effective quantity in a modified version of the fluctuation-dissipation theorem. However, experimental evidence supporting this definition remains scarce. Here, we present the first direct experimental demonstration of the effective temperature by measuring correlations and responses in single molecules in non-equilibrium steady states generated under external random forces. We combine experiment, analytical theory and simulations for systems with different levels of complexity, ranging from a single bead in an optical trap to two-state and multiple-state DNA hairpins. From these data, we extract a unifying picture for the existence of an effective temperature based on the relative order of various timescales characterizing intrinsic relaxation and external driving. Our study thus introduces driven small systems as a fertile ground to address fundamental concepts in statistical physics, condensed-matter physics and biophysics.

  15. Adaptive behaviour and multiple equilibrium states in a predator-prey model.

    PubMed

    Pimenov, Alexander; Kelly, Thomas C; Korobeinikov, Andrei; O'Callaghan, Michael J A; Rachinskii, Dmitrii

    2015-05-01

    There is evidence that multiple stable equilibrium states are possible in real-life ecological systems. Phenomenological mathematical models which exhibit such properties can be constructed rather straightforwardly. For instance, for a predator-prey system this result can be achieved through the use of non-monotonic functional response for the predator. However, while formal formulation of such a model is not a problem, the biological justification for such functional responses and models is usually inconclusive. In this note, we explore a conjecture that a multitude of equilibrium states can be caused by an adaptation of animal behaviour to changes of environmental conditions. In order to verify this hypothesis, we consider a simple predator-prey model, which is a straightforward extension of the classic Lotka-Volterra predator-prey model. In this model, we made an intuitively transparent assumption that the prey can change a mode of behaviour in response to the pressure of predation, choosing either "safe" of "risky" (or "business as usual") behaviour. In order to avoid a situation where one of the modes gives an absolute advantage, we introduce the concept of the "cost of a policy" into the model. A simple conceptual two-dimensional predator-prey model, which is minimal with this property, and is not relying on odd functional responses, higher dimensionality or behaviour change for the predator, exhibits two stable co-existing equilibrium states with basins of attraction separated by a separatrix of a saddle point.

  16. Conservative-variable average states for equilibrium gas multi-dimensional fluxes

    NASA Technical Reports Server (NTRS)

    Iannelli, G. S.

    1992-01-01

    Modern split component evaluations of the flux vector Jacobians are thoroughly analyzed for equilibrium-gas average-state determinations. It is shown that all such derivations satisfy a fundamental eigenvalue consistency theorem. A conservative-variable average state is then developed for arbitrary equilibrium-gas equations of state and curvilinear-coordinate fluxes. Original expressions for eigenvalues, sound speed, Mach number, and eigenvectors are then determined for a general average Jacobian, and it is shown that the average eigenvalues, Mach number, and eigenvectors may not coincide with their classical pointwise counterparts. A general equilibrium-gas equation of state is then discussed for conservative-variable computational fluid dynamics (CFD) Euler formulations. The associated derivations lead to unique compatibility relations that constrain the pressure Jacobian derivatives. Thereafter, alternative forms for the pressure variation and average sound speed are developed in terms of two average pressure Jacobian derivatives. Significantly, no additional degree of freedom exists in the determination of these two average partial derivatives of pressure. Therefore, they are simultaneously computed exactly without any auxiliary relation, hence without any geometric solution projection or arbitrary scale factors. Several alternative formulations are then compared and key differences highlighted with emphasis on the determination of the pressure variation and average sound speed. The relevant underlying assumptions are identified, including some subtle approximations that are inherently employed in published average-state procedures. Finally, a representative test case is discussed for which an intrinsically exact average state is determined. This exact state is then compared with the predictions of recent methods, and their inherent approximations are appropriately quantified.

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

    NASA Astrophysics Data System (ADS)

    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.

  18. Metastable charge-transfer state of californium(iii) compounds.

    PubMed

    Liu, Guokui; Cary, Samantha K; Albrecht-Schmitt, Thomas E

    2015-06-28

    Among a series of anomalous physical and chemical properties of Cf(iii) compounds revealed by recent investigations, the present work addresses the characteristics of the optical spectra of An(HDPA)3·H2O (An = Am, Cm, and Cf), especially the broadband photoluminescence from Cf(HDPA)3·H2O induced by ligand-to-metal charge transfer (CT). As a result of strong ion-ligand interactions and the relative ease of reducing Cf(iii) to Cf(ii), a CT transition occurs at low energy (<3 eV) via the formation of a metastable Cf(ii) state. It is shown that the systematic trend in CT transitions of the lanthanide series is not paralleled by actinide elements lighter than Cf(iii), and californium represents a turning point in the periodicity of the actinide series. Analyses and modeling of the temperature-dependent luminescence dynamics indicate that the metastable Cf(ii) charge-transfer state undergoes radiative and non-radiative relaxations. Broadening of the CT transition arises from strong vibronic coupling and hole-charge interactions in the valence band. The non-radiative relaxation of the metastable CT state results from a competition between phonon-relaxation and thermal tunneling that populates the excited states of Cf(iii).

  19. Effects of Ice Microphysics on Tropical Radiative-Convective-Oceanic Quasi-Equilibrium States.

    NASA Astrophysics Data System (ADS)

    Wu, Xiaoqing

    2002-06-01

    The effects of ice microphysics on the mean state of tropical atmosphere and ocean are quantified using a coupled cloud-ocean model. The cloud-resolving model (CRM) treats explicitly the cloud-scale dynamics instead of using parameterization as is necessary in a general circulation model (GCM). The ocean model is a one-dimensional (1D) mixed layer model with a nonlocal K-profile parameterization to represent the vertical mixing in the oceanic surface boundary layer. Two sets of 40-day simulations attain radiative-convective-oceanic quasi-equilibrium states, one is a coupled simulation, the other has a fixed sea surface temperature (SST). Each set consists of two simulations, with a larger and smaller ice fall speed, respectively.The two coupled simulations (T0C and M2C) yield dramatically different radiative-convective-oceanic quasi-equilibrium states demonstrating the profound impact of ice microphysics on the water vapor, cloud, and radiation fields. The mean SST and mixed layer depth in M2C is 0.67 K colder and 33 m deeper than those in T0C, and the net surface solar radiation in M2C is 88 W m2 smaller than that in T0C. The simulation associated with the larger ice fall speed achieves a quasi-equilibrium state characterized by a colder and drier atmosphere, less cloudiness, stronger convection and precipitation, and warmer SST. On the other hand, a quasi-equilibrium state associated with the smaller ice fall speed has a warmer and moister atmosphere, more cloudiness, weaker convection and precipitation, and colder SST. The key mechanism is cloud-radiation interaction: the more (less) cloudiness the ice microphysics produces, the weaker (stronger) the radiative cooling.The upper-ocean mixing and entrainment of the oceanic deep water play an important role in establishing the quasi-equilibrium SST. The comparison between two coupled and two fixed-SST simulations illustrates that the water vapor variation induced by the change of ice microphysics is reduced by the

  20. Thermal Effect in Lipkin Model. I --- Thermal Equilibrium State and Phase Transition ---

    NASA Astrophysics Data System (ADS)

    Kuriyama, A.; Provid234ncia, J. D.; Tsue, Y.; Yamamura, M.

    1995-12-01

    We study the thermal effect with the use of Lipkin model. We define the density and entropy operator associated with the mixed state representation of Lipkin model, which has been developed with the aid of auxiliary fermion field. We investigate the thermal equilibrium state and its phase transition. In super phase, the thermal effect breaks the particle-hole pairs with coupled angular momentum 0 and does not lift up nucleons from the lower level to upper one, contrary to the case of normal phase.

  1. Equilibrium States and Their Entropy Densities in Gauge-Invariant C*-SYSTEMS

    NASA Astrophysics Data System (ADS)

    Akiho, Nobuyuki; Hiai, Fumio; Petz, Dénes

    A gauge-invariant C*-system is obtained as the fixed point subalgebra of the infinite tensor product of full matrix algebras under the tensor product unitary action of a compact group. In this paper, thermodynamics is studied in such systems and the chemical potential theory developed by Araki, Haag, Kastler and Takesaki is used. As a generalization of quantum spin system, the equivalence of the KMS condition, the Gibbs condition and the variational principle is shown for translation-invariant states. The entropy density of extremal equilibrium states is also investigated in relation to macroscopic uniformity.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed Central

    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. PMID:28134238

  5. Operations of Majorana Bound States in Charge-qubit Arrays

    NASA Astrophysics Data System (ADS)

    Mao, Ting; Wang, Zidan

    2014-03-01

    The experimental pursuit of Majorana bound state (MBS) in one-dimensional (1D) solid state systems has been brought into the limelight since the proposal of Kitaev's toy lattice model. Here we use the inductively coupled charge-qubit array to realize a tunable Kitaev model. With the advantages of the superconducting-qubit circuit, we can manipulate the parameters of Kitaev model and change the symmetry class to which the model Hamiltonian belongs from the class D to the class BDI. We also discuss a simple class DIII model constructed by coupling two copies of the class D charge-qubit array. Using the time reversal symmetry and a residual U(1) spin rotation symmetry of the model, we explore the possibility of implementing universal single topological qubit operations.

  6. HIGH-INTENSITY, HIGH CHARGE-STATE HEAVY ION SOURCES

    SciTech Connect

    ALESSI,J.G.

    2004-08-16

    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 is reviewed. These sources include ECR, EBIS, and Laser ion sources. Benefits and limitations for these type sources are described. Possible future improvements in these sources are also mentioned.

  7. Steady State Transportation Cooling in Porous Media Under Local, Non-Thermal Equilibrium Fluid Flow

    NASA Technical Reports Server (NTRS)

    Rodriquez, Alvaro Che

    2002-01-01

    An analytical solution to the steady-state fluid temperature for 1-D (one dimensional) transpiration cooling has been derived. Transpiration cooling has potential use in the aerospace industry for protection against high heating environments for re-entry vehicles. Literature for analytical treatments of transpiration cooling has been largely confined to the assumption of thermal equilibrium between the porous matrix and fluid. In the present analysis, the fundamental fluid and matrix equations are coupled through a volumetric heat transfer coefficient and investigated in non-thermal equilibrium. The effects of varying the thermal conductivity of the solid matrix and the heat transfer coefficient are investigated. The results are also compared to existing experimental data.

  8. Turbulent relaxation and meta-stable equilibrium states of an electron plasma

    NASA Astrophysics Data System (ADS)

    Rodgers, Douglas J.

    A Malmberg-Penning electron trap allows for the experimental study of nearly ideal, two-dimensional (2D) inviscid (Euler) hydrodynamics. This is perhaps the simplest case of self organizing nonlinear turbulence, and is therefore a paradigm for dynamo theory, Taylor relaxation, selective decay and other nonlinear fluid processes. The dynamical relaxation of a pure electron plasma in the guiding-center-drift approximation is studied, comparing experiments, numerical simulations and statistical theories of weakly-dissipative 2D turbulence. The nonuniform metastable equilibrium states resulting from turbulent evolution are examined, and are well-described by a maximum entropy principle for constrained circulation, energy, and angular momentum. The turbulent decay of the system is also examined, and a similarity decay law is proposed which incorporates the substantial enstrophy trapped in the metastable equilibrium. This law approaches Batchelor's t-2 self-similar decay in the limit of strong turbulence, and is verified in turbulent evolution in the electron plasma experiment.

  9. Infinite-mode squeezed coherent states and non-equilibrium statistical mechanics (phase-space-picture approach)

    NASA Technical Reports Server (NTRS)

    Yeh, Leehwa

    1993-01-01

    The phase-space-picture approach to quantum non-equilibrium statistical mechanics via the characteristic function of infinite-mode squeezed coherent states is introduced. We use quantum Brownian motion as an example to show how this approach provides an interesting geometrical interpretation of quantum non-equilibrium phenomena.

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

    NASA Astrophysics Data System (ADS)

    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.

  11. Non-equilibrium oxidation states of zirconium during early stages of metal oxidation

    SciTech Connect

    Ma, Wen; Senanayake, Sanjaya D.; Herbert, F. William; Yildiz, Bilge

    2015-03-11

    The chemical state of Zr during the initial, self-limiting stage of oxidation on single crystal zirconium (0001), with oxide thickness on the order of 1 nm, was probed by synchrotron x-ray photoelectron spectroscopy. Quantitative analysis of the Zr 3d spectrum by the spectrum reconstruction method demonstrated the formation of Zr1+, Zr2+, and Zr3+ as non-equilibrium oxidation states, in addition to Zr4+ in the stoichiometric ZrO2. This finding resolves the long-debated question of whether it is possible to form any valence states between Zr0 and Zr4+ at the metal-oxide interface. As a result, the presence of local strong electric fields and the minimization of interfacial energy are assessed and demonstrated as mechanisms that can drive the formation of these non-equilibrium valence states of Zr.

  12. Search for the Non-Equilibrium Ionization State in Merging Galaxy Clusters

    NASA Astrophysics Data System (ADS)

    Inoue, Shota; Hayashida, Kiyoshi; Ueda, Shutaro; Nagino, Ryo; Tsunemi, Hiroshi; Koyama, Katsuji

    2015-08-01

    Galaxy clusters are considered that they have evolved by their merging. Many observations of the merging cluster with their shock wave are reported recently (e.g. Akamatsu et al. 2012, PASJ, 64, 67, Bourdin et al. 2013, ApJ, 764, 82). If the shock heats the plasma, the non-equilibrium ionization (NEI) state occurs. Even so, an intracluster medium (ICM) is assumed that it is in collisional ionization equilibrium state, because the timescale of the evolution of galaxy clusters is longer than the timescale that the NEI plasma reaches the equilibrium state. Actually, no observation of the NEI plasma in the ICM is reported. However, for the merging cluster, if its merging timescale is 108 yr, the condition of the NEI state of the ionization parameter (net <1013 s/cm3) is filled in the ICM with the electron density of ~10-3 /cm3. In fact, numerical simulation of the merging cluster shows that the NEI state in the ICM occurs due to the shock heating (e.g. Akahori & Yoshikawa 2010, PASJ, 62, 335). Our purpose is to detect the NEI plasma in the merging cluster, to estimate its timescale from the shock heating quantitatively by ionization parameter to reveal the cluster evolution.From this point, we have analyzed the ionization state of the merging cluster, Abell 754. We used the Suzaku observation data and measured the ratio of the intensities of He-like Fe and H-like Fe lines. As a result, we find that the temperature in the cluster increases from southeast to northwest along the direction of merging. Furthermore, at the specific region with highest temperature (kT = 13.3+1.41-1.14 keV), we find the plasma with ionization parameter, net = 6.98+14.57-3.92 x1011 s/cm3. Its timescale estimated by the ionization parameter is 7.7~54.4 Myr in 90% confidence level. We conclude that the plasma in this region is NEI state due to the recent shock heating. The Ionization state in the ICM can provide a physically meaningful way to estimate the phase and/or timescale of the merging

  13. Air Force Ni-H2 cell test program: State of Charge test

    NASA Technical Reports Server (NTRS)

    Moore, Bruce; Smellie, Douglas

    1995-01-01

    Nickel-Hydrogen cells are being cycled under a LEO (low earth orbit) test regime to examine the benefits of operating the cells at lower States of Charge (SOC) than typically used. A group of four cells are cycled using a voltage limiting charge regime that limits the State of Charge that the cells are allowed to reach. The test cells are then compared to identical cells being cycled at or near 100% State of Charge using a constant current charge regime.

  14. Charge state breeding experiences and plans at TRIUMF

    SciTech Connect

    Ames, F. Marchetto, M.; Mjøs, A.; Morton, A. C.

    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. A Battery Charger and State of Charge Indicator

    NASA Technical Reports Server (NTRS)

    Latos, T. S.

    1984-01-01

    A battery charger which has a full wave rectifier in series with a transformer isolated 20 kHz dc-dc converter with high frequency switches, which are programmed to actively shape the input dc line current to be a mirror image of the ac line voltage is discussed. The power circuit operates at 2 kW peak and 1 kW average power. The BC/SCI has two major subsystems: (1) the battery charger power electronics with its controls; and (2) a microcomputer subsystem which is used to acquire battery terminal data and exercise the state of charge software programs. The state of charge definition employed is the energy remaining in the battery when extracted at a 10 kW rate divided by the energy capacity of a fully charged new battery. The battery charger circuit is an isolated boost converter operating at an internal frequency of 20 kHz. The switches selected for the battery charger are the single most important item in determining its efficiency. The combination of voltage and current requirements dictate the use of high power NPN Darlington switching transistors. The power circuit topology is a three switch design which utilizes a power FET on the center tap of the isolation transformer and the power Darlingtons on each of the two ends. An analog control system is employed to accomplish active input current waveshaping as well as the necessary regulation.

  16. Charge state breeding experiences and plans at TRIUMF

    NASA Astrophysics Data System (ADS)

    Ames, F.; Marchetto, M.; Mjøs, A.; Morton, A. C.

    2016-02-01

    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.

  17. Charge state breeding experiences and plans at TRIUMF.

    PubMed

    Ames, F; Marchetto, M; Mjøs, A; Morton, A C

    2016-02-01

    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.

  18. Rechargeable, silver-zinc battery conditioner/monitor unit and state-of-charge indicator

    NASA Technical Reports Server (NTRS)

    Thomas, C. E.

    1974-01-01

    Unit automatically charges batteries to desired state-of-charge levels, monitors functional battery parameter data both on meters and printer, and automatically activates alarm in event of battery malfunctions. Unit consists of state-of-charge indicator panel, control panel, monitor panel, power panel, charging-current power supply, and load panel.

  19. Condensation coefficient of methanol vapor near vapor-liquid equilibrium states

    NASA Astrophysics Data System (ADS)

    Fujikawa, S.; Yano, T.; Ichijo, M.; Iwanami, K.

    This paper is concerned with the nonequilibrium condensation from a vapor to a liquid phase on the plate endwall of a shock tube behind a reflected shock wave. The growth of a liquid film on the endwall is measured by an optical interferometer using a laser beam. The experiment is carefully conducted on the precisely designed apparatus, and thereby the condensation coefficient of methanol vapor is determined in a wide range of vapor-liquid conditions from near to far from equilibrium states. The result shows that the condensation coefficient increases with the increase of the ratio of number densities of vapor and saturated vapor at the interface.

  20. Equilibrium conditions and the region of metastable states of Freon-12 gas hydrate

    NASA Astrophysics Data System (ADS)

    Zavodovsky, A. G.; Madygulov, M. Sh.; Reshetnikov, A. M.

    2015-12-01

    The results from DTA experiments to determine the thermodynamic parameters of equilibrium of Freon-12 gas hydrate with water (super cooled water), gas, and ice are analyzed. Empirical relations are obtained for determining the positions of the boundaries in the region of metastable states of Freon-12 gas hydrate in the P-T phase diagram. The enthalpies of dissociation of gas hydrate to water and ice are calculated. The size of pores in Freon-12 hydrate formed from granules of ground ice is estimated from the magnitude of the shift in the quadrupole point at temperatures below 273 K.

  1. Pseudospectral Solution of the Fokker-Planck Equation with Equilibrium Bistable States: the Eigenvalue Spectrum and the Approach to Equilibrium

    NASA Astrophysics Data System (ADS)

    Shizgal, Bernie D.

    2016-09-01

    The Fokker-Planck equation with a constant diffusion coefficient and a particular polynomial drift coefficient can exhibit a bistable equilibrium distribution. Such model systems have been used to study chemical reactions, nucleation, climate, optical bistability and other phenomena. In this paper, we consider a particular choice for the drift coefficient of the form A(x) = x^5 - x^3 to exemplify the statistical behaviour of such systems. The transformation of the Fokker-Planck equation to a Schrödinger equation leads to a potential that belongs to the class of potentials in supersymmetric (SUSY) quantum mechanics. A pseudospectral method based on nonclassical polynomials is used to determine the spectrum of the Fokker-Planck operator and of the Schrödinger equation. The converged numerical eigenvalues are compared with WKB and SWKB approximations of the eigenvalues.

  2. Out-of-equilibrium stationary states, percolation, and subcritical instabilities in a fully nonconservative system

    NASA Astrophysics Data System (ADS)

    Génois, Mathieu; Hersen, Pascal; Bertin, Eric; Courrech du Pont, Sylvain; Grégoire, Guillaume

    2016-10-01

    The exploration of the phase diagram of a minimal model for barchan fields leads to the description of three distinct phases for the system: stationary, percolable, and unstable. In the stationary phase the system always reaches an out-of-equilibrium, fluctuating, stationary state, independent of its initial conditions. This state has a large and continuous range of dynamics, from dilute—where dunes do not interact—to dense, where the system exhibits both spatial structuring and collective behavior leading to the selection of a particular size for the dunes. In the percolable phase, the system presents a percolation threshold when the initial density increases. This percolation is unusual, as it happens on a continuous space for moving, interacting, finite lifetime dunes. For extreme parameters, the system exhibits a subcritical instability, where some of the dunes in the field grow without bound. We discuss the nature of the asymptotic states and their relations to well-known models of statistical physics.

  3. Out-of-equilibrium stationary states, percolation, and subcritical instabilities in a fully nonconservative system.

    PubMed

    Génois, Mathieu; Hersen, Pascal; Bertin, Eric; Courrech du Pont, Sylvain; Grégoire, Guillaume

    2016-10-01

    The exploration of the phase diagram of a minimal model for barchan fields leads to the description of three distinct phases for the system: stationary, percolable, and unstable. In the stationary phase the system always reaches an out-of-equilibrium, fluctuating, stationary state, independent of its initial conditions. This state has a large and continuous range of dynamics, from dilute-where dunes do not interact-to dense, where the system exhibits both spatial structuring and collective behavior leading to the selection of a particular size for the dunes. In the percolable phase, the system presents a percolation threshold when the initial density increases. This percolation is unusual, as it happens on a continuous space for moving, interacting, finite lifetime dunes. For extreme parameters, the system exhibits a subcritical instability, where some of the dunes in the field grow without bound. We discuss the nature of the asymptotic states and their relations to well-known models of statistical physics.

  4. Dynamic surface tension of polyelectrolyte/surfactant systems with opposite charges: two states for the surfactant at the interface.

    PubMed

    Ritacco, Hernán A; Busch, Jorge

    2004-04-27

    The molecular reorientation model of Fainerman et al. is conceptually adapted to explain the dynamic surface tension behavior in polyelectrolyte/surfactant systems with opposite charges. The equilibrium surface tension curves and the adsorption dynamics may be explained by assuming that there are two different states for surfactant molecules at the interface. One of these states corresponds to the adsorption of the surfactant as monomers, and the other to the formation of a mixed complex at the surface. The model also explains the plateaus that appear in the dynamic surface tension curves and gives a picture of the adsorption process.

  5. A Review of Equation of State Models, Chemical Equilibrium Calculations and CERV Code Requirements for SHS Detonation Modelling

    DTIC Science & Technology

    2009-10-01

    Beattie - Bridgeman Virial expansion The above equations are suitable for moderate pressures and are usually based on either empirical constants...CR 2010-013 October 2009 A Review of Equation of State Models, Chemical Equilibrium Calculations and CERV Code Requirements for SHS Detonation...Defence R&D Canada. A Review of Equation of State Models, Chemical Equilibrium Calculations and CERV Code Requirements for SHS Detonation

  6. On the state dependency of the equilibrium climate sensitivity during the last 5 million years

    NASA Astrophysics Data System (ADS)

    Köhler, P.; de Boer, B.; von der Heydt, A. S.; Stap, L. B.; van de Wal, R. S. W.

    2015-12-01

    It is still an open question how equilibrium warming in response to increasing radiative forcing - the specific equilibrium climate sensitivity S - depends on background climate. We here present palaeodata-based evidence on the state dependency of S, by using CO2 proxy data together with a 3-D ice-sheet-model-based reconstruction of land ice albedo over the last 5 million years (Myr). We find that the land ice albedo forcing depends non-linearly on the background climate, while any non-linearity of CO2 radiative forcing depends on the CO2 data set used. This non-linearity has not, so far, been accounted for in similar approaches due to previously more simplistic approximations, in which land ice albedo radiative forcing was a linear function of sea level change. The latitudinal dependency of ice-sheet area changes is important for the non-linearity between land ice albedo and sea level. In our set-up, in which the radiative forcing of CO2 and of the land ice albedo (LI) is combined, we find a state dependence in the calculated specific equilibrium climate sensitivity, S[CO2,LI], for most of the Pleistocene (last 2.1 Myr). During Pleistocene intermediate glaciated climates and interglacial periods, S[CO2,LI] is on average ~ 45 % larger than during Pleistocene full glacial conditions. In the Pliocene part of our analysis (2.6-5 Myr BP) the CO2 data uncertainties prevent a well-supported calculation for S[CO2,LI], but our analysis suggests that during times without a large land ice area in the Northern Hemisphere (e.g. before 2.82 Myr BP), the specific equilibrium climate sensitivity, S[CO2,LI], was smaller than during interglacials of the Pleistocene. We thus find support for a previously proposed state change in the climate system with the widespread appearance of northern hemispheric ice sheets. This study points for the first time to a so far overlooked non-linearity in the land ice albedo radiative forcing, which is important for similar palaeodata

  7. On the state-dependency of the equilibrium climate sensitivity during the last 5 million years

    NASA Astrophysics Data System (ADS)

    Köhler, P.; de Boer, B.; von der Heydt, A. S.; Stap, L. B.; van de Wal, R. S. W.

    2015-07-01

    A still open question is how equilibrium warming in response to increasing radiative forcing - the specific equilibrium climate sensitivity S - is depending on background climate. We here present paleo-data based evidence on the state-dependency of S, by using CO2 proxy data together with 3-D ice-sheet model-based reconstruction of land ice albedo over the last 5 million years (Myr). We find that the land-ice albedo forcing depends non-linearly on the background climate, while any non-linearity of CO2 radiative forcing depends on the CO2 data set used. This non-linearity was in similar approaches not accounted for due to previously more simplistic approximations of land-ice albedo radiative forcing being a linear function of sea level change. Important for the non-linearity between land-ice albedo and sea level is a latitudinal dependency in ice sheet area changes.In our setup, in which the radiative forcing of CO2 and of the land-ice albedo (LI) is combined, we find a state-dependency in the calculated specific equilibrium climate sensitivity S[CO2,LI] for most of the Pleistocene (last 2.1 Myr). During Pleistocene intermediate glaciated climates and interglacial periods S[CO2,LI] is on average ∼ 45 % larger than during Pleistocene full glacial conditions. In the Pliocene part of our analysis (2.6-5 Myr BP) the CO2 data uncertainties prevents a well-supported calculation for S[CO2,LI], but our analysis suggests that during times without a large land-ice area in the Northern Hemisphere (e.g. before 2.82 Myr BP) the specific equilibrium climate sensitivity S[CO2,LI] was smaller than during interglacials of the Pleistocene. We thus find support for a previously proposed state-change in the climate system with the wide appearance of northern hemispheric ice sheets. This study points for the first time to a so far overlooked non-linearity in the land-ice albedo radiative forcing, which is important for similar paleo data-based approaches to calculate climate

  8. Time evolution of charged defect states in tritiated amorphous silicon

    NASA Astrophysics Data System (ADS)

    Costea, Stefan; Kherani, Nazir P.; Zukotynski, Stefan

    2007-11-01

    Tritiated hydrogenated amorphous silicon (a-Si:H:T) thin films were deposited on crystalline silicon and high resistivity glass substrates. The time evolution of the density of defect states in these films was studied using the constant photocurrent method (CPM) and isothermal capacitance transient spectroscopy (ICTS). The density of defect states was found to change with time and to recover upon thermal annealing. The ICTS results revealed that, following thermal annealing, in a sample with approximately 1at.% tritium, the concentration of positively charged dangling bonds (D+) decreased by more than an order of magnitude over a period of 300h. The CPM results showed that, over the same period of time, the concentration of negatively charged dangling bonds (D-) increased by over two orders of magnitude. The D+ and D- concentrations followed exponential functions of time, but the rate was different than that of tritium decay. At the same time, the Urbach energy was found to decrease with time to about 1/2 of its postanneal value. The change in the D+ and D- concentrations is primarily the result of capture of the beta particle generated electrons in dangling bonds and weak bonds, with steady state achieved through the development of a balance between carrier generation and carrier capture processes. The role of excess carriers was confirmed by CPM experiments under electrical bias.

  9. A Computational Investigation of the Equilibrium Constants for the Fluorescent and Chemiluminescent States of Coelenteramide.

    PubMed

    Min, Chun-Gang; Pinto da Silva, Luís; Esteves da Silva, Joaquim C G; Yang, Xi-Kun; Huang, Shao-Jun; Ren, Ai-Min; Zhu, Yan-Qin

    2017-01-04

    In spite of recent advances in understanding the mechanism of coelenterate bioluminescence, there is no consensus about which coelenteramide specie and/or state are the light emitter. In this study, a systematic investigation of the geometries and spectra of all possible light emitters has been performed at the TD ωB97XD/6-31+G(d) level of theory, including various fluorescent and chemiluminescent states in vacuum, in a hydrophobic environment and in aqueous solution. To deduce the most probable form of the fluorescent and chemiluminescent coelenteramide emitter, the equilibrium constants for the fluorescent and chemiluminescent states connecting the various species have been calculated. ωB97XD gives a qualitatively good description of fluorescent and chemiluminescent structures. Coelenteramide is formed in a "dark" chemiluminescent state and must evolve to a bright fluorescent state. Moreover, the photoacidity of the phenol group is significantly higher in the fluorescent state than in the chemiluminescent state, which allows the formation of phenolate coelenteramide and clarifies its role as the bioluminescent emitter.

  10. Optical state-of-charge monitor for batteries

    SciTech Connect

    Weiss, Jonathan D.

    1999-01-01

    A method and apparatus for determining the instantaneous state-of-charge of a battery in which change in composition with discharge manifests itself as a change in optical absorption. In a lead-acid battery, the sensor comprises a fiber optic system with an absorption cell or, alternatively, an optical fiber woven into an absorbed-glass-mat battery. In a lithium-ion battery, the sensor comprises fiber optics for introducing light into the anode to monitor absorption when lithium ions are introduced.

  11. Equilibrium states and chaos in an oscillating double-well potential

    NASA Astrophysics Data System (ADS)

    Jiang, H.; Susanto, H.; Benson, T. M.; Cliffe, K. A.

    2014-01-01

    We investigate numerically parametrically driven coupled nonlinear Schrödinger equations modeling the dynamics of coupled wave fields in a periodically oscillating double-well potential. The equations describe, among other things, two coupled periodically curved optical waveguides with Kerr nonlinearity or Bose-Einstein condensates in a double-well potential that is shaken horizontally and periodically in time. In particular, we study the persistence of equilibrium states of the undriven system due to the presence of the parametric drive. Using numerical continuations of periodic orbits and calculating the corresponding Floquet multipliers, we find that the drive can (de)stabilize a continuation of an equilibrium state indicated by the change in the (in)stability of the orbit, showing that parametric drives can provide a powerful control to nonlinear (optical- or matter-wave-) field tunneling. We also discuss the appearance of chaotic regions reported in previous studies that is due to destabilization of a periodic orbit. Analytical approximations based on an averaging method are presented. Using perturbation theory, the influence of the drive on the symmetry-breaking bifurcation point is analyzed.

  12. Non-equilibrium Steady-State Behavior in a Scale-Free Quantum Network

    NASA Astrophysics Data System (ADS)

    Zhao, Jianshi; Price, Craig; Liu, Qi; Gemelke, Nathan

    We describe the nonequilibrium dynamics of a cold atomic gas held in a spatially random optical potential and gravity, subject to a controlled amount of dissipation in the form of an extremely slow dark-state laser cooling process. Reaching local kinetic temperatures below the 100nK scale, such systems provide a novel context for observing the non-equilibrium steady-state (NESS) behavior of a disordered quantum system. For sufficiently deep potentials and strong dissipation, this system can be modeled by a self-organized version of directed percolation, and exhibits power-law decay of phase-space density with time due to the presence of absorbing clusters with a wide distribution of entropy and coupling rates. In the absence of dissipation, such a model cannot apply, and we observe the crossover to exponential loss of phase-space density. We provide measurements of the power-law decay constant by observing the non-equilibrium motion of atoms over a ten-minute period, consistent with γ = 0 . 31 +/- 0 . 04 , and extract scaling of the absorbed number with dissipation rate, showing another power-law behavior, with exponent 0 . 5 +/- 0 . 2 over two decades of optical excitation probability.

  13. Out-of-equilibrium processes in suspensions of oppositely charged colloids: liquid-to-crystal nucleation and gel formation

    NASA Astrophysics Data System (ADS)

    Sanz, Eduardo

    2009-03-01

    We study the kinetics of the liquid-to-crystal transformation and of gel formation in colloidal suspensions of oppositely charged particles. We analyse, by means of both computer simulations and experiments, the evolution of a fluid quenched to a state point of the phase diagram where the most stable state is either a homogeneous crystalline solid or a solid phase in contact with a dilute gas. On the one hand, at high temperatures and high packing fractions, close to an ordered-solid/disordered-solid coexistence line, we find that the fluid-to-crystal pathway does not follow the minimum free energy route. On the other hand, a quench to a state point far from the ordered-crystal/disordered-crystal coexistence border is followed by a fluid-to-solid transition through the minimum free energy pathway. At low temperatures and packing fractions we observe that the system undergoes a gas-liquid spinodal decomposition that, at some point, arrests giving rise to a gel-like structure. Both our simulations and experiments suggest that increasing the interaction range favors crystallization over vitrification in gel-like structures. [4pt] In collaboration with Chantal Valeriani, Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University, Princetonplein 5, 3584 CC Utrecht, The Netherlands and SUPA, School of Physics, University of Edinburgh, JCMB King's Buildings, Mayfield Road, Edinburgh EH9 3JZ, UK; Teun Vissers, Andrea Fortini, Mirjam E. Leunissen, and Alfons van Blaaderen, Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University; Daan Frenke, FOM Institute for Atomic and Molecular Physics, Kruislaan 407, 1098 SJ Amsterdam, The Netherlands and Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1EW, Cambridge, UK; and Marjolein Dijkstra, Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University.

  14. Simplification of reversible Markov chains by removal of states with low equilibrium occupancy.

    PubMed

    Ullah, Ghanim; Bruno, William J; Pearson, John E

    2012-10-21

    We present a practical method for simplifying Markov chains on a potentially large state space when detailed balance holds. A simple and transparent technique is introduced to remove states with low equilibrium occupancy. The resulting system has fewer parameters. The resulting effective rates between the remaining nodes give dynamics identical to the original system's except on very fast timescales. This procedure amounts to using separation of timescales to neglect small capacitance nodes in a network of resistors and capacitors. We illustrate the technique by simplifying various reaction networks, including transforming an acyclic four-node network to a three-node cyclic network. For a reaction step in which a ligand binds, the law of mass action implies a forward rate proportional to ligand concentration. The effective rates in the simplified network are found to be rational functions of ligand concentration.

  15. Mass conserved elementary kinetics is sufficient for the existence of a non-equilibrium steady state concentration.

    PubMed

    Fleming, R M T; Thiele, I

    2012-12-07

    Living systems are forced away from thermodynamic equilibrium by exchange of mass and energy with their environment. In order to model a biochemical reaction network in a non-equilibrium state one requires a mathematical formulation to mimic this forcing. We provide a general formulation to force an arbitrary large kinetic model in a manner that is still consistent with the existence of a non-equilibrium steady state. We can guarantee the existence of a non-equilibrium steady state assuming only two conditions; that every reaction is mass balanced and that continuous kinetic reaction rate laws never lead to a negative molecule concentration. These conditions can be verified in polynomial time and are flexible enough to permit one to force a system away from equilibrium. With expository biochemical examples we show how reversible, mass balanced perpetual reaction(s), with thermodynamically infeasible kinetic parameters, can be used to perpetually force various kinetic models in a manner consistent with the existence of a steady state. Easily testable existence conditions are foundational for efforts to reliably compute non-equilibrium steady states in genome-scale biochemical kinetic models.

  16. Observations of Nighttime HONO over Snow in a Polluted Urban Area: Evidence of an Equilibrium State?

    NASA Astrophysics Data System (ADS)

    Wojtal, P. R.; McLaren, R.

    2012-12-01

    Nitrous acid (HONO) is an important radical precursor in the troposphere. Recent literature consensus suggests that the dark formation of HONO is through the heterogeneous hydrolysis of NO2 on surfaces largely dominated by hydrolysis on ground surfaces and a smaller contribution from aerosol surfaces. Frequently at night, a steady state of HONO is observed (dHONO/dt ~ 0), which has been ascribed to a balance between heterogeneous formation and dry deposition, both at the surface. The fate of the surface deposited HONO remains an open question; with the possibilities including the accumulation of surface reservoirs of nitrite at night and/or a full dynamic equilibrium that partitions HONO between the atmosphere and the surface. Surface reservoirs of nitrite accumulated at night could potentially act as a source of daytime HONO the next day with several release mechanisms possible. In an effort to shed light on these processes, we made daily measurements of HONO by differential optical absorption spectroscopy at York University, Toronto for a 1-year period, including periods of snow accumulation at the surface. Our hypothesis is that during periods of snow coverage, the urban area behaves as a truly aqueous environment, similar to a body of water. Of interest is the frequently observed phenomena of a fast approach to a steady state at sunset with rates of increase of d[HONO]/dt = 2.0 ppb/hr, and long periods in which the mixing ratio of HONO is constant at a median level of ~ 1.1 ppb. We discuss these observations in the context of the steady state being better described as a dynamic equilibrium state.

  17. The possibility of steady state nonionization equilibrium conditions in soft X-ray flare plasmas

    NASA Technical Reports Server (NTRS)

    Doschek, G. A.

    1984-01-01

    The possibility of the existence in soft X-ray flare plasmas of conditions that result in a steady state departure of ion abundances from ionization equilibrium values is considered. The observed flare plasma is assumed to be a result of many small 'elementary bursts' that occur on time scales comparable to the ionization and recombination times of highly ionized atoms of iron and calcium. Specific models are adopted, the time-dependent equations for ion abundances are solved numerically, and X-ray line intensities and line ratios are computed and averaged over the effective time of a single burst. The computed results are compared to observed variations for a number of different line ratios. Although the behavior of certain line ratios can be explained in the context of the burst models considered in this paper, the behavior of the set of all the available line ratios cannot be explained in this manner. The observed departures of line ratios from equilibrium values that can be explained in terms of a burst scenario can also be accounted for by uncertainties in the atomic physics.

  18. Numerical study of the steady state fluctuation relations far from equilibrium

    NASA Astrophysics Data System (ADS)

    Williams, Stephen R.; Searles, Debra J.; Evans, Denis J.

    2006-05-01

    A thermostatted dynamical model with five degrees of freedom is used to test the fluctuation relation of Evans and Searles (Ω-FR) and that of Gallavotti and Cohen (Λ-FR). In the absence of an external driving field, the model generates a time-independent ergodic equilibrium state with two conjugate pairs of Lyapunov exponents. Each conjugate pair sums to zero. The fluctuation relations are tested numerically both near and far from equilibrium. As expected from previous work, near equilibrium the Ω-FR is verified by the simulation data while the Λ-FR is not confirmed by the data. Far from equilibrium where a positive exponent in one of these conjugate pairs becomes negative, we test a conjecture regarding the Λ-FR [Bonetto et al., Physica D 105, 226 (1997); Giuliani et al., J. Stat. Phys. 119, 909 (2005)]. It was conjectured that when the number of nontrivial Lyapunov exponents that are positive becomes less than the number of such negative exponents, then the form of the Λ-FR needs to be corrected. We show that there is no evidence for this conjecture in the empirical data. In fact, when the correction factor differs from unity, the corrected form of Λ-FR is less accurate than the uncorrected Λ-FR. Also as the field increases the uncorrected Λ-FR appears to be satisfied with increasing accuracy. The reason for this observation is likely to be that as the field increases, the argument of the Λ-FR more and more accurately approximates the argument of the Ω-FR. Since the Ω-FR works for arbitrary field strengths, the uncorrected Λ-FR appears to become ever more accurate as the field increases. The final piece of evidence against the conjecture is that when the smallest positive exponent changes sign, the conjecture predicts a discontinuous change in the "correction factor" for Λ-FR. We see no evidence for a discontinuity at this field strength.

  19. Numerical study of the steady state fluctuation relations far from equilibrium.

    PubMed

    Williams, Stephen R; Searles, Debra J; Evans, Denis J

    2006-05-21

    A thermostatted dynamical model with five degrees of freedom is used to test the fluctuation relation of Evans and Searles (Omega-FR) and that of Gallavotti and Cohen (Lambda-FR). In the absence of an external driving field, the model generates a time-independent ergodic equilibrium state with two conjugate pairs of Lyapunov exponents. Each conjugate pair sums to zero. The fluctuation relations are tested numerically both near and far from equilibrium. As expected from previous work, near equilibrium the Omega-FR is verified by the simulation data while the Lambda-FR is not confirmed by the data. Far from equilibrium where a positive exponent in one of these conjugate pairs becomes negative, we test a conjecture regarding the Lambda-FR [Bonetto et al., Physica D 105, 226 (1997); Giuliani et al., J. Stat. Phys. 119, 909 (2005)]. It was conjectured that when the number of nontrivial Lyapunov exponents that are positive becomes less than the number of such negative exponents, then the form of the Lambda-FR needs to be corrected. We show that there is no evidence for this conjecture in the empirical data. In fact, when the correction factor differs from unity, the corrected form of Lambda-FR is less accurate than the uncorrected Lambda-FR. Also as the field increases the uncorrected Lambda-FR appears to be satisfied with increasing accuracy. The reason for this observation is likely to be that as the field increases, the argument of the Lambda-FR more and more accurately approximates the argument of the Omega-FR. Since the Omega-FR works for arbitrary field strengths, the uncorrected Lambda-FR appears to become ever more accurate as the field increases. The final piece of evidence against the conjecture is that when the smallest positive exponent changes sign, the conjecture predicts a discontinuous change in the "correction factor" for Lambda-FR. We see no evidence for a discontinuity at this field strength.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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].

  2. The formation of equilibrium space-charge zones at grain boundaries in the perovskite oxide SrTiO3.

    PubMed

    De Souza, Roger A

    2009-11-21

    The thermodynamics of space-charge formation at grain boundaries in acceptor-doped SrTiO(3) is examined. Thermodynamic models of varying complexity are developed, which predict the space-charge potential as a function of thermodynamic variables, such as dopant concentration, temperature and oxygen partial pressure. Based on the results, limits to the space-charge potential that can arise at a grain boundary and strategies for tuning the space-charge potential are discussed. With literature equations linking the space-charge potential to electrical properties, one specific thermodynamic model is subsequently applied to electrical impedance data reported in the literature for tilt bicrystal samples of Fe-doped SrTiO(3). The thermodynamic driving energies for space-charge formation obtained from the analysis are examined as a function of tilt misorientation angle, in order to explore the relationship between driving energy and interface atomistic structure. In addition, the capabilities and deficiencies of the entire approach (from driving energies via space-charge potentials to electrical properties), with regard to predicting experimental behaviour, are demonstrated.

  3. Equilibrium and stationary nonequilibrium states in a chain of colliding harmonic oscillators

    PubMed

    Sano

    2000-02-01

    Equilibrium and nonequilibrium properties of a chain of colliding harmonic oscillators (ding-dong model) are investigated. Our chain is modeled as harmonically bounded particles that can only interact with neighboring particles by hard-core interaction. Between the collisions, particles are just independent harmonic oscillators. We are especially interested in the stationary nonequilibrium state of the ding-dong model coupled with two stochastic heat reservoirs (not thermostated) at the ends, whose temperature is different. We check the Gallavotti-Cohen fluctuation theorem [G. Gallavoti and E. G. D. Cohen, Phys. Rev. Lett. 74, 2694 (1995)] and also the Evans-Searles identity [D. Evans and D. Searles, Phys. Rev. E. 50, 1994 (1994)] numerically. It is verified that the former theorem is satisfied for this system, although the system is not a thermostated system.

  4. Indicial response approach derived from Navier-Stokes equations. Part 1: Time-invariant equilibrium state

    NASA Technical Reports Server (NTRS)

    Truong, K. V.; Tobak, M.

    1990-01-01

    The indicial response approach is recast in a form appropriate to the study of vortex induced oscillations phenomena. An appropriate form is demonstrated for the indicial response of the velocity field which may be derived directly from the Navier-Stokes equations. On the basis of the Navier-Stokes equations, it is demonstrated how a form of the velocity response to an arbitrary motion may be determined. To establish its connection with the previous work, the new approach is applied first to the simple situation wherein the indicial response has a time invariant equilibrium state. Results for the aerodynamic response to an arbitrary motion are shown to confirm to the form obtained previously.

  5. Molecular Bound States of Supercritical Charged Impurities on Graphene

    NASA Astrophysics Data System (ADS)

    Velizhanin, Kirill; Adamska, Lyudmyla; Solenov, Dmitry

    2015-03-01

    Functionalization of graphene by chemical groups/atoms allows one to tune its electronic, chemical and mechanical properties. For example, metallic adatoms (e.g., Li, Ca, Y) can be important in applications ranging from hydrogen storage to superconductivity. Such adatoms bind ionically to graphene and the resulting positive ions move along graphene relatively freely, so understanding the energetics of their interaction with graphene and between each other becomes critical for assessing stability of resulting materials in practical applications. It has recently been demonstrated that ions with charge greater than Z ~ 1 induce a very peculiar non-linear electronic polarization of graphene, which is reminiscent to the Dirac vacuum reconstruction around superheavy nuclei. In our work we demonstrate that such non-linear polarization qualitatively changes not only graphene electronic structure but also the energetics of the effective graphene-mediated interaction between such ions. In my talk, I will discuss the properties of such effective interaction and its dependence on various parameters of the system. In particular, I will report on our finding that molecular bound states of supercritically charged ions can be formed on graphene at certain conditions. This work was performed under the NNSA of the U.S. DOE at LANL under Contract No. DE-AC52-06NA25396.

  6. Table of experimental nuclear ground state charge radii: An update

    SciTech Connect

    Angeli, I.; Marinova, K.P.

    2013-01-15

    The present table contains experimental root-mean-square (rms) nuclear charge radii R obtained by combined analysis of two types of experimental data: (i) radii changes determined from optical and, to a lesser extent, K{sub α} X-ray isotope shifts and (ii) absolute radii measured by muonic spectra and electronic scattering experiments. The table combines the results of two working groups, using respectively two different methods of evaluation, published in ADNDT earlier. It presents an updated set of rms charge radii for 909 isotopes of 92 elements from {sub 1}H to {sub 96}Cm together, when available, with the radii changes from optical isotope shifts. Compared with the last published tables of R-values from 2004 (799 ground states), many new data are added due to progress recently achieved by laser spectroscopy up to early 2011. The radii changes in isotopic chains for He, Li, Be, Ne, Sc, Mn, Y, Nb, Bi have been first obtained in the last years and several isotopic sequences have been recently extended to regions far off stability, (e.g., Ar, Mo, Sn, Te, Pb, Po)

  7. Relaxation from Steady States Far from Equilibrium and the Persistence of Anomalous Shock Behavior in Weakly Ionized Gases

    NASA Technical Reports Server (NTRS)

    Rubinstein, Robert; Auslender, Aaron H.

    1999-01-01

    The decay of anomalous effects on shock waves in weakly ionized gases following plasma generator extinction has been measured in the anticipation that the decay time must correlate well with the relaxation time of the mechanism responsible for the anomalous effects. When the relaxation times cannot be measured directly, they are inferred theoretically, usually assuming that the initial state is nearly in thermal equilibrium. In this paper, it is demonstrated that relaxation from any steady state far from equilibrium, including the state of a weakly ionized gas, can proceed much more slowly than arguments based on relaxation from near equilibrium states might suggest. This result justifies a more careful analysis of the relaxation times in weakly ionized gases and suggests that although the experimental measurements of relaxation times did not lead to an unambiguous conclusion, this approach to understanding the anomalous effects may warrant further investigation.

  8. Equilibrium equation of state of a hard sphere binary mixture at very large densities using replica exchange Monte Carlo simulations.

    PubMed

    Odriozola, Gerardo; Berthier, Ludovic

    2011-02-07

    We use replica exchange Monte Carlo simulations to measure the equilibrium equation of state of the disordered fluid state for a binary hard sphere mixture up to very large densities where standard Monte Carlo simulations do not easily reach thermal equilibrium. For the moderate system sizes we use (up to N = 100), we find no sign of a pressure discontinuity near the location of dynamic glass singularities extrapolated using either algebraic or simple exponential divergences, suggesting they do not correspond to genuine thermodynamic glass transitions. Several scenarios are proposed for the fate of the fluid state in the thermodynamic limit.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    SciTech Connect

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

    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.

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

    PubMed

    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.

  12. Curl flux, coherence, and population landscape of molecular systems: nonequilibrium quantum steady state, energy (charge) transport, and thermodynamics.

    PubMed

    Zhang, Zhedong; Wang, Jin; Zhang, Z D; Wang, J

    2014-06-28

    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. Populations of states give the probabilities of individual states and therefore quantify the population landscape. Both curl flux and coherence depend on steady state population landscape. 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 the regime of small tunneling while reduced by the coherence in the regime of large tunneling, due to the non-monotonic relationship between the coherence and tunneling. This is in contrast to the previously found linear relationship. For the systems coupled to bosonic (photonic and phononic) reservoirs the flux is significantly promoted at large voltage while for fermionic (electronic) reservoirs the flux reaches a saturation after a significant enhancement at large voltage due to the Pauli exclusion principle. In view of the system as a quantum heat engine, we studied the non-equilibrium thermodynamics and established the analytical connections of curl quantum flux to the transport quantities such as energy (charge) transfer efficiency, chemical reaction efficiency, energy

  13. Charge-recombination processes in organic solar cells: the impact of charge-transfer states (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Coropceanu, Veaceslav

    2016-09-01

    We study the role of electron-vibration coupling, electronic polarization, molecular packing, system size and electron delocalization on the nature of the charge-transfer states in model donor-acceptor systems. The morphologies we consider range from a bilayer with flat interface to a bilayer with rough interface and bulk heterojunctions with coarse and fine intercalated domains of donor and acceptor molecules. The implications of the charge-transfer states, active material morphology, density of states and charge carrier concentration on non-geminate recombination kinetics is investigated by means of a three-dimensional reaction-diffusion lattice model with the charge carrier hopping rate described by the Miller-Abrahams formalism.

  14. A steady-state non-equilibrium molecular dynamics approach for the study of evaporation processes

    NASA Astrophysics Data System (ADS)

    Zhang, Jianguo; Müller-Plathe, Florian; Yahia-Ouahmed, Méziane; Leroy, Frédéric

    2013-10-01

    Two non-equilibrium methods (called bubble method and splitting method, respectively) have been developed and tested to study the steady state evaporation of a droplet surrounded by its vapor, where the evaporation continuously occurs at the vapor-liquid interface while the droplet size remains constant. In the bubble method, gas molecules are continuously reinserted into a free volume (represented by a bubble) located at the centre of mass of the droplet to keep the droplet size constant. In the splitting method, a molecule close to the centre of mass of the droplet is split into two: In this way, the droplet size is also maintained during the evaporation. By additional local thermostats confined to the area of insertion, the effect of frequent insertions on properties such as density and temperature can be limited to the immediate insertion area. Perturbations are not observed in other parts of the droplet. In the end, both the bubble method and the splitting method achieve steady-state droplet evaporation. Although these methods have been developed using an isolated droplet, we anticipate that they will find a wide range of applications in the study of the evaporation of isolated films and droplets or thin films on heated substrates or under confinement. They can in principle also be used to study the steady-state of other physical processes, such as the diffusion or permeation of gas molecules or ions in a pressure gradient or a concentration gradient.

  15. MAPPING THE DISTRIBUTION OF ELECTRON TEMPERATURE AND Fe CHARGE STATES IN THE CORONA WITH TOTAL SOLAR ECLIPSE OBSERVATIONS

    SciTech Connect

    Habbal, S. Rifai; Morgan, H.; Scholl, I.; Druckmueller, M.; Daw, A.; Johnson, J.; Ding, A.; Arndt, M.; Esser, R.; Rusin, V.

    2010-01-10

    The inference of electron temperature from the ratio of the intensities of emission lines in the solar corona is valid only when the plasma is collisional. Once collisionless, thermodynamic ionization equilibrium no longer holds, and the inference of an electron temperature and its gradient from such measurements is no longer valid. At the heliocentric distance where the transition from a collision-dominated to a collisionless plasma occurs, the charge states of different elements are established, or frozen-in. These are the charge states which are subsequently measured in interplanetary space. We show in this study how the 2006 March 29 and 2008 August 1 eclipse observations of a number of Fe emission lines yield an empirical value for a distance, which we call R{sub t} , where the emission changes from being collisionally to radiatively dominated. R{sub t} ranges from 1.1 to 2.0 R{sub sun}, depending on the charge state and the underlying coronal density structures. Beyond that distance, the intensity of the emission reflects the distribution of the corresponding Fe ion charge states. These observations thus yield the two-dimensional distribution of electron temperature and charge state measurements in the corona for the first time. The presence of the Fe X 637.4 nm and Fe XI 789.2 nm emission in open magnetic field regions below R{sub t} , such as in coronal holes and the boundaries of streamers, and the absence of Fe XIII 1074.7 nm and Fe XIV 530.3 nm emission there indicate that the sources of the solar wind lie in regions where the electron temperature is less than 1.2 x 10{sup 6} K. Beyond R{sub t} , the extent of the Fe X [Fe{sup 9+}] and Fe XI emission [Fe{sup 10+}], in comparison with Fe XIII [Fe{sup 12+}] and Fe XIV [Fe{sup 13+}], matches the dominance of the Fe{sup 10+} charge states measured by the Solar Wind Ion Composition Spectrometer, SWICS, on Ulysses, at -43{sup 0} latitude at 4 AU, in March-April 2006, and Fe{sup 9+} and Fe{sup 10+} charge

  16. Equilibrium Fermi's Golden Rule Charge Transfer Rate Constants in the Condensed Phase: The Linearized Semiclassical Method vs Classical Marcus Theory.

    PubMed

    Sun, Xiang; Geva, Eitan

    2016-05-19

    In this article, we present a comprehensive comparison between the linearized semiclassical expression for the equilibrium Fermi's golden rule rate constant and the progression of more approximate expressions that lead to the classical Marcus expression. We do so within the context of the canonical Marcus model, where the donor and acceptor potential energy surface are parabolic and identical except for a shift in both the free energies and equilibrium geometries, and within the Condon region. The comparison is performed for two different spectral densities and over a wide range of frictions and temperatures, thereby providing a clear test for the validity, or lack thereof, of the more approximate expressions. We also comment on the computational cost and scaling associated with numerically calculating the linearized semiclassical expression for the rate constant and its dependence on the spectral density, temperature, and friction.

  17. Using (18)O/(16)O exchange to probe an equilibrium space-charge layer at the surface of a crystalline oxide: method and application.

    PubMed

    De Souza, Roger A; Martin, Manfred

    2008-05-07

    The use of an (18)O/(16)O exchange experiment as a means for probing surface space-charge layers in oxides is examined theoretically and experimentally. On the basis of a theoretical treatment, isotope penetration profiles are calculated for (18)O/(16)O exchange across a gas-solid interface and subsequent diffusion of the labelled isotope through an equilibrium space-charge layer depleted of mobile oxygen vacancies and into a homogeneous bulk phase. Profiles calculated for a range of conditions all have a characteristic shape: a sharp drop in isotope fraction close to the surface followed by a normal bulk diffusion profile. Experimental (18)O profiles in an exchanged (001) oriented single crystal of Fe-doped SrTiO(3) were measured by time-of-flight secondary ion mass spectrometry (ToF-SIMS). By extracting the space-charge potential from such profiles, we demonstrate that this method allows the spatially resolved characterization of space-charge layers at the surfaces of crystalline oxides under thermodynamically well-defined conditions.

  18. Modeling the detector of charge states of relativistic multicharged ions

    NASA Astrophysics Data System (ADS)

    Malyshevsky, V. S.; Fomin, G. V.; Ivanova, I. A.

    2017-01-01

    A way to identify charge distributions of relativistic multicharged ions by recording the angular distribution of the Cherenkov radiation of ions is analyzed; preliminarily, ions with different charges are separated by ion velocities in an external target with a large charge number. As a result, when an ion beam enters the Cherenkov radiator, different charges radiate at different angles to the direction of the ion motion and the radiation intensity is proportional to the fraction of ions with a given charge in the beam.

  19. Battery state-of-charge estimation using approximate least squares

    NASA Astrophysics Data System (ADS)

    Unterrieder, C.; Zhang, C.; Lunglmayr, M.; Priewasser, R.; Marsili, S.; Huemer, M.

    2015-03-01

    In recent years, much effort has been spent to extend the runtime of battery-powered electronic applications. In order to improve the utilization of the available cell capacity, high precision estimation approaches for battery-specific parameters are needed. In this work, an approximate least squares estimation scheme is proposed for the estimation of the battery state-of-charge (SoC). The SoC is determined based on the prediction of the battery's electromotive force. The proposed approach allows for an improved re-initialization of the Coulomb counting (CC) based SoC estimation method. Experimental results for an implementation of the estimation scheme on a fuel gauge system on chip are illustrated. Implementation details and design guidelines are presented. The performance of the presented concept is evaluated for realistic operating conditions (temperature effects, aging, standby current, etc.). For the considered test case of a GSM/UMTS load current pattern of a mobile phone, the proposed method is able to re-initialize the CC-method with a high accuracy, while state-of-the-art methods fail to perform a re-initialization.

  20. Nickel-hydrogen battery state of charge during low rate trickle charging

    NASA Technical Reports Server (NTRS)

    Lurie, C.; Foroozan, S.; Brewer, J.; Jackson, L.

    1995-01-01

    Battery temperature increase, due to low rate trickle charging, has been determined experimentally, using a six cell battery module in a test setup simulating the anticipated AXAF-1 prelaunch environment. Test results indicate trickle charge rates less than or equal to the self discharge rate do not increase dissipation beyond that due to the self discharge. Significant trickle charge rates (approximately C/500) result in battery temperatures only a few degrees (F) higher than those observed during periods of open circuit stand.

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

    NASA Astrophysics Data System (ADS)

    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.

  2. Scaling of the equilibrium magnetization in the mixed state of type-II superconductors

    NASA Astrophysics Data System (ADS)

    Landau, I. L.; Ott, H. R.

    2005-04-01

    We discuss the analysis of mixed-state magnetization data of type-II superconductors using a recently developed scaling procedure. It is based on the fact that, if the Ginzburg-Landau parameter κ does not depend on temperature, the magnetic susceptibility χ(H,T) is a universal function of H/Hc2(T), leading to a simple relation between magnetizations at different temperatures. Although this scaling procedure does not provide absolute values of the upper critical field Hc2(T), its temperature variation can be established rather accurately. This provides an opportunity to validate theoretical models that are usually employed for the evaluation of Hc2(T) from equilibrium magnetization data. In the second part of the paper we apply this scaling procedure for a discussion of the notorious first order phase transition in the mixed state of high-Tc superconductors. Our analysis, based on experimental magnetization data available in the literature, shows that the shift of the magnetization accross the transition may adopt either sign, depending on the particular chosen sample. We argue that this observation is inconsistent with the interpretation that this transition always represents the melting transition of the vortex lattice.

  3. The crossover between organized and disorganized states in some non-equilibrium systems

    NASA Astrophysics Data System (ADS)

    González, Diego Luis; Téllez, Gabriel

    2009-05-01

    We study numerically the crossover between organized and disorganized states of three non-equilibrium systems: the Poisson/coalesce random walk (PCRW), a one-dimensional spin system and a quasi one-dimensional lattice gas. In all cases, we describe this crossover in terms of the average spacing between particles/domain borders langS(t)rang and the spacing distribution functions p(n)(s). The nature of the crossover is not the same for all systems; however, we found that for all systems the nearest neighbor distribution p(0)(s) is well fitted by the Berry-Robnik model. The destruction of the level repulsion in the crossover between organized and disorganized states is present in all systems. Additionally, we found that the correlations between domains in the gas and spin systems are not strong and can be neglected in a first approximation, but for the PCRW the correlations between particles must be taken into account. To find p(n)(s) with n > 1, we propose two different analytical models based on the Berry-Robnik model. Our models give us a good approximation for the statistical behavior of these systems at their crossover and allow us to quantify the degree of order/disorder of the system.

  4. Evidence for out-of-equilibrium states in warm dense matter probed by x-ray Thomson scattering.

    PubMed

    Clérouin, Jean; Robert, Grégory; Arnault, Philippe; Ticknor, Christopher; Kress, Joel D; Collins, Lee A

    2015-01-01

    A recent and unexpected discrepancy between ab initio simulations and the interpretation of a laser shock experiment on aluminum, probed by x-ray Thomson scattering (XRTS), is addressed. The ion-ion structure factor deduced from the XRTS elastic peak (ion feature) is only compatible with a strongly coupled out-of-equilibrium state. Orbital free molecular dynamics simulations with ions colder than the electrons are employed to interpret the experiment. The relevance of decoupled temperatures for ions and electrons is discussed. The possibility that it mimics a transient, or metastable, out-of-equilibrium state after melting is also suggested.

  5. Angular and charge state distributions of highly charged ions scattered during low energy surface-channeling interactions with Au(110)

    SciTech Connect

    Meyer, F.W.; Folkerts, L.; Schippers, S.

    1994-10-01

    The authors have measured scattered projectile angular and charge state distributions for 3.75 keV/amu O{sup q+} (3 {le} q {le} 8) and 1.2 keV/amu Ar{sup 1+} (3 {le} q {le} 14) ions grazingly incident along the [110] and [100] directions of a Au(110) single crystal target. Scattered projectile angular distribution characteristic of surface channeling are observed. For both incident species, the dominant scattered charge fraction is neutral, which varies only by a few percent as a function of incident charge state. Significant O{sup {minus}} formation is observed, which manifests a distinct velocity threshold. For incident Ar projectiles with open L-shells, the positive scattered charge fractions, while always less than about 10%, increase linearly with increasing number of initial L-shell vacancies.

  6. Point charge embedding for ONIOM excited states calculations

    NASA Astrophysics Data System (ADS)

    Biancardi, Alessandro; Barnes, Jeremy; Caricato, Marco

    2016-12-01

    Hybrid quantum mechanical methods can assist in the interpretation and prediction of the electronic spectra of large molecular structures. In this work, we study the performance of the ONIOM (Our own N-layered Integrated molecular Orbital molecular Mechanics) hybrid method for the calculation of transition energies and oscillator strengths by embedding the core region in a field of fixed point charges. These charges introduce polarization effects from the substituent groups to the core region. We test various charge definitions, with particular attention to the issue of overpolarization near the boundary between layers. To minimize this issue, we fit the charges on the electrostatic potential of the entire structure in the presence of the link atoms used to cap dangling bonds. We propose two constrained fitting strategies: one that produces an average set of charges common to both model system calculations, EE(L1), and one that produces two separate sets of embedding charges, EE(L2). The results from our tests show that indeed electronic embedding with constrained-fitted charges tends to improve the performance of ONIOM compared to non-embedded calculations. However, the EE(L2) charges work best for transition energies, and the EE(L1) charges work best for oscillator strengths. This may be an indication that fixed point charges do not have enough flexibility to adapt to each system, and other effects (e.g., polarization of the embedding field) may be necessary.

  7. A second perspective on the Amann-Schmiedl-Seifert criterion for non-equilibrium in a three-state system

    NASA Astrophysics Data System (ADS)

    Jia, Chen; Chen, Yong

    2015-05-01

    In the work of Amann, Schmiedl and Seifert (2010 J. Chem. Phys. 132 041102), the authors derived a sufficient criterion to identify a non-equilibrium steady state (NESS) in a three-state Markov system based on the coarse-grained information of two-state trajectories. In this paper, we present a mathematical derivation and provide a probabilistic interpretation of the Amann-Schmiedl-Seifert (ASS) criterion. Moreover, the ASS criterion is compared with some other criterions for a NESS.

  8. Numerical Analysis on Non-Equilibrium Mechanism of Laser-Supported Detonation Wave Using Multiply-Charged Ionization

    SciTech Connect

    Shiraishi, Hiroyuki

    2006-05-02

    Laser-Supported Detonation (LSD), one type of Laser-Supported Plasma (LSP), is considered as the most important phenomena because it can generate high pressure and high temperature for laser absorption. In this study, I have numerically simulated the 1-D LSD waves propagating through a helium gas, in which Multiply-charged ionization model is considered for describing an accurate ionization process.

  9. Numerical Analysis on Non-Equilibrium Mechanism of Laser-Supported Detonation Wave Using Multiply-Charged Ionization

    NASA Astrophysics Data System (ADS)

    Shiraishi, Hiroyuki

    2006-05-01

    Laser-Supported Detonation (LSD), one type of Laser-Supported Plasma (LSP), is considered as the most important phenomena because it can generate high pressure and high temperature for laser absorption. In this study, I have numerically simulated the 1-D LSD waves propagating through a helium gas, in which Multiply-charged ionization model is considered for describing an accurate ionization process.

  10. Stability of charged strange quark stars

    SciTech Connect

    Arbañil, José D. V.; Malheiro, Manuel

    2015-12-17

    We investigate the hydrostatic equilibrium and the stability of charged stars made of a charged perfect fluid. The matter contained in the star follows the MIT bag model equation of state and the charge distribution to a power-law of the radial coordinate. The hydrostatic equilibrium and the stability of charged strange stars are analyzed using the Tolman-Oppenheimer-Volkoff equation and the Chandrasekhar’s equation pulsation, respectively. These two equation are modified from their original form to the inclusion of the electric charge. We found that the stability of the star decreases with the increment of the central energy density and with the increment of the amount of charge.

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

    NASA Astrophysics Data System (ADS)

    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.

  12. Development and Assessment of a Computer-Based Equation of State for Equilibrium Air

    DTIC Science & Technology

    2013-09-01

    Pressure .............. 25 10. High-Density Contribution to the Enthalpy Divided by the Equilibrium Enthalpy ............... 26 11. High-Density...Contribution to the Entropy Divided by the Equilibrium Entropy .................. 27 12. Relative Difference in Calculated Enthalpy for Six Temperatures for...13. Relative Difference in Calculated Enthalpy for Six Temperatures for Lowest Densities ... 33 14. Relative Difference in Calculated Enthalpy for

  13. Thermal State-of-Charge in Solar Heat Receivers

    NASA Technical Reports Server (NTRS)

    Hall, Carsie A., Jr.; Glakpe, Emmanuel K.; Cannon, Joseph N.; Kerslake, Thomas W.

    1998-01-01

    A theoretical framework is developed to determine the so-called thermal state-of-charge (SOC) in solar heat receivers employing encapsulated phase change materials (PCMS) that undergo cyclic melting and freezing. The present problem is relevant to space solar dynamic power systems that would typically operate in low-Earth-orbit (LEO). The solar heat receiver is integrated into a closed-cycle Brayton engine that produces electric power during sunlight and eclipse periods of the orbit cycle. The concepts of available power and virtual source temperature, both on a finite-time basis, are used as the basis for determining the SOC. Analytic expressions for the available power crossing the aperture plane of the receiver, available power stored in the receiver, and available power delivered to the working fluid are derived, all of which are related to the SOC through measurable parameters. Lower and upper bounds on the SOC are proposed in order to delineate absolute limiting cases for a range of input parameters (orbital, geometric, etc.). SOC characterization is also performed in the subcooled, two-phase, and superheat regimes. Finally, a previously-developed physical and numerical model of the solar heat receiver component of NASA Lewis Research Center's Ground Test Demonstration (GTD) system is used in order to predict the SOC as a function of measurable parameters.

  14. Spin-up, adjustment and equilibrium state of the Antarctic Circumpolar Current.

    NASA Astrophysics Data System (ADS)

    Marshall, D. P.; Allison, L. C.; Johnson, H. L.; Munday, D. R.

    2008-12-01

    Results will be presented for the spin-up, adjustment and equilibrium state of the Antarctic Circumpolar Current (ACC), forced by wind stress, buoyancy forcing and diapycnal mixing. First, an analytical model will be presented for the spin-up of an ACC in a reduced-gravity ocean, starting from a shallow pycnocline (consistent with Sandstrom's theorem). The initial spin up is controlled by diapycnal mixing, but the eventual equilibration/adjustment time-scale is controlled by the Gent and McWilliams eddy transfer coefficient. This result has important implications for climate model studies: eddy closures greatly underestimate the sensitivity of the eddy fluxes to subtle changes in the mean strength of the ACC, and the adjustment time- scale is therefore likely to be overestimated. We also find that diapycnal mixing plays an important in setting the mean strength of the ACC, in particular in the limit of strong diapycnal mixing (10-4 m2 s- 1), for precisely the same reasons that diapycnal mixing may play a role in setting the strength of the Atlantic Meridional Overturning Circulation (AMOC). These theoretical predictions are compared with the results of numerical calculations using the MITgcm, in a global configuration with parameterized eddies, and in an idealized basin/reentrant channel configuration with partially resolved eddies. The relation of the adjustment of the ACC to the global pycnocline and the AMOC, and the possibility of exciting seiching modes between the different basins, will also be discussed.

  15. Spin-up, adjustment and equilibrium state of the Antarctic Circumpolar Current

    NASA Astrophysics Data System (ADS)

    Johnson, H. L.; Allison, L. C.; Marshall, D. P.; Munday, D. R.

    2009-04-01

    An analytical model will be presented for the spin-up, adjustment and equilibrium state of the Antarctic Circumpolar Current (ACC) in a reduced-gravity ocean, forced by wind stress, buoyancy forcing and diapycnal mixing. The initial spin-up from a shallow pycnocline (consistent with Sandstrom's theorem) is controlled by diapycnal mixing, but the eventual equilibration/adjustment time-scale is controlled by the Gent and McWilliams eddy transfer coefficient. This has important implications for climate model studies, which greatly underestimate the sensitivity of eddy fluxes to changes in the mean strength of the ACC. We also find that diapycnal mixing plays an important role in setting the mean strength of the ACC, in particular in the limit of strong diapycnal mixing (10-4 m2 s-1). This is for precisely the same reasons that diapycnal mixing may be important in setting the strength of the Atlantic Meridional Overturning Circulation (AMOC). The theoretical predictions are compared with the results of numerical calculations carried out with the MITgcm, in a global configuration with parameterized eddies, and in an idealized basin/re-entrant channel configuration with partially resolved eddies. The relationship between ACC adjustment, the global pycnocline and the AMOC, as well as the possibility of exciting seiching modes between the different basins, will also be discussed.

  16. Effect of deep trapping states on space charge suppression in polyethylene/ZnO nanocomposite

    NASA Astrophysics Data System (ADS)

    Tian, Fuqiang; Lei, Qingquan; Wang, Xuan; Wang, Yi

    2011-10-01

    This letter intends to reveal the mechanism of space charge suppression in low density polyethylene (LDPE)/ZnO nanocomposites. Trap level and space charge distributions were obtained from modified isothermal discharge current method and pulsed electro-acoustic (PEA) method, respectively. The results showed that ZnO nanoparticle doping introduced large amounts of deep trapping states, significantly reduced space charge accumulation and conduction current. The results can be explained in terms of deep trapping states resulted from the interface regions and morphology structure changes by nanoparticles doping, which greatly reduced the charge mobility, raised the charge injection potential at the contact and weakened impurity ionization.

  17. Equilibrium phase behavior and maximally random jammed state of truncated tetrahedra.

    PubMed

    Chen, Duyu; Jiao, Yang; Torquato, Salvatore

    2014-07-17

    Numerous recent investigations have been devoted to the determination of the equilibrium phase behavior and packing characteristics of hard nonspherical particles, including ellipsoids, superballs, and polyhedra, to name but just a few shapes. Systems of hard nonspherical particles exhibit a variety of stable phases with different degrees of translational and orientational order, including isotropic liquid, solid crystal, rotator and a variety of liquid crystal phases. In this paper, we employ a Monte Carlo implementation of the adaptive-shrinking-cell (ASC) numerical scheme and free-energy calculations to ascertain with high precision the equilibrium phase behavior of systems of congruent Archimedean truncated tetrahedra over the entire range of possible densities up to the maximal nearly space-filling density. In particular, we find that the system undergoes two first-order phase transitions as the density increases: first a liquid-solid transition and then a solid-solid transition. The isotropic liquid phase coexists with the Conway-Torquato (CT) crystal phase at intermediate densities, verifying the result of a previous qualitative study [ J. Chem. Phys. 2011 , 135 , 151101 ]. The freezing- and melting-point packing fractions for this transition are respectively ϕF = 0.496 ± 0.006 and ϕM = 0.591 ± 0.005. At higher densities, we find that the CT phase undergoes another first-order phase transition to one associated with the densest-known crystal, with coexistence densities in the range ϕ ∈ [0.780 ± 0.002, 0.802 ± 0.003]. We find no evidence for stable rotator (or plastic) or nematic phases. We also generate the maximally random jammed (MRJ) packings of truncated tetrahedra, which may be regarded to be the glassy end state of a rapid compression of the liquid. Specifically, we systematically study the structural characteristics of the MRJ packings, including the centroidal pair correlation function, structure factor and orientational pair correlation

  18. Comparison between natural Rain drop size distributions and corresponding models near equilibrium state during warm rain

    NASA Astrophysics Data System (ADS)

    Barthes, Laurent; Mallet, Cécile

    2010-05-01

    Keywords: Rain Drop Size Distribution, Breakup, coalescence, disdrometer The study of the vertical evolution of raindrop size distributions (DSDs) during rainfall, from the freezing level isotherm to ground level, is a key to improving our understanding of the microphysics of rain. In numerous domains such as remote sensing, telecommunications, soil erosion, and the study of the rain's efficiency in 'washing' the atmosphere, the DSD plays an important role. Among the different processes affecting the evolution of DSD, breakup and coalescence are two of the most significant. Models of coalescence and breakup lead to equilibrium of the raindrop size distribution (DSD) after a fall through sufficient vertical height. At equilibrium, the DSD no longer evolves, and its shape is unique whatever the rain rate or LWC. This implies that the DSD is known, to within a multiplication constant. These models based on experimental measurements have been developed over the past 40 years. The Low and List (1982a,b) parameterization (hereinafter LL82) and the Greg M. McFarquhar (2004) model are both based on the same laboratory experiments, which lead to an equilibrium drop size distribution (EDSD) with two or three peaks, and an exponential tail with a slope of approximately Λ=65 cm-1. Numerous measurements using disdrometer collected in different climatic areas: Paris, France (Mars to October 2000), Iowa-City (April to October 2002), and Djougou (Benin June to September 2006) corresponding to 537 hours of rain period have shown that for high rain rates, close to a state of equilibrium, this slope lies between Λ=20 - 22 cm-1. This latter value is corroborated by others measurements found in the literature (Hu & Srivastava, 1995). Hu & Srivastava suggested that the Low and List parameterization may overestimate the effects of the breakup process. This hypothesis is in adequation with recent laboratory experiments (A.P. Barros 2008) in which the authors conclude that the number of

  19. A corresponding-states analysis of the liquid-vapor equilibrium properties of common water models

    NASA Astrophysics Data System (ADS)

    Fugel, Malte; Weiss, Volker C.

    2017-02-01

    Many atomistic potential models have been proposed to reproduce the properties of real water and to capture as many of its anomalies as possible. The large number of different models indicates that this task is by no means an easy one. Some models are reasonably successful for various properties, while others are designed to account for only a very few specific features of water accurately. Among the most popular models are SPC/E, TIP4P, TIP4P/2005, TIP4P/Ice, and TIP5P-E. Here, we report the equilibrium properties of the liquid-vapor coexistence, such as the densities of the liquid phase and the vapor phase, the interfacial tension between them, and the vapor pressure at saturation. From these data, the critical parameters are determined and subsequently used to cast the liquid-vapor coexistence properties into a corresponding-states form following Guggenheim's suggestions. Doing so reveals that the three TIP4P-based models display the same corresponding-states behavior and that the SPC/E model behaves quite similarly. Only the TIP5P-E model shows clear deviations from the corresponding-states properties of the other models. A comparison with data for real water shows that the reduced surface tension is well described, while the reduced coexistence curve is too wide. The models underestimate the critical compressibility factor and overestimate Guggenheim's ratio as well as the reduced boiling temperature (Guldberg's ratio). As demonstrated by the collapse of the data for the TIP4P-based models, these deviations are inherent to the specific model and cannot be corrected by a simple reparametrization. For comparison, the results for two recent polarizable models, HBP and BK3, are shown, and both models are seen to perform well in terms of absolute numbers and in a corresponding-states framework. The kind of analysis applied here can therefore be used as a guideline in the design of more accurate and yet simple multi-purpose models of water.

  20. Transition state theory demonstrated at the micron scale with out-of-equilibrium transport in a confined environment

    PubMed Central

    Vestergaard, Christian L.; Mikkelsen, Morten Bo; Reisner, Walter; Kristensen, Anders; Flyvbjerg, Henrik

    2016-01-01

    Transition state theory (TST) provides a simple interpretation of many thermally activated processes. It applies successfully on timescales and length scales that differ several orders of magnitude: to chemical reactions, breaking of chemical bonds, unfolding of proteins and RNA structures and polymers crossing entropic barriers. Here we apply TST to out-of-equilibrium transport through confined environments: the thermally activated translocation of single DNA molecules over an entropic barrier helped by an external force field. Reaction pathways are effectively one dimensional and so long that they are observable in a microscope. Reaction rates are so slow that transitions are recorded on video. We find sharp transition states that are independent of the applied force, similar to chemical bond rupture, as well as transition states that change location on the reaction pathway with the strength of the applied force. The states of equilibrium and transition are separated by micrometres as compared with angstroms/nanometres for chemical bonds. PMID:26732388

  1. Time-dependence ion charge state distributions of vacuum arcs: An interpretation involving atoms and charge exchange collisions

    SciTech Connect

    Anders, Andre

    2004-08-27

    Experimentally observed charge state distributions are known to be higher at the beginning of each arc discharge. Up to know, this has been attributed to cathode surface effects in terms of changes of temperature, chemical composition and spot mode. Here it is shown that the initial decay of charge states of cathodic arc plasmas may at least in part due to charge exchange collisions of ions with neutrals that gradually fill the discharge volume. Sources of neutrals may include evaporated atoms from macroparticles and still-hot craters of previously active arc spots. More importantly, atoms are also produced by energetic condensation of the cathodic arc plasma. Self-sputtering is significant when ions impact with near-normal angle of incidence, and ions have low sticking probability when impacting at oblique angle of incidence. Estimates show that the characteristic time for filling the near-cathode discharge volume agrees well with the charge state decay time, and the likelihood of charge exchange is reasonably large to be taken into account.

  2. State of charge monitoring methods for vanadium redox flow battery control

    NASA Astrophysics Data System (ADS)

    Skyllas-Kazacos, Maria; Kazacos, Michael

    2011-10-01

    During operation of redox flow batteries, differential transfer of ions and electrolyte across the membrane and gassing side reactions during charging, can lead to an imbalance between the two half-cells that results in loss of capacity. This capacity loss can be corrected by either simple remixing of the two solutions, or by chemical or electrochemical rebalancing. In order to develop automated electrolyte management systems therefore, the state-of-charge of each half-cell electrolyte needs to be known. In this study, two state-of-charge monitoring methods are investigated for use in the vanadium redox flow battery. The first method utilizes conductivity measurements to independently measure the state-of-charge of each half-cell electrolyte. The second method is based on spectrophotometric principles and uses the different colours of the charged and discharged anolyte and catholyte to monitor system balance and state-of charge of each half-cell of the VRB during operation.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    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.

  5. Nickel-Hydrogen Battery Fault Clearing at Low State of Charge

    NASA Technical Reports Server (NTRS)

    Lurie, C.

    1997-01-01

    Fault clearing currents were achieved and maintained at discharge rates from C/2 to C/3 at high and low states of charge. The fault clearing plateau voltage is strong function of: discharge current, and voltage-prior-to-the-fault-clearing-event and a weak function of state of charge. Voltage performance, for the range of conditions reported, is summarized.

  6. Double Charge Ordering States and Spin Ordering State Observed in a RFe2O4 System

    PubMed Central

    Sun, Fei; Wang, Rui; Aku-Leh, C.; Yang, H. X.; He, Rui; Zhao, Jimin

    2014-01-01

    Charge, spin, and lattice degrees of orderings are of great interest in the layered quantum material RFe2O4 (R = Y, Er, Yb, Tm, and Lu) system. Recently many unique properties have been found using various experimental methods. However so far the nature of the two-dimensional (2D) charge ordering (CO) state is not clear and no observation of its fine structure in energy has been reported. Here we report unambiguous observation of double 2D CO states at relatively high temperature in a polycrystalline Er0.1Yb0.9Fe2O4 using Raman scattering. The energy gaps between the 3D and the double 2D states are 170 meV (41.2 THz) and 193 meV (46.6 THz), respectively. We also observed a spin ordering (SO) state at below 210 K with characteristic energy of 45 meV (10.7 THz). Our investigation experimentally identified new fine structures of quantum orders in the system, which also extends the capability of optical methods in investigating other layered quantum materials. PMID:25234133

  7. ORBXYZ: a 3D single-particle orbit code for following charged-particle trajectories in equilibrium magnetic fields

    SciTech Connect

    Anderson, D.V.; Cohen, R.H.; Ferguson, J.R.; Johnston, B.M.; Sharp, C.B.; Willmann, P.A.

    1981-06-30

    The single particle orbit code, TIBRO, has been modified extensively to improve the interpolation methods used and to allow use of vector potential fields in the simulation of charged particle orbits on a 3D domain. A 3D cubic B-spline algorithm is used to generate spline coefficients used in the interpolation. Smooth and accurate field representations are obtained. When vector potential fields are used, the 3D cubic spline interpolation formula analytically generates the magnetic field used to push the particles. This field has del.BETA = 0 to computer roundoff. When magnetic induction is used the interpolation allows del.BETA does not equal 0, which can lead to significant nonphysical results. Presently the code assumes quadrupole symmetry, but this is not an essential feature of the code and could be easily removed for other applications. Many details pertaining to this code are given on microfiche accompanying this report.

  8. ORBXYZ: A 3D single-particle orbit code for following charged particle trajectories in equilibrium magnetic fields

    NASA Astrophysics Data System (ADS)

    Anderson, D. V.; Cohen, R. H.; Ferguson, J. R.; Johnston, B. M.; Sharp, C. B.; Willmann, P. A.

    1981-06-01

    The single particle orbit code, TIBRO, was modified extensively to improve the interpolation methods used and to allow use of vector potential fields in the simulation of charged particle orbits on a 3D domain. A 3D cubic B-spline algorithm is used to generate spline coefficients used in the interpolation. Smooth and accurate field representations are obtained. When vector potential fields are used, the 3D cubic spline interpolation formula analytically generates the magnetic field used to push the particles. This field has del.BETA = 0 to computer roundoff. When magnetic induction is used the interpolation allows del.BETA does not equal 0, which can lead to significant nonphysical results. Presently the code assumes quadrupole symmetry, but this is not an essential feature of the code and could be easily removed for other applications.

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

    PubMed

    Gross, Leo; Mohn, Fabian; Liljeroth, Peter; Repp, Jascha; Giessibl, Franz J; Meyer, Gerhard

    2009-06-12

    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 microscope (AFM) operated at 5 kelvin with oscillation amplitudes in the subangstrom regime. Charging of a gold atom by one electron charge increases the force on the AFM tip by a few piconewtons. Moreover, the local contact potential difference is shifted depending on the sign of the charge and allows the discrimination of positively charged, neutral, and negatively charged atoms. The combination of single-electron charge sensitivity and atomic lateral resolution should foster investigations of molecular electronics, photonics, catalysis, and solar photoconversion.

  10. Charge state distributions after K-shell photoionization of K and Ar atoms

    NASA Astrophysics Data System (ADS)

    Hertlein, Marcus; Belkacem, Ali; Cole, Kyra; Feinberg, Benedict; Maddi, Jason; Prior, Michael; Schriel, Ralf

    2003-05-01

    We have investigated K-shell photoionization of Ar and K at the Advanced Light Source to unravel the effect of the 4s electron of K on the relaxation of the K-shell hole. We measured the charge state distribution as a function of photon energy as it is varied across the respective K-edges of both atoms. Both Ar and K exhibit a very similar mean charge state after the interaction with the photons, with 4+ being the most probable charge state. However our first analysis shows a markedly different envelope of the charge state distribution. We will present the ratio of probabilities Ar(q+)/K(q+) for each charge state q as a function of the x-ray energy normalized to the K-edge energy of each atom.

  11. Delocalization and dielectric screening of charge transfer states in organic photovoltaic cells

    NASA Astrophysics Data System (ADS)

    Bernardo, B.; Cheyns, D.; Verreet, B.; Schaller, R. D.; Rand, B. P.; Giebink, N. C.

    2014-02-01

    Charge transfer (CT) states at a donor-acceptor heterojunction have a key role in the charge photogeneration process of organic solar cells, however, the mechanism by which these states dissociate efficiently into free carriers remains unclear. Here we explore the nature of these states in small molecule-fullerene bulk heterojunction photovoltaics with varying fullerene fraction and find that the CT energy scales with dielectric constant at high fullerene loading but that there is a threshold C60 crystallite size of ~4 nm below which the spatial extent of these states is reduced. Electroabsorption measurements indicate an increase in CT polarizability when C60 crystallite size exceeds this threshold, and that this change is correlated with increased charge separation yield supported by CT photoluminescence transients. These results support a model of charge separation via delocalized CT states independent of excess heterojunction offset driving energy and indicate that local fullerene crystallinity is critical to the charge separation process.

  12. Experimental determination of the steady-state charging probabilities and particle size conservation in non-radioactive and radioactive bipolar aerosol chargers in the size range of 5-40 nm

    NASA Astrophysics Data System (ADS)

    Kallinger, Peter; Szymanski, Wladyslaw W.

    2015-04-01

    Three bipolar aerosol chargers, an AC-corona (Electrical Ionizer 1090, MSP Corp.), a soft X-ray (Advanced Aerosol Neutralizer 3087, TSI Inc.), and an α-radiation-based 241Am charger (tapcon & analysesysteme), were investigated on their charging performance of airborne nanoparticles. The charging probabilities for negatively and positively charged particles and the particle size conservation were measured in the diameter range of 5-40 nm using sucrose nanoparticles. Chargers were operated under various flow conditions in the range of 0.6-5.0 liters per minute. For particular experimental conditions, some deviations from the chosen theoretical model were found for all chargers. For very small particle sizes, the AC-corona charger showed particle losses at low flow rates and did not reach steady-state charge equilibrium at high flow rates. However, for all chargers, operating conditions were identified where the bipolar charge equilibrium was achieved. Practically, excellent particle size conservation was found for all three chargers.

  13. Basophile: Accurate Fragment Charge State Prediction Improves Peptide Identification Rates

    SciTech Connect

    Wang, Dong; Dasari, Surendra; Chambers, Matthew C.; Holman, Jerry D.; Chen, Kan; Liebler, Daniel; Orton, Daniel J.; Purvine, Samuel O.; Monroe, Matthew E.; Chung, Chang Y.; Rose, Kristie L.; Tabb, David L.

    2013-03-07

    In shotgun proteomics, database search algorithms rely on fragmentation models to predict fragment ions that should be observed for a given peptide sequence. The most widely used strategy (Naive model) is oversimplified, cleaving all peptide bonds with equal probability to produce fragments of all charges below that of the precursor ion. More accurate models, based on fragmentation simulation, are too computationally intensive for on-the-fly use in database search algorithms. We have created an ordinal-regression-based model called Basophile that takes fragment size and basic residue distribution into account when determining the charge retention during CID/higher-energy collision induced dissociation (HCD) of charged peptides. This model improves the accuracy of predictions by reducing the number of unnecessary fragments that are routinely predicted for highly-charged precursors. Basophile increased the identification rates by 26% (on average) over the Naive model, when analyzing triply-charged precursors from ion trap data. Basophile achieves simplicity and speed by solving the prediction problem with an ordinal regression equation, which can be incorporated into any database search software for shotgun proteomic identification.

  14. Basophile: Accurate Fragment Charge State Prediction Improves Peptide Identification Rates

    PubMed Central

    Wang, Dong; Dasari, Surendra; Chambers, Matthew C.; Holman, Jerry D.; Chen, Kan; Liebler, Daniel C.; Orton, Daniel J.; Purvine, Samuel O.; Monroe, Matthew E.; Chung, Chang Y.; Rose, Kristie L.; Tabb, David L.

    2013-01-01

    In shotgun proteomics, database search algorithms rely on fragmentation models to predict fragment ions that should be observed for a given peptide sequence. The most widely used strategy (Naive model) is oversimplified, cleaving all peptide bonds with equal probability to produce fragments of all charges below that of the precursor ion. More accurate models, based on fragmentation simulation, are too computationally intensive for on-the-fly use in database search algorithms. We have created an ordinal-regression-based model called Basophile that takes fragment size and basic residue distribution into account when determining the charge retention during CID/higher-energy collision induced dissociation (HCD) of charged peptides. This model improves the accuracy of predictions by reducing the number of unnecessary fragments that are routinely predicted for highly-charged precursors. Basophile increased the identification rates by 26% (on average) over the Naive model, when analyzing triply-charged precursors from ion trap data. Basophile achieves simplicity and speed by solving the prediction problem with an ordinal regression equation, which can be incorporated into any database search software for shotgun proteomic identification. PMID:23499924

  15. Relevance of equilibrium in multifragmentation

    SciTech Connect

    Furuta, Takuya; Ono, Akira

    2009-01-15

    The relevance of equilibrium in a multifragmentation reaction of very central {sup 40}Ca + {sup 40}Ca collisions at 35 MeV/nucleon is investigated by using simulations of antisymmetrized molecular dynamics (AMD). Two types of ensembles are compared. One is the reaction ensemble of the states at each reaction time t in collision events simulated by AMD, and the other is the equilibrium ensemble prepared by solving the AMD equation of motion for a many-nucleon system confined in a container for a long time. The comparison of the ensembles is performed for the fragment charge distribution and the excitation energies. Our calculations show that there exists an equilibrium ensemble that well reproduces the reaction ensemble at each reaction time t for the investigated period 80{<=}t{<=}300 fm/c. However, there are some other observables that show discrepancies between the reaction and equilibrium ensembles. These may be interpreted as dynamical effects in the reaction. The usual static equilibrium at each instant is not realized since any equilibrium ensemble with the same volume as that of the reaction system cannot reproduce the fragment observables.

  16. Precursor charge state prediction for electron transfer dissociation tandem mass spectra.

    PubMed

    Sharma, Vagisha; Eng, Jimmy K; Feldman, Sergey; von Haller, Priska D; MacCoss, Michael J; Noble, William S

    2010-10-01

    Electron-transfer dissociation (ETD) induces fragmentation along the peptide backbone by transferring an electron from a radical anion to a protonated peptide. In contrast with collision-induced dissociation, side chains and modifications such as phosphorylation are left intact through the ETD process. Because the precursor charge state is an important input to MS/MS sequence database search tools, the ability to accurately determine the precursor charge is helpful for the identification process. Furthermore, because ETD can be applied to large, highly charged peptides, the need for accurate precursor charge state determination is magnified. Otherwise, each spectrum must be searched repeatedly using a large range of possible precursor charge states. To address this problem, we have developed an ETD charge state prediction tool based on support vector machine classifiers that is demonstrated to exhibit superior classification accuracy while minimizing the overall number of predicted charge states. The tool is freely available, open source, cross platform compatible, and demonstrated to perform well when compared with an existing charge state prediction tool. The program is available from http://code.google.com/p/etdz/.

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

    NASA Astrophysics Data System (ADS)

    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.

  18. Non-equilibrium of charged particles in swarms and plasmas—from binary collisions to plasma effects

    NASA Astrophysics Data System (ADS)

    Petrović, Z. Lj; Simonović, I.; Marjanović, S.; Bošnjaković, D.; Marić, D.; Malović, G.; Dujko, S.

    2017-01-01

    In this article we show three quite different examples of low-temperature plasmas, where one can follow the connection of the elementary binary processes (occurring at the nanoscopic scale) to the macroscopic discharge behavior and to its application. The first example is on the nature of the higher-order transport coefficient (second-order diffusion or skewness); how it may be used to improve the modelling of plasmas and also on how it may be used to discern details of the relevant cross sections. A prerequisite for such modeling and use of transport data is that the hydrodynamic approximation is applicable. In the second example, we show the actual development of avalanches in a resistive plate chamber particle detector by conducting kinetic modelling (although it may also be achieved by using swarm data). The current and deposited charge waveforms may be predicted accurately showing temporal resolution, which allows us to optimize detectors by adjusting the gas mixture composition and external fields. Here kinetic modeling is necessary to establish high accuracy and the details of the physics that supports fluid models that allows us to follow the transition to streamers. Finally, we show an example of positron traps filled with gas that, for all practical purposes, are a weakly ionized gas akin to swarms, and may be modelled in that fashion. However, low pressures dictate the need to apply full kinetic modelling and use the energy distribution function to explain the kinetics of the system. In this way, it is possible to confirm a well established phenomenology, but in a manner that allows precise quantitative comparisons and description, and thus open doors to a possible optimization.

  19. Basophile: Accurate Fragment Charge State Prediction Improves Peptide Identification Rates

    DOE PAGES

    Wang, Dong; Dasari, Surendra; Chambers, Matthew C.; ...

    2013-03-07

    In shotgun proteomics, database search algorithms rely on fragmentation models to predict fragment ions that should be observed for a given peptide sequence. The most widely used strategy (Naive model) is oversimplified, cleaving all peptide bonds with equal probability to produce fragments of all charges below that of the precursor ion. More accurate models, based on fragmentation simulation, are too computationally intensive for on-the-fly use in database search algorithms. We have created an ordinal-regression-based model called Basophile that takes fragment size and basic residue distribution into account when determining the charge retention during CID/higher-energy collision induced dissociation (HCD) of chargedmore » peptides. This model improves the accuracy of predictions by reducing the number of unnecessary fragments that are routinely predicted for highly-charged precursors. Basophile increased the identification rates by 26% (on average) over the Naive model, when analyzing triply-charged precursors from ion trap data. Basophile achieves simplicity and speed by solving the prediction problem with an ordinal regression equation, which can be incorporated into any database search software for shotgun proteomic identification.« less

  20. Improved solid state electron-charge-storage device

    NASA Technical Reports Server (NTRS)

    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.

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

    PubMed

    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.

  2. General and Partial Equilibrium Modeling of Sectoral Policies to Address Climate Change in the United States

    SciTech Connect

    Pizer, William; Burtraw, Dallas; Harrington, Winston; Newell, Richard; Sanchirico, James; Toman, Michael

    2003-03-31

    This document provides technical documentation for work using detailed sectoral models to calibrate a general equilibrium analysis of market and non-market sectoral policies to address climate change. Results of this work can be found in the companion paper, "Modeling Costs of Economy-wide versus Sectoral Climate Policies Using Combined Aggregate-Sectoral Model".

  3. Dark Matter and Baryon Asymmetry production from out-of-equilibrium decays of Supersymmetric states

    NASA Astrophysics Data System (ADS)

    Arcadi, Giorgio

    2016-02-01

    We will review the main aspects of a mechanism for the contemporary generation of the baryon and Dark Matter abundances from the out-of-equilibrium decay of a WIMP-like mother particle and briefly discuss a concrete realization in a Supersymmetric scenario.

  4. Minimization of a free-energy-like potential for non-equilibrium flow systems at steady state

    PubMed Central

    Niven, Robert K.

    2010-01-01

    This study examines a new formulation of non-equilibrium thermodynamics, which gives a conditional derivation of the ‘maximum entropy production’ (MEP) principle for flow and/or chemical reaction systems at steady state. The analysis uses a dimensionless potential function ϕst for non-equilibrium systems, analogous to the free energy concept of equilibrium thermodynamics. Spontaneous reductions in ϕst arise from increases in the ‘flux entropy’ of the system—a measure of the variability of the fluxes—or in the local entropy production; conditionally, depending on the behaviour of the flux entropy, the formulation reduces to the MEP principle. The inferred steady state is also shown to exhibit high variability in its instantaneous fluxes and rates, consistent with the observed behaviour of turbulent fluid flow, heat convection and biological systems; one consequence is the coexistence of energy producers and consumers in ecological systems. The different paths for attaining steady state are also classified. PMID:20368250

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

    SciTech Connect

    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

    NASA Technical Reports Server (NTRS)

    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. Switching of the fluorescence emission of single molecules between the locally excited and charge transfer states

    NASA Astrophysics Data System (ADS)

    Angeles Izquierdo, M.; Bell, Toby D. M.; Habuchi, Satoshi; Fron, Eduard; Pilot, Roberto; Vosch, Tom; De Feyter, Steven; Verhoeven, Jan; Jacob, Josemon; Müllen, Klaus; Hofkens, Johan; De Schryver, Frans C.

    2005-01-01

    A novel perylene imide and oligo-pentaphenyl bisfluorene containing molecule is shown to undergo electron transfer to form an emissive charge transfer state in di-benzyl ether and THF. At the single molecule level in a PMMA film, fluorescence spectra characteristic of both emissive states (locally excited and charge transfer) are observed with 44% of the molecules studied showing switching between the two states. These results demonstrate that charge transfer fluorescence from single molecules can be used to report on the properties and dynamics of a molecule's immediate surroundings or nano-environment.

  8. Charge state stabilization of shallow nitrogen vacancy centers in diamond by oxygen surface modification

    NASA Astrophysics Data System (ADS)

    Yamano, Hayate; Kawai, Sora; Kato, Kanami; Kageura, Taisuke; Inaba, Masafumi; Okada, Takuma; Higashimata, Itaru; Haruyama, Moriyoshi; Tanii, Takashi; Yamada, Keisuke; Onoda, Shinobu; Kada, Wataru; Hanaizumi, Osamu; Teraji, Tokuyuki; Isoya, Junichi; Kawarada, Hiroshi

    2017-04-01

    We investigated the charge state stability and coherence properties of near-surface single nitrogen vacancy (NV) centers in 12C-enriched diamond for potential use in nanoscale magnetic field sensing applications. The stability of charge states in negatively charged NV centers (NV‑) was evaluated using one of the pulsed optically detected magnetic resonance measurements, Rabi oscillation measurements. During the accumulation of Rabi oscillations, an unstable shallow NV‑ was converted to a neutral state. As a result, the contrast of Rabi oscillations degraded, depending on charge state stability. We stabilized the NV‑ state of very shallow NV centers (∼2.6 ± 1.1 nm from the surface) created by 1.2 keV nitrogen ion implantation by diamond surface modification, UV/ozone exposure, and oxygen annealing. This improvement indicates that we can suppress the upward surface band bending and surface potential fluctuations through Fermi level pinning originating from oxygen-terminated diamond surfaces.

  9. Determining charge state of graphene vacancy by noncontact atomic force microscopy and first-principles calculations.

    PubMed

    Liu, Y; Weinert, M; Li, L

    2015-01-21

    Graphene vacancies are engineered for novel functionalities, however, the charge state of these defects, the key parameter that is vital to charge transfer during chemical reactions and carrier scattering, is generally unknown. Here, we carried out atomic resolution imaging of graphene vacancy defects created by Ar plasma using noncontact atomic force microscopy, and made the first determination of their charge state by local contact potential difference measurements. Combined with density functional theory calculations, we show that graphene vacancies are typically positively charged, with size-dependent charge states that are not necessarily integer-valued. These findings provide new insights into carrier scattering by vacancy defects in graphene, as well as its functionalization for chemical sensing and catalysis, and underline the tunability of these functions by controlling the size of vacancy defect.

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

    PubMed

    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.

  11. Wave functions for continuum states of charged fragments

    NASA Astrophysics Data System (ADS)

    Ward, S. J.; Macek, J. H.

    1994-02-01

    Briggs's representation [Phys. Rev. A 41, 539 (1990)] of the Mo/ller wave operator for multiparticle wave functions is applied to charged fragments using a limiting procedure to correctly account for the slow decrease of Coulomb interactions with distance. Approximate wave functions used to model (e,2e) angular correlation measurments are obtained. Computed and measured angular correlations are compared to clarify the region of applicability of two approximations.

  12. A high-charge-state plasma neutralizer for an energetic H/sup -/ beam

    SciTech Connect

    Schlachter, A.S.; Leung, K.N.; Stearns, J.W.; Olson, R.E.

    1986-10-01

    A high-charge-state plasma neutralizer for a beam of energetic H/sup -/ ions offers the potential of high optimum neutralization efficiency (approx.85%) relative to a gas target (50 to 60%), and considerably reduced target thickness. We have calculated cross sections for charge-changing interactions of fast H/sup -/ and H/sup 0/ in collision with highly charged ions using a semiclassical model for H/sup -/, and the Classical-Trajectory Monte Carlo method plus Born calculations, to obtain correct asymptotic cross sections in the high-energy limit. Charge-state fractions as a function of plasma line density, and f/sub 0//sup max/, the maximum H/sup 0/ fraction, are calculated using these cross sections; we find that f/sub 0//sup mx/ approx. = 85% for ion charge states in the range 1+ to 10+, and that target ion line density for f/sub 0//sup max/ decreases approximately as the square of the plasma ion charge state. The maximum neutral fraction is also high for a partially ionized plasma. We have built a small multicusp plasma generator to use a a plasma neutralizer; preliminary results show that the plasma contains argon ions with an average charge state between 2+ and 3+ for a steady-state discharge.

  13. Charged Boundary States in a Z3 Extended Minimal String

    NASA Astrophysics Data System (ADS)

    Kawamoto, Shoichi; Wheater, John F.; Wilshin, Simon

    In this poster, we study the boundary states of the three-state Potts model coupled to two dimensional gravity, which we call Z3 extended minimal string. We find that two different boundary states of this model can be identified with a shift of the boundary cosmological constant. We also point out that the boundary states are classified with respect to the symmetry of the theory. This presentation is based on Ref. 1 to appear soon.

  14. Signature of a continuous quantum phase transition in non-equilibrium energy absorption: Footprints of criticality on higher excited states

    PubMed Central

    Bhattacharyya, Sirshendu; Dasgupta, Subinay; Das, Arnab

    2015-01-01

    Understanding phase transitions in quantum matters constitutes a significant part of present day condensed matter physics. Quantum phase transitions concern ground state properties of many-body systems, and hence their signatures are expected to be pronounced in low-energy states. Here we report signature of a quantum critical point manifested in strongly out-of-equilibrium states with finite energy density with respect to the ground state and extensive (subsystem) entanglement entropy, generated by an external pulse. These non-equilibrium states are evidently completely disordered (e.g., paramagnetic in case of a magnetic ordering transition). The pulse is applied by switching a coupling of the Hamiltonian from an initial value (λI) to a final value (λF) for sufficiently long time and back again. The signature appears as non-analyticities (kinks) in the energy absorbed by the system from the pulse as a function of λF at critical-points (i.e., at values of λF corresponding to static critical-points of the system). As one excites higher and higher eigenstates of the final Hamiltonian H(λF) by increasing the pulse height , the non-analyticity grows stronger monotonically with it. This implies adding contributions from higher eigenstates help magnifying the non-analyticity, indicating strong imprint of the critical-point on them. Our findings are grounded on exact analytical results derived for Ising and XY chains in transverse field. PMID:26568306

  15. Signature of a continuous quantum phase transition in non-equilibrium energy absorption: Footprints of criticality on higher excited states.

    PubMed

    Bhattacharyya, Sirshendu; Dasgupta, Subinay; Das, Arnab

    2015-11-16

    Understanding phase transitions in quantum matters constitutes a significant part of present day condensed matter physics. Quantum phase transitions concern ground state properties of many-body systems, and hence their signatures are expected to be pronounced in low-energy states. Here we report signature of a quantum critical point manifested in strongly out-of-equilibrium states with finite energy density with respect to the ground state and extensive (subsystem) entanglement entropy, generated by an external pulse. These non-equilibrium states are evidently completely disordered (e.g., paramagnetic in case of a magnetic ordering transition). The pulse is applied by switching a coupling of the Hamiltonian from an initial value (λI) to a final value (λF) for sufficiently long time and back again. The signature appears as non-analyticities (kinks) in the energy absorbed by the system from the pulse as a function of λF at critical-points (i.e., at values of λF corresponding to static critical-points of the system). As one excites higher and higher eigenstates of the final Hamiltonian H(λF) by increasing the pulse height (|λF - λI|), the non-analyticity grows stronger monotonically with it. This implies adding contributions from higher eigenstates help magnifying the non-analyticity, indicating strong imprint of the critical-point on them. Our findings are grounded on exact analytical results derived for Ising and XY chains in transverse field.

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

    NASA Astrophysics Data System (ADS)

    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.

  17. Charge States of y Ions in the Collision-Induced Dissociation of Doubly Charged Tryptic Peptide Ions

    NASA Astrophysics Data System (ADS)

    Neta, Pedatsur; Stein, Stephen E.

    2011-05-01

    Bonds that break in collision-induced dissociation (CID) are often weakened by a nearby proton, which can, in principle, be carried away by either of the product fragments. Since peptide backbone dissociation is commonly charge-directed, relative intensities of charge states of product y- and b-ions depend on the final location of that proton. This study examines y-ion charge distributions for dissociation of doubly charged peptide ions, using a large reference library of peptide ion fragmentation generated from ion-trap CID of peptide ions from tryptic digests. Trends in relative intensities of y2+ and y1+ ions are examined as a function of bond cleavage position, peptide length (n), residues on either side of the bond and effects of residues remote from the bond. It is found that yn-2/b2 dissociation is the most sensitive to adjacent amino acids, that y2+/y1+ steadily increase with increasing peptide length, that the N-terminal amino acid can have a major influence in all dissociations, and in some cases other residues remote from the bond cleavage exert significant effects. Good correlation is found between the values of y2+/y1+ for the peptide and the proton affinities of the amino acids present at the dissociating peptide bond. A few deviations from this correlation are rationalized by specific effects of the amino acid residues. These correlations can be used to estimate trends in y2+/y1+ ratios for peptide ions from amino acid proton affinities.

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

    SciTech Connect

    Anders, A.; Brown, I.; MacGill, R.; Dickinson, M.

    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.

  19. A TDDFT study on the excited-state intramolecular proton transfer (ESIPT): excited-state equilibrium induced by electron density swing.

    PubMed

    Zhang, Mingzhen; Yang, Dapeng; Ren, Baiping; Wang, Dandan

    2013-07-01

    One important issue of current interest is the excited-state equilibrium for some ESITP dyes. However, so far, the information about the driving forces for excited-state equilibrium is very limited. In this work, the time-dependent density functional theory (TDDFT) method was employed to investigate the nature of the excited-state intramolecular proton transfer (ESIPT). The geometric structures, vibrational frequencies, frontier molecular orbitals (MOs) and the potential-energy curves for 1-hydroxy-11H-benzo[b]fluoren-11-one (HHBF) in the ground and the first singlet excited state were calculated. Analysis of the results shows that the intramolecular hydrogen bond of HHBF is strengthened from E to E*. Moreover, it is found that electron density swing between the proton acceptor and donor provides the driving forces for the forward and backward ESIPT, enabling the excited-state equilibrium to be established. Furthermore, we proposed that the photoexcitation and the interchange of position for electron-donating and electron-withdrawing groups are the main reasons for the electron density swing. The potential-energy curves suggest that the forward ESIPT and backward ESIPT may happen on the similar timescale, which is faster than the fluorescence decay of both E* and K* forms.

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  3. High-sensitivity single NV magnetometry by spin-to-charge state mapping

    NASA Astrophysics Data System (ADS)

    Jaskula, Jean-Christophe; Shields, Brendan; Bauch, Erik; Lukin, Mikhail; Walsworth, Ronald; Trifonov, Alexei

    2015-05-01

    Nitrogen-Vacancy (NV) centers in diamond are atom-like quantum system in a solid state matrix whom its structure allows optical readout of the electronic spin. However, the optimal duration of optical readout is limited by a singlet state lifetime making single shot spin readout out of reach. On the other side, the NV center charge state readout can be extremely efficient (up to 99% fidelity) by using excitation at 594 nm. We will present a new method of spin readout utilizing a spin-depending photoionization process to map the electronic spin state of the NV onto the its charge state. Moreover, pre-selection on the charged state allows to minimize data acquisition time. This scheme improves single NV AC magnetometry by a factor of 5 and will benefit other single NV center experiments as well.

  4. A Note on the Relationship between Temperature and Water Vapor in Quasi-Equilibrium and Climate States

    NASA Technical Reports Server (NTRS)

    Shie, C.-L.; Shie, C.-L.; Tao, W.-K.; Simpson, J.; Sui, C.-H.

    2005-01-01

    An ideal and simple formulation is successfully derived that well represents a quasi-linear relationship found between the domain-averaged water vapor, q (mm), and temperature, T (K), fields obtained from a series of quasi-equilibrium (long-term) simulations for the Tropics using the two-dimensional Goddard Cumulus Ensemble (GCE) model. Earlier model work showed that the forced maintenance of two different wind profiles in the Tropics leads to two different equilibrium states. Investigating this finding required investigation of the slope of the moisture-temperature relations, which turns out to be linear in the Tropics. The extra-tropical climate equilibriums become more complex, but insight on modeling sensitivity can be obtained by linear stepwise regression of the integrated temperature and humidity. A globally curvilinear moisture-temperature distribution, similar to the famous Clausius-Clapeyron curve (i.e., saturated water vapor pressure versus temperature), is then found in this study. Such a genuine finding clarifies that the dynamics are crucial to the climate (shown in the earlier work) but the thermodynamics adjust. The range of validity of this result is further examined herein. The GCE-modeled tropical domain-averaged q and T fields form a linearly-regressed "q-T" slope that genuinely resides within an ideal range of slopes obtained from the aforementioned formulation. A quantity (denoted as dC2/dC1) representing the derivative between the static energy densities due to temperature (C2) and water vapor (C1) for various quasi-equilibrium states can also be obtained. A dC2/dC1 value near unity obtained for the GCE-modeled tropical simulations implies that the static energy densities due to moisture and temperature only differ by a pure constant for various equilibrium states. An overall q-T relation also including extra-tropical regions is, however, found to have a curvilinear relationship. Accordingly, warm/moist regions favor change in water vapor

  5. Cumulants and large deviations of the current through non-equilibrium steady states

    NASA Astrophysics Data System (ADS)

    Bodineau, Thierry; Derrida, Bernard

    2007-06-01

    Using a generalisation of detailed balance for systems maintained out of equilibrium by contact with 2 reservoirs at unequal temperatures or at unequal densities, one can recover the fluctuation theorem for the large deviation function of the current. For large diffusive systems, we show how the large deviation function of the current can be computed using a simple additivity principle. The validity of this additivity principle and the occurrence of phase transitions are discussed in the framework of the macroscopic fluctuation theory. To cite this article: T. Bodineau, B. Derrida, C. R. Physique 8 (2007).

  6. Calculation of NARM's equilibrium with Peng-Robinson equation of state

    NASA Astrophysics Data System (ADS)

    Li, Tingxun; Guo, Kaihua; Wang, Ruzhu; Fan, Shuanshi

    2001-04-01

    The liquid molar volumes of nonazeotropic refrigerant mixtures (NARM), calculated with Peng Robinson (PR) equation, were compared with vapor -liquid equilibrium experimental data in this paper. Provided with co-reaction coefficient k ij , the discrepancies of liquid molar volume data for R22+R114 and R22+R142b using PR equation are 7.7% and 8.1%, respectively. When HBT (Hankinson-Brobst-Thomson) equation was joined with PR equation, the deviations are reduced to less than 1.5% for both R22+R114 and R22+R142b.

  7. Anomalous charge and negative-charge-transfer insulating state in cuprate chain compound KCuO2

    NASA Astrophysics Data System (ADS)

    Choudhury, D.; Rivero, P.; Meyers, D.; Liu, X.; Cao, Y.; Middey, S.; Whitaker, M. J.; Barraza-Lopez, S.; Freeland, J. W.; Greenblatt, M.; Chakhalian, J.

    2015-11-01

    Using a combination of x-ray absorption spectroscopy (XAS) experiments and first-principles calculations, we demonstrate that insulating KCuO2 contains Cu in an unusually high formal 3+ valence state, and the ligand-to-metal (O-to-Cu) charge-transfer energy is intriguingly negative (Δ ˜-1.5 eV) and has a dominant (˜60 % ) ligand-hole character in the ground state akin to the high Tc cuprate Zhang-Rice state. Unlike most other formal Cu3 + compounds, the Cu 2 p XAS spectra of KCuO2 exhibit pronounced 3 d8 (Cu3 +) multiplet structures, which account for ˜40 % of its ground state wave function. Ab initio calculations elucidate the origin of the band gap in KCuO2 as arising primarily from strong intracluster Cu 3 d -O 2 p hybridizations (tpd); the value of the band gap decreases with a reduced value of tpd. Further, unlike conventional negative-charge-transfer insulators, the band gap in KCuO2 persists even for vanishing values of Coulomb repulsion U , underscoring the importance of single-particle band-structure effects connected to the one-dimensional nature of the compound.

  8. Incommensurate charge ordered states in the t–t‧–J model

    NASA Astrophysics Data System (ADS)

    Choubey, Peayush; Tu, Wei-Lin; Lee, Ting-Kuo; Hirschfeld, P. J.

    2017-01-01

    We study the incommensurate charge ordered states in the t{--}{t}\\prime {--}J model using the Gutzwiller mean field theory on large systems. In particular, we explore the properties of incommensurate charge modulated states referred to as nodal pair density waves (nPDW) in the literature. nPDW states intertwine site and bond charge order with modulated d-wave pair order, and are characterized by a nonzero amplitude of uniform pairing; they also manifest a dominant intra-unit cell d-density wave form factor. To compare with a recent scanning tunneling microscopy (STM) study (Hamidian et al 2015 Nat. Phys. 12 150) of the cuprate superconductor BSCCO-2212, we compute the continuum local density of states (LDOS) at a typical STM tip height using the Wannier function based approach. By Fourier transforming Cu and O sub-lattice LDOS we also obtain bias-dependent intra-unit cell form factors and spatial phase difference. We find that in the nPDW state the behavior of form factors and spatial phase difference as a function of energy agrees remarkably well with the experiment.This is in contrast to commensurate charge modulated states, which we show do not agree with experiment. We propose that the nPDW states are good candidates for the charge density wave phase observed in the superconducting state of underdoped cuprates.

  9. Processing and charge state engineering of MoOx

    NASA Astrophysics Data System (ADS)

    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.

  10. Predicting equilibrium states with Reynolds stress closures in channel flow and homogeneous shear flow

    NASA Technical Reports Server (NTRS)

    Abid, R.; Speziale, C. G.

    1992-01-01

    Turbulent channel flow and homogeneous shear flow have served as basic building block flows for the testing and calibration of Reynolds stress models. A direct theoretical connection is made between homogeneous shear flow in equilibrium and the log-layer of fully-developed turbulent channel flow. It is shown that if a second-order closure model is calibrated to yield good equilibrium values for homogeneous shear flow it will also yield good results for the log-layer of channel flow provided that the Rotta coefficient is not too far removed from one. Most of the commonly used second-order closure models introduce an ad hoc wall reflection term in order to mask deficient predictions for the log-layer of channel flow that arise either from an inaccurate calibration of homogeneous shear flow or from the use of a Rotta coefficient that is too large. Illustrative model calculations are presented to demonstrate this point which has important implications for turbulence modeling.

  11. Two-phase equilibrium states in individual Cu-Ni nanoparticles: size, depletion and hysteresis effects.

    PubMed

    Shirinyan, Aram S

    2015-01-01

    In isolated bimetallic nanoscale systems the limit amount of matter and surface-induced size effects can change the thermodynamics of first-order phase transformation. In this paper we present theoretical modification of Gibbs free energy concept describing first-order phase transformation of binary alloyed nanoparticles taking into account size effects as well as depletion and hysteresis effects. In such a way the hysteresis in a form of nonsymmetry for forth and back transforming paths takes place; compositional splitting and the loops-like splitted path on the size dependent temperature-composition phase diagram occur. Our calculations for individual Cu-Ni nanoparticle show that one must differentiate the solubility curves and the equilibrium loops (discussed here in term of solidification and melting loops). For the first time we have calculated and present here on the temperature-composition phase diagram the nanomelting loop at the size of 80 nm and the nanosolidification loop at the size of 25 nm for an individual Cu-Ni nanoparticle. So we observe the difference between the size-dependent phase diagram and solubility diagram, between two-phase equilibrium curves and solubility curves; also intersection of nanoliquidus and nanosolidus is available. These findings lead to the necessity to reconsider such basic concepts in materials science as phase diagram and solubility diagram.

  12. 20 CFR 416.2161 - Charges to States.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... eligibility determinations. (3) The State must pay our full additional cost for statistical or other studies... for Medicaid purposes and for statistical or other studies and any other services....

  13. Minimal transition state charge stabilization of the oxyanion during peptide bond formation by the ribosome.

    PubMed

    Carrasco, Nicolas; Hiller, David A; Strobel, Scott A

    2011-12-06

    Peptide bond formation during ribosomal protein synthesis involves an aminolysis reaction between the aminoacyl α-amino group and the carbonyl ester of the growing peptide via a transition state with a developing negative charge, the oxyanion. Structural and molecular dynamic studies have suggested that the ribosome may stabilize the oxyanion in the transition state of peptide bond formation via a highly ordered water molecule. To biochemically investigate this mechanistic hypothesis, we estimated the energetic contribution to catalytic charge stabilization of the oxyanion using a series of transition state mimics that contain different charge distributions and hydrogen bond potential on the functional group mimicking the oxyanion. Inhibitors containing an oxyanion mimic that carried a neutral charge and a mimic that preserved the negative charge but could not form hydrogen bonds had less than a 3-fold effect on inhibitor binding affinity. These observations argue that the ribosome provides minimal transition state charge stabilization to the oxyanion during peptide bond formation via the water molecule. This is in contrast to the substantial level of oxyanion stabilization provided by serine proteases. This suggests that the oxyanion may be neutralized via a proton shuttle, resulting in an uncharged transition state.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    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.

  16. Application of equilibrium chemistry and the Williamsburg equation of state to HMX-based explosives

    NASA Astrophysics Data System (ADS)

    Braithwaite, M.; Swift, D. C.

    1999-06-01

    Thermodynamic equations of state have been demonstrated to give reasonable predictions of the species and states in the reaction products of energetic materials. The Williamsburg is a physically-based algebraic form for an equation of state. The Williamsburg is being used to interpolate and extrapolate a wide-ranging equation of state from a smaller set of chemical calculations of HMX-based explosives. These equations of state will be compared with experiments on explosive performance. Extensions to the Williamsburg form, necessary to treat processes such as carbon condensation in TATB-based explosives, will be discussed.

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

    SciTech Connect

    Eberly, Brandon M.

    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.

  18. Atomic Charges and the Electrostatic Potential Are Ill-Defined in Degenerate Ground States.

    PubMed

    Bultinck, Patrick; Cardenas, Carlos; Fuentealba, Patricio; Johnson, Paul A; Ayers, Paul W

    2013-11-12

    A system in a spatially degenerate ground state responds in a qualitatively different way to positive and negative point charges. This means that the molecular electrostatic potential is ill-defined for degenerate ground states due to the ill-defined nature of the electron density. It also means that it is impossible, in practice, to define fixed atomic charges for molecular mechanics simulations of molecules with (quasi-)degenerate ground states. Atomic-polarizability-based models and electronegativity-equalization-type models for molecular polarization also fail to capture this effect. We demonstrate the ambiguity in the electrostatic potential using several molecules of different degree of degeneracy, quasi-degeneracy, and symmetry.

  19. Charge state distribution of anomalous oxygen ions in low Earth orbit during solar quiescence.

    PubMed

    Marenny, A M; Guertzen, G P; Nymmik, R A

    1990-01-01

    A new method of evaluating the charge state distribution of cosmic ray heavy ions, using a measured ratio of particle fluxes observed in two different satellite orbits passing through the Earth's magnetosphere, is described. The measurements of heavy ions were performed simultaneously on the Cosmos 1882 (orbital inclination 82 degrees) and Cosmos 1887 (inclination 62.3 degrees) satellites during September-October 1987. Solid state nuclear track detector stacks were used for the registration of C, N, O and heavier ions. After comparing the data of the two experiments with theoretical calculations, the charge state of galactic and anomalous heavy ions was derived.

  20. Dominant role of local dipolar interactions in phosphate binding to a receptor cleft with an electronegative charge surface: equilibrium, kinetic, and crystallographic studies.

    PubMed

    Ledvina, P S; Tsai, A L; Wang, Z; Koehl, E; Quiocho, F A

    1998-12-01

    Stringent specificity and complementarity between the receptor, a periplasmic phosphate-binding protein (PBP) with a two-domain structure, and the completely buried and dehydrated phosphate are achieved by hydrogen bonding or dipolar interactions. We recently found that the surface charge potential of the cleft between the two domains that contains the anion binding site is intensely electronegative. This novel finding prompted the study reported here of the effect of ionic strength on the equilibrium and rapid kinetics of phosphate binding. To facilitate this study, Ala197, located on the edge of the cleft, was replaced by a Trp residue (A197W PBP) to generate a fluorescence reporter group. The A197W PBP-phosphate complex retains wild-type Kd and X-ray structure beyond the replacement residue. The Kd (0.18 microM) at no salt is increased by 20-fold at greater than 0.30 M NaCl. Stopped-flow fluorescence kinetic studies indicate a two-step binding process: (1) The phosphate (L) binds, at near diffusion-controlled rate, to the open cleft form (Po) of PBP to produce an intermediate, PoL. This rate decreases with increasing ionic strength. (2) The intermediate isomerizes to the closed-conformation form, PcL. The results indicate that the high specificity, affinity, and rate of phosphate binding are not influenced by the noncomplementary electronegative surface potential of the cleft. That binding depends almost entirely on local dipolar interactions with the receptor has important ramification in electrostatic interactions in protein structures and in ligand recognition.

  1. Dominant role of local dipolar interactions in phosphate binding to a receptor cleft with an electronegative charge surface: equilibrium, kinetic, and crystallographic studies.

    PubMed Central

    Ledvina, P. S.; Tsai, A. L.; Wang, Z.; Koehl, E.; Quiocho, F. A.

    1998-01-01

    Stringent specificity and complementarity between the receptor, a periplasmic phosphate-binding protein (PBP) with a two-domain structure, and the completely buried and dehydrated phosphate are achieved by hydrogen bonding or dipolar interactions. We recently found that the surface charge potential of the cleft between the two domains that contains the anion binding site is intensely electronegative. This novel finding prompted the study reported here of the effect of ionic strength on the equilibrium and rapid kinetics of phosphate binding. To facilitate this study, Ala197, located on the edge of the cleft, was replaced by a Trp residue (A197W PBP) to generate a fluorescence reporter group. The A197W PBP-phosphate complex retains wild-type Kd and X-ray structure beyond the replacement residue. The Kd (0.18 microM) at no salt is increased by 20-fold at greater than 0.30 M NaCl. Stopped-flow fluorescence kinetic studies indicate a two-step binding process: (1) The phosphate (L) binds, at near diffusion-controlled rate, to the open cleft form (Po) of PBP to produce an intermediate, PoL. This rate decreases with increasing ionic strength. (2) The intermediate isomerizes to the closed-conformation form, PcL. The results indicate that the high specificity, affinity, and rate of phosphate binding are not influenced by the noncomplementary electronegative surface potential of the cleft. That binding depends almost entirely on local dipolar interactions with the receptor has important ramification in electrostatic interactions in protein structures and in ligand recognition. PMID:9865949

  2. New Estimates of Inferred Ionic Charge States for Solar Energetic Particle Events with ACE and STEREO

    NASA Astrophysics Data System (ADS)

    Labrador, A. W.; Sollitt, L. S.; Cohen, C. M.; Cummings, A. C.; Leske, R. A.; Mason, G. M.; Mewaldt, R. A.; Stone, E.; von Rosenvinge, T. T.; Wiedenbeck, M. E.

    2012-12-01

    Solar energetic particle (SEP) mean ionic charge states can depend on source temperatures and populations (e.g. seed populations) and conditions during acceleration and transport such as stripping. Multi-spacecraft observations of charge states from widely separated spacecraft may reveal evidence for seed populations that vary with longitude. In this presentation, we report new estimates of inferred high energy ionic charge states using the Sollitt et al. (2008) method that fits SEP energy-dependent decay times for SEP event elements to derive mean charge states. In the method, intensity decay times during SEP events are fitted for each element for various energies, and then the energy dependence of the decay times is fitted for each element. Finally, charge-to-mass ratios relative to that of a calibration element (carbon in this case) are obtained, and when Q(C)=5.9 is assumed for calibration, mean charge states for other elements can be inferred. Previously, ACE/SIS and ACE/ULEIS data were applied to three SEP events (Nov. 6, 1997; Nov. 4, 2001; Apr. 21, 2002) with this method, and last year, we reported new results for the Dec. 6, 2006 SEP event compatible with SAMPEX/MAST results. Additional work continues to generalize and extend the software to use publicly available online data from ACE and the two STEREO spacecraft. Energy ranges are those covered by the instruments on ACE (e.g. reference element C at <.1 MeV/nuc from ULEIS to ~64 MeV/nuc from SIS) and on STEREO (e.g. C at 3.2 - 33 MeV/nuc from LET). Initial candidate SEP events for multi-spacecraft charge state estimates are those of Mar. 8, 2011, Mar. 21, 2011, Jan. 24, 2012, and Mar. 4, 2012. Results from events observed by single spacecraft may also be reported.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

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

    2017-03-01

    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.

  5. Charging of a conducting sphere in a weakly ionized collisional plasma: Temporal dynamics and stationary state

    SciTech Connect

    Grach, V. S. Garasev, M. A.

    2015-07-15

    We consider the interaction of a isolated conducting sphere with a collisional weakly ionized plasma in an external field. We assume that the plasma consists of two species of ions neglecting of electrons. We take into account charging of the sphere due to sedimentation of plasma ions on it, the field of the sphere charge and the space charge, as well as recombination and molecular diffusion. The nonstationary problem of interaction of the sphere with the surrounding plasma is solved numerically. The temporal dynamics of the sphere charge and plasma perturbations is analyzed, as well as the properties of the stationary state. It is shown that the duration of transient period is determined by the recombination time and by the reverse conductivity of ions. The temporal dynamics of the sphere charge and plasma perturbations is determined by the intensity of recombination processes relative to the influence of the space charge field and diffusion. The stationary absolute value of the sphere charge increases linearly with the external electric field, decreases with the relative intensity of recombination processes and increases in the presence of substantial diffusion. The scales of the perturbed region in the plasma are determined by the radius of the sphere, the external field, the effect of diffusion, and the relative intensity of recombination processes. In the limiting case of the absence of molecular diffusion and a strong external field, the properties of the stationary state coincide with those obtained earlier as a result of approximate solution.

  6. Charge state separation for protein applications using a quadrupole time-of-flight mass spectrometer.

    PubMed

    Chernushevich, I V; Fell, L M; Bloomfield, N; Metalnikov, P S; Loboda, A V

    2003-01-01

    A novel method for separating ions according to their charge state using a quadrupole time-of-flight mass spectrometer is presented. The benefits of charge state separation are particularly apparent in protein identification applications at low femtomole concentration levels, where in conventional TOF MS spectra peptide ions are often lost in a sea of chemical noise. When doubly and triply charged tryptic peptide ions need to be filtered from singly charged background ions, the latter are suppressed by two to three orders of magnitude, while from 10-50% of multiply charged ions remain. The suppression of chemical noise reduces the need for chromatography and can make this experimental approach the electrospray equivalent of conventional MALDI peptide maps. If unambiguous identification cannot be achieved, MS/MS experiments are performed on the precursor ions identified through charge separation, while the previously described Q2-trapping duty cycle enhancement is tuned for approximately 1.4 of the precursor m/z to enhance intensities of ions with m/z values above that of the precursor. The resulting product ion spectra contain few fragments of impurities and provide quick and unambiguous identification through database search. The multiple charge separation technique requires minimal tuning and may become a useful tool for analysis of complex mixtures.

  7. Charging of a conducting sphere in a weakly ionized collisional plasma: Temporal dynamics and stationary state

    NASA Astrophysics Data System (ADS)

    Grach, V. S.; Garasev, M. A.

    2015-07-01

    We consider the interaction of a isolated conducting sphere with a collisional weakly ionized plasma in an external field. We assume that the plasma consists of two species of ions neglecting of electrons. We take into account charging of the sphere due to sedimentation of plasma ions on it, the field of the sphere charge and the space charge, as well as recombination and molecular diffusion. The nonstationary problem of interaction of the sphere with the surrounding plasma is solved numerically. The temporal dynamics of the sphere charge and plasma perturbations is analyzed, as well as the properties of the stationary state. It is shown that the duration of transient period is determined by the recombination time and by the reverse conductivity of ions. The temporal dynamics of the sphere charge and plasma perturbations is determined by the intensity of recombination processes relative to the influence of the space charge field and diffusion. The stationary absolute value of the sphere charge increases linearly with the external electric field, decreases with the relative intensity of recombination processes and increases in the presence of substantial diffusion. The scales of the perturbed region in the plasma are determined by the radius of the sphere, the external field, the effect of diffusion, and the relative intensity of recombination processes. In the limiting case of the absence of molecular diffusion and a strong external field, the properties of the stationary state coincide with those obtained earlier as a result of approximate solution.

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

    PubMed Central

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

    2016-01-01

    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. PMID:27974792

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

    NASA Technical Reports Server (NTRS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  11. Allosteric equilibrium model explains steady-state coupling of beta-adrenergic receptors to adenylate cyclase in turkey erythrocyte membranes.

    PubMed

    Ugur, O; Onaran, H O

    1997-05-01

    We used a simple experimental approach to clarify some contradictory predictions of the collision coupling and equilibrium models (e.g. ternary complex, two-state ternary complex or quinternary complex), which describe G-protein-mediated beta-adrenergic receptor signalling in essentially different manners. Analysis of the steady-state coupling of beta-adrenoceptors to adenylate cyclase in turkey erythrocyte membranes showed that: (1) in the absence of an agonist, Gpp(NH)p (a hydrolysis-resistant analogue of GTP) can activate adenylate cyclase very slowly; (2) this activity reaches a steady state in approx. 5 h, the extent of activity depending on the concentration of the nucleotide; (3) isoprenaline-activated steady-state adenylate cyclase can be inactivated by propranolol (a competitive antagonist that relaxes the receptor activation), in the presence of Gpp(NH)p (which provides a virtual absence of GTPase) and millimolar concentrations of Mg2+ (the rate of this inactivation is relatively fast); (4) increasing the concentration of Gpp(NH)p can saturate the steady-state activity of adenylate cyclase. The saturated enzyme activity was lower than that induced by isoprenaline under the same conditions. This additional agonist-induced activation was reversible. In the light of these results, we conclude that agonist can also activate the guanine nucleotide-saturated system in the absence of GTPase by a mechanism other than guanine nucleotide exchange. We explain these phenomena in the framework of a quinternary complex model as an agonist-induced and receptor-mediated dissociation of guanine nucleotide-saturated residual heterotrimer, the equilibrium concentration of which is not necessarily zero. These results, which suggest a continuous interaction between receptor and G-protein, can hardly be accommodated by the collision coupling model that was originally suggested for the present experimental system and then applied to many other G-protein systems. Therefore we

  12. Space-charge-limited solid-state triode

    NASA Technical Reports Server (NTRS)

    Shumka, A. (Inventor)

    1975-01-01

    A solid-state triode is provided from a wafer of nearinstrinsic semiconductor material sliced into filaments of rectangular cross section. Before slicing, emitter and collector regions are formed on the narrow sides of the filaments, and after slicing gate regions are formed in arrow strips extending longitudinally along the midsections of the wide sides of the filaments. Contacts are then formed on the emitter, collector and gate regions of each filament individually for a single filament device, or in parallel for an array of filament devices to increase load current.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed Central

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

    2016-01-01

    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. PMID:27035935

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

    SciTech Connect

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

    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.

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

    PubMed

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  18. Charge state evolution in the solar wind. III. Model comparison with observations

    SciTech Connect

    Landi, E.; Oran, R.; Lepri, S. T.; Zurbuchen, T. H.; Fisk, L. A.; Van der Holst, B.

    2014-08-01

    We test three theoretical models of the fast solar wind with a set of remote sensing observations and in-situ measurements taken during the minimum of solar cycle 23. First, the model electron density and temperature are compared to SOHO/SUMER spectroscopic measurements. Second, the model electron density, temperature, and wind speed are used to predict the charge state evolution of the wind plasma from the source regions to the freeze-in point. Frozen-in charge states are compared with Ulysses/SWICS measurements at 1 AU, while charge states close to the Sun are combined with the CHIANTI spectral code to calculate the intensities of selected spectral lines, to be compared with SOHO/SUMER observations in the north polar coronal hole. We find that none of the theoretical models are able to completely reproduce all observations; namely, all of them underestimate the charge state distribution of the solar wind everywhere, although the levels of disagreement vary from model to model. We discuss possible causes of the disagreement, namely, uncertainties in the calculation of the charge state evolution and of line intensities, in the atomic data, and in the assumptions on the wind plasma conditions. Last, we discuss the scenario where the wind is accelerated from a region located in the solar corona rather than in the chromosphere as assumed in the three theoretical models, and find that a wind originating from the corona is in much closer agreement with observations.

  19. Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach.

    PubMed

    Duchemin, Ivan; Jacquemin, Denis; Blase, Xavier

    2016-04-28

    We have implemented the polarizable continuum model within the framework of the many-body Green's function GW formalism for the calculation of electron addition and removal energies in solution. The present formalism includes both ground-state and non-equilibrium polarization effects. In addition, the polarization energies are state-specific, allowing to obtain the bath-induced renormalisation energy of all occupied and virtual energy levels. Our implementation is validated by comparisons with ΔSCF calculations performed at both the density functional theory and coupled-cluster single and double levels for solvated nucleobases. The present study opens the way to GW and Bethe-Salpeter calculations in disordered condensed phases of interest in organic optoelectronics, wet chemistry, and biology.

  20. On the equilibrium state of a small system with random matrix coupling to its environment

    NASA Astrophysics Data System (ADS)

    Lebowitz, J. L.; Pastur, L.

    2015-07-01

    We consider a random matrix model of interaction between a small n-level system, S, and its environment, a N-level heat reservoir, R. The interaction between S and R is modeled by a tensor product of a fixed n× n matrix and a N× N Hermitian random matrix. We show that under certain ‘macroscopicity’ conditions on R, the reduced density matrix of the system {{ρ }S}=T{{r}R}ρ S\\cup R(eq), is given by ρ S(c)˜ exp \\{-β {{H}S}\\}, where HS is the Hamiltonian of the isolated system. This holds for all strengths of the interaction and thus gives some justification for using ρ S(c) to describe some nano-systems, like biopolymers, in equilibrium with their environment (Seifert 2012 Rep. Prog. Phys. 75 126001). Our results extend those obtained previously in (Lebowitz and Pastur 2004 J. Phys. A: Math. Gen. 37 1517-34) (Lebowitz et al 2007 Contemporary Mathematics (Providence RI: American Mathematical Society) pp 199-218) for a special two-level system.

  1. Probing autoinducer-2 based quorum sensing: the biological consequences of molecules unable to traverse equilibrium states.

    PubMed

    Tsuchikama, Kyoji; Lowery, Colin A; Janda, Kim D

    2011-09-02

    Bacteria have developed a cell-to-cell communication system, termed quorum sensing (QS), which allows for the population-dependent coordination of their behavior via the exchange of chemical signals. Autoinducer-2 (AI-2), a class of QS signals derived from 4,5-dihydroxy-2,3-pentandione (DPD), has been revealed as a universal signaling molecule in a variety of bacterial species. In spite of considerable interest, the study of putative AI-2 based QS systems remains a challenging topic in part due to the rapid interconversion between the linear and cyclic forms of DPD. Herein, we report the design and development of efficient syntheses of carbocyclic analogues of DPD, which are locked in the cyclic form. The synthetic analogues were evaluated for the modulation of AI-2-based QS in Vibrio harveyi and Salmonella typhimurium. No agonists were uncovered in either V. harveyi or S. typhimurium assay, whereas weak to moderate antagonists were found against V. harveyi. On the basis of NMR analyses and DFT calculations, the heterocyclic oxygen atom within DPD appears necessary to promote hydration at the C3 position of cyclic DPD to afford the active tetrahydroxy species. These results also shed light on the interaction between the heterocyclic oxygen atom and receptor proteins as well as the importance of the linear form and dynamic equilibrium of DPD as crucial requirements for activation of AI-2 based QS circuits.

  2. REVIEW ARTICLE: State-of-the-art of battery state-of-charge determination

    NASA Astrophysics Data System (ADS)

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

    2005-12-01

    From the early days of its discovery, humanity has depended on electricity, a phenomenon without which our technological advancements would not have been possible. With the increased need for mobility, people moved to portable power storage—first for wheeled applications, then for portable and finally nowadays wearable use. Several types of rechargeable battery systems, including those of lead-acid, nickel-cadmium, nickel-metal hydride, lithium ion and lithium-ion polymer exist in the market. The most important of them will be discussed in this review. Almost as long as rechargeable batteries have existed, systems able to give an indication about the state-of-charge (SoC) of a battery have been around. Several methods, including those of direct measurements, book-keeping and adaptive systems (Bergveld et al 2002 Battery Management Systems, Design by Modelling (Philips Research Book Series) vol 1 (Boston: Kluwer)) are known in the art for determining the SoC of a cell or battery of cells. An accurate SoC determination method and an understandable and reliable SoC display to the user will improve the performance and reliability, and will ultimately lengthen the lifetime of the battery. However, many examples of poor accuracy and reliability can be found in practice (Bergveld et al 2002, cited above). This review presents an overview on battery technology and the state-of-the-art of SoC methods. The goal of all the presented SoC indication methods is to design an SoC indication system capable of providing an accurate SoC indication under all realistic user conditions, including those of spread—in both battery and user behaviour, a large temperature and current range and ageing of the battery.

  3. Calculation of charge-state ratios for satellite Tor I

    NASA Astrophysics Data System (ADS)

    Summers, D.; Siscoe, G. L.

    1985-11-01

    The authors model the diffusion of ions in a satellite plasma torus by means of a symmetric one dimensional random walk in which the particle source is at 0, the particle sink is at N (an integer ≥2), and the scale size of the diffusion cell is unity. The authors obtain the probability distribution function of the number of steps to exit for an ion or, equivalently, the probability distribution of ion residence times. This distribution is used in a model incorporating ionization by electron impact to derive steady state expressions for the ratio of the numbers of doubly to singly ionized ions, and the total number of ions in the torus. The authors apply the results to the torus of the Jovian satellite Io to predict mean residence times for sulphur and oxygen ions.

  4. Calculation of charge-state ratios for satellite Tor I

    NASA Technical Reports Server (NTRS)

    Summers, D.; Siscoe, G. L.

    1985-01-01

    The diffusion of ions in a satellite plasma torus is presently modeled in terms of a one-dimensional random walk in which the particle source is at 0, the particle sink is at an N value that is an integer greater than 2, and the scale size of the diffusion cell is unity. The probability distribution function of the number of steps to exit for an ion is obtained and used in a model which incorporates ionization by electron impact to derive steady state expressions for the ratio of doubly to singly ionized ions, as well as the total number of ions in the torus. The results thus obtained are applied to the torus of the Jovian satellite Io, in order to predict mean residence times for sulfur and oxygen ions.

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

    PubMed

    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.

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

    PubMed Central

    Yu, Deshui; Valado, María Martínez; 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. PMID:27922087

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

    NASA Astrophysics Data System (ADS)

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

    2016-12-01

    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.

  8. Caging and solvent effects on the tautomeric equilibrium of 3-pyridone/3-hydroxypyridine in the ground state: a study in cyclodextrins and binary solvents.

    PubMed

    Abou-Zied, Osama K; Al-Shihi, Othman I K

    2009-07-14

    The tautomeric equilibrium between 3-pyridone (3Py) and 3-hydroxypyridine (3HP) shows characteristic absorption peaks for the zwitterion form of 3Py in water that may be used as a probe of the hydrophobic nature inside macromolecules such as proteins and other biologically related systems. We studied this equilibrium in the ground state in aqueous cyclodextrins (CDs) and in binary solvent mixtures of 1,4-dioxane and water by absorption spectroscopy, and by ab initio calculations. Upon the addition of alpha-CD or beta-CD to an aqueous solution of the 3Py/3HP system, the absorbance intensity of the zwitterion tautomer decreases with a concomitant increase in the intensity of the enol tautomer of 3HP. The results reflect the nature of the tautomeric equilibrium and point to the hydrophobic environment inside the CD cavities. The effect of inclusion is noticeably less in the case of alpha-CD. This is attributed to the small cavity size of alpha-CD which sustains only partial inclusion. Upon the addition of gamma-CD, the intensity of the zwitterion tautomer slightly increased over that in water which is attributed to the direct interaction between the charged sides of the tautomer with the outer primary or secondary hydroxyls of the glycopyranose units of gamma-CD. This interaction is a result of the large cavity size of gamma-CD which does not support a stable complex. The largest caging effect was observed in 2,6-di-O-methyl-beta-CD (DMbeta-CD) which is an indication of a more hydrophobic environment around the guest. The large hydrophobicity of DMbeta-CD is due to the presence of the two methyl groups in the beta-CD derivative which reduce the amount of water inside the cavity upon encapsulation. In the binary mixtures of 1,4-dioxane and water, the change in the absorbance intensity of the enol and the zwitterion tautomers was analyzed quantitatively and three water molecules were found to solvate the polar centers of each tautomer. Ab initio calculations of the

  9. On the theory of steady-state crystallization with a non-equilibrium mushy layer

    NASA Astrophysics Data System (ADS)

    Alexandrov, D. V.; Alexandrova, I. V.; Ivanov, A. A.

    2016-12-01

    Complete analytical solutions of nonlinear equations describing the steady-state directional crystallization of binary melts with a nonequilibrium mushy layer, where the processes of nucleation and growth of crystals occur, are constructed.

  10. Bose-Hubbard model: Relation between driven-dissipative steady states and equilibrium quantum phases

    NASA Astrophysics Data System (ADS)

    Le Boité, Alexandre; Orso, Giuliano; Ciuti, Cristiano

    2014-12-01

    We present analytical solutions for the mean-field master equation of the driven-dissipative Bose-Hubbard model for cavity photons, in the limit of both weak pumping and weak dissipation. Instead of pure Mott-insulator states, we find statistical mixtures with the same second-order coherence g(2 )(0 ) as a Fock state with n photons, but a mean photon number of n /2 . These mixed states occur when n pump photons have the same energy as n interacting photons inside the nonlinear cavity and survive up to a critical tunneling coupling strength, above which a crossover to a classical coherent state takes place. We also explain the origin of both antibunching and superbunching predicted by P-representation mean-field theory at higher pumping and dissipation. In particular, we show that the strongly correlated region of the associated phase diagram cannot be described within the semiclassical Gross-Pitaevskii approach.

  11. Non-Equilibrium Molecular Dynamics

    NASA Astrophysics Data System (ADS)

    Ciccotti, Giovanni; Kapral, Raymond; Sergi, Alessandro

    Statistical mechanics provides a well-established link between microscopic equilibrium states and thermodynamics. If one considers systems out of equilibrium, the link between microscopic dynamical properties and non-equilibrium macroscopic states is more difficult to establish [1,2]. For systems lying near equilibrium, linear response theory provides a route to derive linear macroscopic laws and the microscopic expressions for the transport properties that enter the constitutive relations. If the system is displaced far from equilibrium, no fully general theory exists to treat such systems. By restricting consideration to a class of non-equilibrium states which arise from perturbations (linear or non-linear) of an equilibrium state, methods can be developed to treat non-equilibrium states. Furthermore, non-equilibrium molecular dynamics (NEMD) simulation methods can be devised to provide estimates for the transport properties of these systems.

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

    NASA Astrophysics Data System (ADS)

    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

  13. Insights into the allosteric regulation of Syk association with receptor ITAM, a multi-state equilibrium.

    PubMed

    Feng, Chao; Post, Carol Beth

    2016-02-17

    The phosphorylation of interdomain A (IA), a linker region between tandem SH2 domains of Syk tyrosine kinase, regulates the binding affinity for association of Syk with doubly-phosphorylated ITAM regions of the B cell receptor. The mechanism of this allosteric regulation has been suggested to be a switch from the high-affinity bifunctional binding, mediated through both SH2 domains binding two phosphotyrosine residues of ITAM, to a substantially lower-affinity binding of only one SH2 domain. IA phosphorylation triggers the switch by inducing disorder in IA and weakening the SH2-SH2 interaction. The postulated switch to a single-SH2-domain binding mode is examined using NMR to monitor site-specific binding to each SH2 domain of Syk variants engineered to have IA regions that differ in conformational flexibility. The combined analysis of titration curves and NMR line-shapes provides sufficient information to determine the energetics of inter-molecular binding at each SH2 site along with an intra-molecular binding or isomerization step. A less favorable isomerization equilibrium associated with the changes in the SH2-SH2 conformational ensemble and IA flexibility accounts for the inhibition of Syk association with membrane ITAM regions when IA is phosphorylated, and refutes the proposed switch to single-SH2-domain binding. Syk localizes in the cell through its SH2 interactions, and this basis for allosteric regulation of ITAM association proposes for the first time a phosphorylation-dependent model to regulate Syk binding to alternate receptors and other signaling proteins that differ either in the number of residues separating ITAM phosphotyrosines or by having only one phosphotyrosine, a half ITAM.

  14. Pure-state dynamics of a pair of charge qubits in a random environment

    NASA Astrophysics Data System (ADS)

    Burić, Nikola

    2005-10-01

    A pair of charge qubits in a random electromagnetic environment is studied, using the description of the random dynamics of its pure-state vector as given by quantum-state diffusion theory. It is shown by numerical computations that the pure-state dynamics provides a more detailed description than the density-matrix picture of the main effects such as phase dumping and depolarization.

  15. Calculation of rates of exciton dissociation into hot charge-transfer states in model organic photovoltaic interfaces

    NASA Astrophysics Data System (ADS)

    Vázquez, Héctor; Troisi, Alessandro

    2013-11-01

    We investigate the process of exciton dissociation in ordered and disordered model donor/acceptor systems and describe a method to calculate exciton dissociation rates. We consider a one-dimensional system with Frenkel states in the donor material and states where charge transfer has taken place between donor and acceptor. We introduce a Green's function approach to calculate the generation rates of charge-transfer states. For disorder in the Frenkel states we find a clear exponential dependence of charge dissociation rates with exciton-interface distance, with a distance decay constant β that increases linearly with the amount of disorder. Disorder in the parameters that describe (final) charge-transfer states has little effect on the rates. Exciton dissociation invariably leads to partially separated charges. In all cases final states are “hot” charge-transfer states, with electron and hole located far from the interface.

  16. Oxidation induced superconductivity and Mo/Cu charge equilibrium in Mo0.3Cu0.7Sr2ErCu2Oy

    NASA Astrophysics Data System (ADS)

    Marik, Sourav; Santos-Garcia, A. J. D.; Labrugere, Christine; Morán, Emilio; Toulemonde, O.; Alario-Franco, M. A.

    2015-04-01

    A detailed study of the structure-composition-properties correlation is reported for the as-prepared (AP) and two oxygenated (oxygenation carried out at ambient pressure and under high pressure) Mo0.3Cu0.7Sr2ErCu2Oy samples. Their crystal structures were characterized by combining the x-ray/neutron powder diffraction (NPD) and electron diffraction techniques. All the samples show tetragonal symmetry, crystallizing in the P4/mmm space group. The influence of oxygenation in the electronic states for the Mo0.3Cu0.7Sr2ErCu2Oy system associated with an oxidation reaction leading from a non-superconducting to a superconducting state has also been investigated by means of x-ray photoelectron spectroscopy (XPS). XPS measurements show the predominance of the MoV oxidation state over the MoVI one in the AP sample; annealing under flowing oxygen enhances both the MoVI and CuII amounts. The AP sample shows the existence of ferromagnetic clusters originated from the short-range magnetic correlations of the paramagnetic MoV cations. On the other hand, all the oxygenated samples are not magnetic but superconducting. The high-pressure oxygenated sample shows the highest superconducting transition temperature of TC = 84 K. A partial oxygen ordering in the (Mo/Cu)O1+δ chain and a decrease in the charge transfer energy after oxygenation induces superconductivity in the oxygenated samples.

  17. Heterogeneity of equilibrium molten globule state of cytochrome c induced by weak salt denaturants under physiological condition.

    PubMed

    Rahaman, Hamidur; Alam Khan, Md Khurshid; Hassan, Md Imtaiyaz; Islam, Asimul; Moosavi-Movahedi, Ali Akbar; Ahmad, Faizan

    2015-01-01

    While many proteins are recognized to undergo folding via intermediate(s), the heterogeneity of equilibrium folding intermediate(s) along the folding pathway is less understood. In our present study, FTIR spectroscopy, far- and near-UV circular dichroism (CD), ANS and tryptophan fluorescence, near IR absorbance spectroscopy and dynamic light scattering (DLS) were used to study the structural and thermodynamic characteristics of the native (N), denatured (D) and intermediate state (X) of goat cytochorme c (cyt-c) induced by weak salt denaturants (LiBr, LiCl and LiClO4) at pH 6.0 and 25°C. The LiBr-induced denaturation of cyt-c measured by Soret absorption (Δε400) and CD ([θ]409), is a three-step process, N ↔ X ↔ D. It is observed that the X state obtained along the denaturation pathway of cyt-c possesses common structural and thermodynamic characteristics of the molten globule (MG) state. The MG state of cyt-c induced by LiBr is compared for its structural and thermodynamic parameters with those found in other solvent conditions such as LiCl, LiClO4 and acidic pH. Our observations suggest: (1) that the LiBr-induced MG state of cyt-c retains the native Met80-Fe(III) axial bond and Trp59-propionate interactions; (2) that LiBr-induced MG state of cyt-c is more compact retaining the hydrophobic interactions in comparison to the MG states induced by LiCl, LiClO4 and 0.5 M NaCl at pH 2.0; and (3) that there exists heterogeneity of equilibrium intermediates along the unfolding pathway of cyt-c as highly ordered (X1), classical (X2) and disordered (X3), i.e., D ↔ X3 ↔ X2 ↔ X1 ↔ N.

  18. Dependence of multiply charged ions on the polarization state in nanosecond laser-benzene cluster interaction

    NASA Astrophysics Data System (ADS)

    Wang, Weiguo; Zhao, Wuduo; Hua, Lei; Hou, Keyong; Li, Haiyang

    2016-05-01

    This paper investigated the dependence of multiply charged ions on the laser polarization state when benzene cluster was irradiated with 532 and 1064 nm nanosecond laser. A circle, square and flower distribution for C2+, C3+ and C4+ were observed with 532 nm laser respectively, while flower petals for C2+, C3+ and C4+ were observed at 1064 nm as the laser polarization varied. A theoretical calculation was performed to interpret the polarization state and wavelength dependence of the multiply charged ions. The simulated results agreed well with the experimental observation with considering the contribution from the cluster disintegration.

  19. State-selective charge transfer cross sections for light ion impact of atomic hydrogen

    SciTech Connect

    Schultz, D. R.; Stancil, Phillip C.; Havener, C. C.

    2015-01-01

    Owing to the utility of diagnosing plasma properties such as impurity concentration and spatial distribution, and plasma temperature and rotation, by detection of photon emission following capture of electrons from atomic hydrogen to excited states of multiply charged ions, new calculations of state-selective charge transfer involving light ions have been carried out using the atomic orbital close-coupling and the classical trajectory Monte Carlo methods. By comparing these with results of other approaches applicable in a lower impact energy regime, and by benchmarking them using key experimental data, knowledge of the cross sections can be made available across the range parameters needed by fusion plasma diagnostics.

  20. Incipient charge order observed by NMR in the normal state of YBa2Cu3Oy

    PubMed Central

    Wu, Tao; Mayaffre, Hadrien; Krämer, Steffen; Horvatić, Mladen; Berthier, Claude; Hardy, W.N.; Liang, Ruixing; Bonn, D.A.; Julien, Marc-Henri

    2015-01-01

    The pseudogap regime of high-temperature cuprates harbours diverse manifestations of electronic ordering whose exact nature and universality remain debated. Here, we show that the short-ranged charge order recently reported in the normal state of YBa2Cu3Oy corresponds to a truly static modulation of the charge density. We also show that this modulation impacts on most electronic properties, that it appears jointly with intra-unit-cell nematic, but not magnetic, order, and that it exhibits differences with the charge density wave observed at lower temperatures in high magnetic fields. These observations prove mostly universal, they place new constraints on the origin of the charge density wave and they reveal that the charge modulation is pinned by native defects. Similarities with results in layered metals such as NbSe2, in which defects nucleate halos of incipient charge density wave at temperatures above the ordering transition, raise the possibility that order–parameter fluctuations, but no static order, would be observed in the normal state of most cuprates if disorder were absent. PMID:25751448

  1. Out-of-equilibrium dynamics of photoexcited spin-state concentration waves

    SciTech Connect

    Marino, Andrea; Buron-Le Cointe, M.; Lorenc, M.; Toupet, L.; Henning, Robert W.; DiChiara, A. D.; Moffat, Keith; Brefuel, N.; Collet, E.

    2015-01-28

    The spin crossover compound [FeIIH2L2-Me][PF6]2 presents a two-step phase transition. In the intermediate phase, a spin state concentration wave (SSCW) appears resulting from a symmetry breaking (cell doubling) associated with a long-range order of alternating high and low spin molecular states. Lastly, by combining time-resolved optical and X-ray diffraction measurements on a single crystal, we study how such a system responds to femtosecond laser excitation and we follow in real time the erasing and rewriting of the SSCW

  2. Out-of-equilibrium dynamics of photoexcited spin-state concentration waves

    DOE PAGES

    Marino, Andrea; Buron-Le Cointe, M.; Lorenc, M.; ...

    2015-01-28

    The spin crossover compound [FeIIH2L2-Me][PF6]2 presents a two-step phase transition. In the intermediate phase, a spin state concentration wave (SSCW) appears resulting from a symmetry breaking (cell doubling) associated with a long-range order of alternating high and low spin molecular states. Lastly, by combining time-resolved optical and X-ray diffraction measurements on a single crystal, we study how such a system responds to femtosecond laser excitation and we follow in real time the erasing and rewriting of the SSCW

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

    NASA Astrophysics Data System (ADS)

    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.

  4. Future prospects for ECR ion sources with improved charge state distributions

    SciTech Connect

    Alton, G.D.

    1995-12-31

    Despite the steady advance in the technology of the ECR ion source, present art forms have not yet reached their full potential in terms of charge state and intensity within a particular charge state, in part, because of the narrow band width. single-frequency microwave radiation used to heat the plasma electrons. This article identifies fundamentally important methods which may enhance the performances of ECR ion sources through the use of: (1) a tailored magnetic field configuration (spatial domain) in combination with single-frequency microwave radiation to create a large uniformly distributed ECR ``volume`` or (2) the use of broadband frequency domain techniques (variable-frequency, broad-band frequency, or multiple-discrete-frequency microwave radiation), derived from standard TWT technology, to transform the resonant plasma ``surfaces`` of traditional ECR ion sources into resonant plasma ``volume``. The creation of a large ECR plasma ``volume`` permits coupling of more power into the plasma, resulting in the heating of a much larger electron population to higher energies, thereby producing higher charge state ions and much higher intensities within a particular charge state than possible in present forms of` the source. The ECR ion source concepts described in this article offer exciting opportunities to significantly advance the-state-of-the-art of ECR technology and as a consequence, open new opportunities in fundamental and applied research and for a variety of industrial applications.

  5. Metal-organic charge transfer can produce biradical states and is mediated by conical intersections

    PubMed Central

    Tishchenko, Oksana; Li, Ruifang; Truhlar, Donald G.

    2010-01-01

    The present paper illustrates key features of charge transfer between calcium atoms and prototype conjugated hydrocarbons (ethylene, benzene, and coronene) as elucidated by electronic structure calculations. One- and two-electron charge transfer is controlled by two sequential conical intersections. The two lowest electronic states that undergo a conical intersection have closed-shell and open-shell dominant configurations correlating with the 4s2 and 4s13d1 states of Ca, respectively. Unlike the neutral-ionic state crossing in, for example, hydrogen halides or alkali halides, the path from separated reactants to the conical intersection region is uphill and the charge-transferred state is a biradical. The lowest-energy adiabatic singlet state shows at least two minima along a single approach path of Ca to the π system: (i) a van der Waals complex with a doubly occupied highest molecular orbital, denoted , and a small negative charge on Ca and (ii) an open-shell singlet (biradical) at intermediate approach (Ca⋯C distance ≈2.5–2.7 Å) with molecular orbital structure ϕ1ϕ2, where ϕ2 is an orbital showing significant charge transfer form Ca to the π-system, leading to a one-electron multicentered bond. A third minimum (iii) at shorter distances along the same path corresponding to a closed-shell state with molecular orbital structure has also been found; however, it does not necessarily represent the ground state at a given Ca⋯C distance in all three systems. The topography of the lowest adiabatic singlet potential energy surface is due to the one- and two-electron bonding patterns in Ca-π complexes. PMID:21037111

  6. High Charge State Ions Extracted from Metal Plasmas in the Transition Regime from Vacuum Spark to High Current Vacuum Arc

    SciTech Connect

    Yushkov, Georgy Yu.; Anders, A.

    2008-06-19

    Metal ions were extracted from pulsed discharge plasmas operating in the transition region between vacuum spark (transient high voltage of kV) and vacuum arc (arc voltage ~;; 20 V). At a peak current of about 4 kA, and with a pulse duration of 8 ?s, we observed mean ion charges states of about 6 for several cathode materials. In the case of platinum, the highest average charge state was 6.74 with ions of charge states as high as 10 present. For gold we found traces of charge state 11, with the highest average charge state of 7.25. At currents higher than 5 kA, non-metallic contaminations started to dominate the ion beam, preventing further enhancement of the metal charge states.

  7. High-Efficiency Solid State Cooling Technologies: Non-Equilibrium Asymmetic Thermoelectrics (NEAT) Devices

    SciTech Connect

    2010-09-01

    BEETIT Project: Sheetak is developing a thermoelectric-based solid state cooling system to replace typical air conditioners that use vapor compression to cool air. With noisy mechanical components, vapor compression systems use a liquid refrigerant to circulate within the air conditioner, absorb heat, and pump the heat out into the external environment. With no noisy moving parts or polluting refrigerants, thermoelectric systems rely on an electrical current being passed through the junction of the two different conducting materials to change temperature. Using advanced semiconductor technology, Sheetak is improving solid state cooling systems by using proprietary thermoelectric materials along with other innovations to achieve significant energy efficiency. Sheetak’s new design displaces compressor-based technology; improves reliability; and decreases energy usage. Sheetak’s use of semiconductor manufacturing methods leads to less material use—facilitating cheaper production.

  8. Entropy for Zero-Temperature Limits of Gibbs-Equilibrium States for Countable-Alphabet Subshifts of Finite Type

    NASA Astrophysics Data System (ADS)

    Morris, I. D.

    2007-01-01

    Let Σ A be a finitely primitive subshift of finite type over a countable alphabet. For suitable potentials f : Σ A → ℝ we can associate an invariant Gibbs equilibrium state μ tf to the potential tf for each t ≥ 1. In this note, we show that the entropy h(μ tf ) converges in the limit t→ ∞ to the maximum entropy of those invariant measures which maximize ∫ f dμ. We further show that every weak-* accumulation point of the family of measures μ tf has entropy equal to this value. This answers a pair of questions posed by O. Jenkinson, R. D. Mauldin and M. Urbański.

  9. Charge Transfer States of Aqueous B-DNA at Energies Above the Bright ^1π&*circ; Exciton States

    NASA Astrophysics Data System (ADS)

    Lange, Adrian; Herbert, John

    2009-03-01

    Charge transfer states have been proposed to explain experimentally observed long-lived excited state dynamics in aqueous DNA oligomersootnotetextCrespo-Hern'andez, C. E.; Cohen, B.;Kohler, B. Nature 2005, 436, 1141.. Due to the large number of atoms, tractably describing such excited states in DNA systems with ab initio theory is limited to TD-DFT. However, standard TD-DFT exchange-correlation functionals significantly underestimate CT excitation energies owing to incorrect asymptotic behavior. To circumvent this error, we instead apply recently developed and optimized long-range corrected TD-DFT functionals to better assess the low lying CT and exciton states of DNA oligomers. We show that long-range corrected TD-DFT yields results comparable to correlated wave function models, placing CT states of aqueous B-DNA at energies above the optically bright ^1π&*circ; exciton states, contrary to TD-DFT results which find CT states below the exciton states.

  10. Yeast TATA Binding Protein Interaction with DNA: Fluorescence Determination of Oligomeric State, Equilibrium Binding, On-Rate, and Dissociation Kinetics†

    PubMed Central

    Perez-Howard, Gina M.; Weil, P. Anthony

    2010-01-01

    A combination of steady-state, stopped-flow, and time-resolved fluorescence of intrinsic tryptophan and extrinsically labeled fluorescent DNA is utilized to examine the interaction of yeast TATA binding protein (TBP) with DNA. TBP is composed of two structural domains, the carboxy domain (residues 61–240), which is responsible for DNA binding and initiation of basal level transcription, and an amino terminal domain (residues 1–60), whose function is currently unknown. The steady-state fluorescence emission spectrum of the single tryptophan in the amino terminal domain of TBP undergoes a huge (30–40 nm) red-shift upon interaction with stoichiometric amounts of TATA box containing DNA. From time-resolved tryptophan fluorescence anisotropy studies, we demonstrate that, in the absence of DNA, the protein exists as a multimer in solution and it contains (at least) two primary conformations, one with the amino terminus associated tightly with the protein(s) in a hydrophobic environment and one with the amino terminus decoupled away from the rest of the protein and solvent-exposed. Upon binding DNA, the protein dissociates into a monomeric complex, upon which only the solvent-exposed amino terminus conformation remains. Kinetic and equilibrium binding studies were performed on TATA box containing DNA which was extrinsically labeled with a fluorescent probe Rhodamine-X at the 5′-end. This “fluorescent” DNA allowed for the collection of quantitative spectroscopic binding, kinetic on-rate, and kinetic off-rate data at physiological concentrations. Global analysis of equilibrium binding studies performed from 500 pM to 50 nM DNA reveals a single dissociation constant (Kd) of approximately 5 nM. Global analysis of stopped-flow anisotropy on-rate experiments, with millisecond timing resolution and TBP concentrations ranging from 20 to 600 nM (20 nM DNA), can be perfectly described by a single second-order rate constant of 1.66 × 105 M−1 s−1. These measurements

  11. Fabrication of surface-channel charge-coupled devices with ultralow density of interface states

    NASA Astrophysics Data System (ADS)

    Saks, Nelson S.

    1982-10-01

    Surface-channel charge-coupled devices (CCD's) have been fabricated with ultralow density of (fast) interface states in the range 1-3×108/cm2 eV. This low interface state density is achieved by hydrogen implantation into the metal-nitride-oxide-silicon (MNOS) insulator structure of the CCD as the final fabrication step after aluminum interconnect metallization. The CCD's are shown to have excellent operating characteristics including high transfer efficiency (˜0.99995 without bias charge), low dark current (0.25-0.50 nA/cm2 at 20°C), and high signal charge capacity (1.55×1012 e/cm2 for 10-V clock swing).

  12. Charge, quantum state, and energy distributions of impurities released in plasma-wall interaction processes

    SciTech Connect

    Gruen, D.M.

    1981-01-01

    Conventional wisdom has it that total sputtering yields correlate with high Z-impurity levels found in fusion plasmas. The charge, quantum states and energy distributions of sputtered atoms have been virtually ignored in these considerations. Impurity transport from the wall or limiter to the plasma is, however, strongly influenced by these factors which may play a crucial role in determining impurity levels in the deeper plasma regions. Preliminary calculations have shown that positively charged impurities would most likely be redeposited on their surfaces of origin. The conditions leading to charged or excited state atoms emission and the energy distributions of such species are reviewed. Techniques for measuring these quantities are discussed and the need for a wider data base in this field is pointed out.

  13. Evaluation of Surface State Mediated Charge Recombination in Anatase and Rutile TiO2

    PubMed Central

    2016-01-01

    In nanostructured thin films, photogenerated charge carriers can access the surface more easily than in dense films and thus react more readily. However, the high surface area of these films has also been associated with enhanced recombination losses via surface states. We herein use transient absorption spectroscopy to compare the ultrafast charge carrier kinetics in dense and nanostructured TiO2 films for its two most widely used polymorphs: anatase and rutile. We find that nanostructuring does not enhance recombination rates on ultrafast time scales, indicating that surface state mediated recombination is not a key loss pathway for either TiO2 polymorph. Rutile shows faster, and less intensity-dependent recombination than anatase, which we assign to its higher doping density. For both polymorphs, we conclude that bulk rather than surface recombination is the primary determinant of charge carrier lifetime. PMID:27564137

  14. Ion Species and Charge States of Vacuum Arc Plasma with Gas Feed and Longitudinal Magnetic Field

    SciTech Connect

    Oks, Efim; Anders, Andre

    2010-06-23

    The evolution of copper ion species and charge state distributions is measured for a long vacuum arc discharge plasma operated in the presence of a longitudinal magnetic field of several 10 mT and working gas (Ar). It was found that changing the cathode-anode distance within 20 cm as well as increasing the gas pressure did not affect the arc burning voltage and power dissipation by much. In contrast, burning voltage and power dissipation were greatly increased as the magnetic field was increased. The longer the discharge gap the greater was the fraction of gaseous ions and the lower the fraction of metal ions, while the mean ion charge state was reduced. It is argued that the results are affected by charge exchange collisions and electron impact ionization.

  15. Localized chemical switching of the charge state of nitrogen-vacancy luminescence centers in diamond

    SciTech Connect

    Shanley, Toby W.; Martin, Aiden A.; Aharonovich, Igor Toth, Milos

    2014-08-11

    We present a direct-write chemical technique for controlling the charge state of near-surface nitrogen vacancy centers (NVs) in diamond by surface fluorination. Fluorination of H-terminated diamond is realized by electron beam stimulated desorption of H{sub 2}O in the presence of NF{sub 3} and verified with environmental photoyield spectroscopy (EPYS) and photoluminescence (PL) spectroscopy. PL spectra of shallow NVs in H- and F-terminated nanodiamonds show the expected dependence of the NV charge state on their energetic position with respect to the Fermi-level. EPYS reveals a corresponding difference between the ionization potential of H- and F-terminated diamond. The electron beam fluorination process is highly localized and can be used to fluorinate H-terminated diamond, and to increase the population of negatively charged NV centers.

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

    SciTech Connect

    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).

  17. Dependence of radiative stabilization on the projectile charge state after double-electron-transfer processes in slow, highly charged ion-molecule collisions

    NASA Astrophysics Data System (ADS)

    Krok, Franciszek; Tolstikhina, Inga Yu.; Sakaue, Hiroyuki A.; Yamada, Ichihiro; Hosaka, Kazumoto; Kimura, Masahiro; Nakamura, Nobuyuki; Ohtani, Shunsuke; Tawara, Hiroyuki

    1997-12-01

    We have measured the radiative stabilization probabilities after double-electron-transfer processes in slow (1.5q keV) Iq++CO collisions in the charge-state regime 8<=q<=26 by using the charge-selected-projectile-recoil-ion-coincidence method. It was found that the radiative stabilization probabilities Prad, defined as Prad=TDC/(TDC+ADC) (TDC is true double capture, and ADC autoionizing double capture), increases from about 1% at the lowest charge up to about 10% at the highest charge as the charge state of the projectile increases. A model is proposed which can explain such a feature, by incorporating a slight modification of the initial population of the transferred levels in the projectile predicted in the extended classical over-barrier model. Based upon the present model, theoretical radiative and autoionization decay rates have been calculated, using the Cowan code. Fairly good agreement between the measured and calculated results has been obtained.

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

    NASA Astrophysics Data System (ADS)

    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.

  19. Matrix engineering, state filling, and charge transport in PbSe quantum dot solids

    NASA Astrophysics Data System (ADS)

    Law, Matt

    Colloidal semiconductor quantum dots (QDs) are attractive building blocks for solar photovoltaics (PV). In this talk, I will highlight our recent progress in designing PbX (X = S, Se, Te) QD thin film absorbers for next-generation PV. Basic requirements for QD absorber layers include efficient light absorption, charge separation, charge transport, and long-term stability. I begin by discussing QD film fabrication, charge transport physics, insights from theory, and evidence that the carrier diffusion length is short and limited by electronic states in the QD band gap. Studies of carrier mobility as a function of basic film parameters such as inter-QD spacing, QD size, and QD size distribution have led to a better understanding of charge transport within highly disordered QD films. Efforts to improve carrier mobility by enhancing inter-dot electronic coupling, passivating surface states, and implementing surface doping will be highlighted. Engineering the inter-QD matrix to produce QD/inorganic or QD/organic nanocomposites is presented as a powerful way to optimize coupling, remove surface states, eliminate hysteretic charge trapping and ion motion, and achieve long-term environmental stability for high-performance, robust QD films that feature good carrier multiplication efficiency. New results on the use of atomic layer deposition infilling of QD films to yield all-inorganic QD transistors free of the bias-stress effect will be presented, and the likely role of ion transport in QD optoelectronics discussed. The use of infrared transmission spectroscopy to understand state filling and study charge transport in QD thin film transistors will be presented.

  20. Charge ordered normal ground state and its interplay with superconductivity in the underdoped cuprates

    NASA Astrophysics Data System (ADS)

    Sebastian, Suchitra

    2015-03-01

    Over the last few years, evidence has gradually built for a charge ordered normal ground state in the underdoped region of the cuprate high temperature superconductors. I will address the electronic structure of the normal ground state of the underdoped cuprates as accessed by quantum oscillations, and relate it to complementary measurements by other experimental techniques. The interplay of the charge ordered ground state with the antinodal gapped pseudogap state, and overarching magnetic and superconducting correlations will be further explored. This work was performed in collaboration with N. Harrison, G. G. Lonzarich, B. J. Ramshaw, B. S. Tan, P. A. Goddard, F. F. Balakirev, C. H. Mielke, R. Liang, D. A. Bonn, and W. N. Hardy

  1. A novel method for the injection and manipulation of magnetic charge states in nanostructures

    PubMed Central

    Gartside, J. C.; Burn, D. M.; Cohen, L. F.; Branford, W. R.

    2016-01-01

    Realising the promise of next-generation magnetic nanotechnologies is contingent on the development of novel methods for controlling magnetic states at the nanoscale. There is currently demand for simple and flexible techniques to access exotic magnetisation states without convoluted fabrication and application processes. 360° domain walls (metastable twists in magnetisation separating two domains with parallel magnetisation) are one such state, which is currently of great interest in data storage and magnonics. Here, we demonstrate a straightforward and powerful process whereby a moving magnetic charge, provided experimentally by a magnetic force microscope tip, can write and manipulate magnetic charge states in ferromagnetic nanowires. The method is applicable to a wide range of nanowire architectures with considerable benefits over existing techniques. We confirm the method’s efficacy via the injection and spatial manipulation of 360° domain walls in Py and Co nanowires. Experimental results are supported by micromagnetic simulations of the tip-nanowire interaction. PMID:27615372

  2. 42 CFR 447.68 - Alternative copayments, coinsurance, deductibles, or similar cost sharing charges: State plan...

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ..., or similar cost sharing charges: State plan requirements. 447.68 Section 447.68 Public Health CENTERS... ASSISTANCE PROGRAMS PAYMENTS FOR SERVICES Payments: General Provisions Alternative Premiums and Cost Sharing Under Section 1916a § 447.68 Alternative copayments, coinsurance, deductibles, or similar cost...

  3. Spin depolarization effect induced by charge state conversion of nitrogen vacancy center in diamond

    NASA Astrophysics Data System (ADS)

    Chen, Xiang-Dong; Zhou, Lei-Ming; Zou, Chang-Ling; Li, Cong-Cong; Dong, Yang; Sun, Fang-Wen; Guo, Guang-Can

    2015-09-01

    The electron spin of the negatively charged the nitrogen vacancy center (NV- ) in diamond can be optically polarized through intersystem crossing, which enables the defect to be used for quantum computation and metrology. In this work, we studied the electron spin depolarization effect of the NV center induced by charge state conversion, which was proven to be a spin-independent process. The spin-state initialization fidelity was largely affected by the charge state conversion process. As a result, the optical polarization of the electron spin decreased about 14 %(31 % ) with a high-power continuous-wave (pulsed) green laser. Moreover, the undefined fluorescence anomalous saturation effect of the NV center was analyzed and explained in detail based on the spin depolarization. The results demonstrated that a weak laser should be used for initialization of the NV center. In addition, the power and polarization of a laser for NV spin detection should be carefully adjusted to obtain the highest fluorescence signal. Our work also provided information that can increase the understanding of the charge state conversion and spin polarization processes of the NV center for quantum information and sensing.

  4. Relativistic compact anisotropic charged stellar models with Chaplygin equation of state

    NASA Astrophysics Data System (ADS)

    Bhar, Piyali; Murad, Mohammad Hassan

    2016-10-01

    This paper presents a new model of static spherically symmetric relativistic charged stellar objects with locally anisotropic matter distribution together with the Chaplygin equation of state. The interior spacetime has been matched continuously to the exterior Reissner-Nordström geometry. Different physical properties of the stellar model have been investigated, analyzed, and presented graphically.

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

    NASA Astrophysics Data System (ADS)

    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.

  6. Economic Impacts of Potential Foot and Mouth Disease Agro-terrorism in the United States: A Computable General Equilibrium Analysis

    SciTech Connect

    Oladosu, Gbadebo A; Rose, Adam; Bumsoo, Lee

    2013-01-01

    The foot and mouth disease (FMD) virus has high agro-terrorism potential because it is contagious, can be easily transmitted via inanimate objects and can be spread by wind. An outbreak of FMD in developed countries results in massive slaughtering of animals (for disease control) and disruptions in meat supply chains and trade, with potentially large economic losses. Although the United States has been FMD-free since 1929, the potential of FMD as a deliberate terrorist weapon calls for estimates of the physical and economic damage that could result from an outbreak. This paper estimates the economic impacts of three alternative scenarios of potential FMD attacks using a computable general equilibrium (CGE) model of the US economy. The three scenarios range from a small outbreak successfully contained within a state to a large multi-state attack resulting in slaughtering of 30 percent of the national livestock. Overall, the value of total output losses in our simulations range between $37 billion (0.15% of 2006 baseline economic output) and $228 billion (0.92%). Major impacts stem from the supply constraint on livestock due to massive animal slaughtering. As expected, the economic losses are heavily concentrated in agriculture and food manufacturing sectors, with losses ranging from $23 billion to $61 billion in the two industries.

  7. Non-equilibrium relaxation between two quasi-stationary states in a stochastic lattice Lotka-Volterra model

    NASA Astrophysics Data System (ADS)

    Chen, Sheng; Täuber, Uwe C.

    2015-03-01

    Spatially extended stochastic models for predator-prey competition and coexistence display complex, correlated spatio-temporal structures and are governed by remarkably large fluctuations. Both populations are characterized by damped erratic oscillations whose properties are governed by the reaction rates. Here, we specifically study a stochastic lattice Lotka-Volterra model by means of Monte Carlo simulations that impose spatial restrictions on the number of occupants per site. The system tends to relax into a quasi-stationary state, independent of the imposed initial conditions. We investigate the non-equilibrium relaxation between two such quasi-stationary states, following an instantaneous change of the predation rate. The ensuing relaxation times are measured via the peak width of the population density Fourier transforms. As expected, we find that the initial state only influences the oscillations for the duration of this relaxation time, implying that the system quickly loses any memory of the initial configuration. Research supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award DE-FG02-09ER46613.

  8. Prediction of the Chapman-Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamics.

    PubMed

    Guo, Dezhou; Zybin, Sergey V; An, Qi; Goddard, William A; Huang, Fenglei

    2016-01-21

    The combustion or detonation of reacting materials at high temperature and pressure can be characterized by the Chapman-Jouguet (CJ) state that describes the chemical equilibrium of the products at the end of the reaction zone of the detonation wave for sustained detonation. This provides the critical properties and product kinetics for input to macroscale continuum simulations of energetic materials. We propose the ReaxFF Reactive Dynamics to CJ point protocol (Rx2CJ) for predicting the CJ state parameters, providing the means to predict the performance of new materials prior to synthesis and characterization, allowing the simulation based design to be done in silico. Our Rx2CJ method is based on atomistic reactive molecular dynamics (RMD) using the QM-derived ReaxFF force field. We validate this method here by predicting the CJ point and detonation products for three typical energetic materials. We find good agreement between the predicted and experimental detonation velocities, indicating that this method can reliably predict the CJ state using modest levels of computation.

  9. Rich structure in the correlation matrix spectra in non-equilibrium steady states.

    PubMed

    Biswas, Soham; Leyvraz, Francois; Monroy Castillero, Paulino; Seligman, Thomas H

    2017-01-17

    It has been shown that, if a model displays long-range (power-law) spatial correlations, its equal-time correlation matrix will also have a power law tail in the distribution of its high-lying eigenvalues. The purpose of this paper is to show that the converse is generally incorrect: a power-law tail in the high-lying eigenvalues of the correlation matrix may exist even in the absence of equal-time power law correlations in the initial model. We may therefore view the study of the eigenvalue distribution of the correlation matrix as a more powerful tool than the study of spatial Correlations, one which may in fact uncover structure, that would otherwise not be apparent. Specifically, we show that in the Totally Asymmetric Simple Exclusion Process, whereas there are no clearly visible correlations in the steady state, the eigenvalues of its correlation matrix exhibit a rich structure which we describe in detail.

  10. Rich structure in the correlation matrix spectra in non-equilibrium steady states

    PubMed Central

    Biswas, Soham; Leyvraz, Francois; Monroy Castillero, Paulino; Seligman, Thomas H.

    2017-01-01

    It has been shown that, if a model displays long-range (power-law) spatial correlations, its equal-time correlation matrix will also have a power law tail in the distribution of its high-lying eigenvalues. The purpose of this paper is to show that the converse is generally incorrect: a power-law tail in the high-lying eigenvalues of the correlation matrix may exist even in the absence of equal-time power law correlations in the initial model. We may therefore view the study of the eigenvalue distribution of the correlation matrix as a more powerful tool than the study of spatial Correlations, one which may in fact uncover structure, that would otherwise not be apparent. Specifically, we show that in the Totally Asymmetric Simple Exclusion Process, whereas there are no clearly visible correlations in the steady state, the eigenvalues of its correlation matrix exhibit a rich structure which we describe in detail. PMID:28094322

  11. Rich structure in the correlation matrix spectra in non-equilibrium steady states

    NASA Astrophysics Data System (ADS)

    Biswas, Soham; Leyvraz, Francois; Monroy Castillero, Paulino; Seligman, Thomas H.

    2017-01-01

    It has been shown that, if a model displays long-range (power-law) spatial correlations, its equal-time correlation matrix will also have a power law tail in the distribution of its high-lying eigenvalues. The purpose of this paper is to show that the converse is generally incorrect: a power-law tail in the high-lying eigenvalues of the correlation matrix may exist even in the absence of equal-time power law correlations in the initial model. We may therefore view the study of the eigenvalue distribution of the correlation matrix as a more powerful tool than the study of spatial Correlations, one which may in fact uncover structure, that would otherwise not be apparent. Specifically, we show that in the Totally Asymmetric Simple Exclusion Process, whereas there are no clearly visible correlations in the steady state, the eigenvalues of its correlation matrix exhibit a rich structure which we describe in detail.

  12. The excited spin-triplet state of a charged exciton in quantum dots

    NASA Astrophysics Data System (ADS)

    Molas, M. R.; Nicolet, A. A. L.; Piętka, B.; Babiński, A.; Potemski, M.

    2016-09-01

    We report on spectroscopic studies of resonances related to ladder of states of a charged exciton in single GaAlAs/AlAs quantum dot structures. Polarization-resolved photoluminescence, photoluminescence excitation and photon-correlation measurements were performed at low (T  =  4.2 K) temperature also in magnetic field applied in Faraday configuration. The investigated resonances are assigned to three different configurations of a positively charged exciton. Together with a singlet ground state and a conventional triplet state (involving an electron from the ground state electronic s-shell), an excited triplet state, which involved an electron from the excited electronic p-shell was identified in single dots. The appearance of an emission line related to the latter complex is due to a partially suppressed electron relaxation in the investigated dots. An analysis of this emission line allows us to scrupulously determine properties of the excited triplet state and compare them with those of the conventional triplet state. Both triplets exhibit similar patterns of anisotropic fine structure and Zeeman splitting, however their amplitudes significantly differ for those two states. Presented results emphasize the role of the symmetry of the electronic state on the properties of the triplet states of two holes  +  electron excitonic complex.

  13. On a General Formalism of Nonlinear Charge Coherent States, Their Quantum Statistics and Nonclassical Properties

    NASA Astrophysics Data System (ADS)

    Eftekhari, F.; Tavassoly, M. K.

    In this paper, we will present a general formalism for constructing the nonlinear charge coherent states which in special case lead to the standard charge coherent states. The suQ(1, 1) algebra as a nonlinear deformed algebra realization of the introduced states is established. In addition, the corresponding even and odd nonlinear charge coherent states have also been introduced. The formalism has the potentiality to be applied to systems either with known "nonlinearity function" f(n) or solvable quantum system with known "discrete nondegenerate spectrum" en. As some physical appearances, a few known physical systems in the two mentioned categories have been considered. Finally, since the construction of nonclassical states is a central topic of quantum optics, nonclassical features and quantum statistical properties of the introduced states have been investigated by evaluating single- and two-mode squeezing, su(1, 1)-squeezing, Mandel parameter and antibunching effect (via g-correlation function) as well as some of their generalized forms we have introduced in the present paper.

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

    NASA Astrophysics Data System (ADS)

    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.

  15. Doubly charged state of EL2 defect in MOCVD-grown GaAs

    NASA Astrophysics Data System (ADS)

    Naz, Nazir A.; Qurashi, Umar S.; Majid, Abdul; Zafar Iqbal, M.

    2007-12-01

    EL2 is the ubiquitous native defect in crystalline GaAs grown by a variety of different techniques. It has been proposed to be a doubly charged deep-level center with two states having distinct energy levels in the band gap. While the singly charged state has been the subject of many experimental studies and is, therefore, well established, the doubly charged state has only been occasionally alluded to in the literature. This paper provides evidence for a dominant inadvertent deep level in p-type GaAs most likely to be the doubly charged state of the EL2 center. Deep-level transient spectroscopy (DLTS) has been applied to characterize epitaxial layers of p-type GaAs grown on p + GaAs substrates by low-pressure metal organic chemical vapor deposition (LP-MOCVD). A pronounced peak is observed in the majority carrier (hole) emission deep-level spectra. Thermal emission rate of holes from the corresponding deep level is found to exhibit a strong electric field dependence, showing an increase of more than two orders of magnitude with an increase of the electric field by a factor of ∼2. The thermal activation energy for this level is found to vary from 0.29 to 0.61 eV as the electric field is varied from 2.8×10 5 to 1.4×10 5 V/cm. Direct pulse-filling measurements point to a temperature-dependent behavior of the hole capture cross section of this level. We identify this inadvertent deep-level defect, commonly observed in p-type GaAs grown by a variety of different methods, with the doubly charged state of the well-known As Ga antisite related defect, EL2.

  16. Charge-state dependent compaction and dissociation of protein complexes: insights from ion mobility and molecular dynamics.

    PubMed

    Hall, Zoe; Politis, Argyris; Bush, Matthew F; Smith, Lorna J; Robinson, Carol V

    2012-02-22

    Collapse to compact states in the gas phase, with smaller collision cross sections than calculated for their native-like structure, has been reported previously for some protein complexes although not rationalized. Here we combine experimental and theoretical studies to investigate the gas-phase structures of four multimeric protein complexes during collisional activation. Importantly, using ion mobility-mass spectrometry (IM-MS), we find that all four macromolecular complexes retain their native-like topologies at low energy. Upon increasing the collision energy, two of the four complexes adopt a more compact state. This collapse was most noticeable for pentameric serum amyloid P (SAP) which contains a large central cavity. The extent of collapse was found to be highly correlated with charge state, with the surprising observation that the lowest charge states were those which experience the greatest degree of compaction. We compared these experimental results with in vacuo molecular dynamics (MD) simulations of SAP, during which the temperature was increased. Simulations showed that low charge states of SAP exhibited compact states, corresponding to collapse of the ring, while intermediate and high charge states unfolded to more extended structures, maintaining their ring-like topology, as observed experimentally. To simulate the collision-induced dissociation (CID) of different charge states of SAP, we used MS to measure the charge state of the ejected monomer and assigned this charge to one subunit, distributing the residual charges evenly among the remaining four subunits. Under these conditions, MD simulations captured the unfolding and ejection of a single subunit for intermediate charge states of SAP. The highest charge states recapitulated the ejection of compact monomers and dimers, which we observed in CID experiments of high charge states of SAP, accessed by supercharging. This strong correlation between theory and experiment has implications for further

  17. Mass budgets, pathways, and equilibrium states of two hexachlorocyclohexanes in the Baltic Sea environment.

    PubMed

    Breivik, Knut; Wania, Frank

    2002-03-01

    The POPCYCLING-Baltic model, a non-steady-state multicompartmental mass balance model of long-term chemical fate in the Baltic Sea environment, is used to derive a quantitative understanding of the behavior of alpha- and gamma-hexachlorocyclohexane (HCH) from 1970 to 2000. The atmosphere is found to effectively distribute the HCHs within the Baltic Sea environment and beyond, resulting in relatively uniform concentrations in environmental compartments that do not directly receive emissions. This uniformity is the result of a large-scale redistribution of a relatively small fraction of the emitted HCHs from the agricultural systems in source areas to all other environmental compartments throughout the Baltic Sea region. The major fraction of the HCHs is degraded in the soils receiving the pesticide application. In areas where HCH-containing pesticides are used, HCHs evaporate from soils and water bodies and are advected away in the atmosphere. They are deposited to forests and water bodies when they reach remote regions. This redistribution is driven by the inclination of the HCHs to equalize their chemical potential within the environment, which is illustrated through the use of fugacity fractions. The model is believed to provide useful insight into the complex set of interactions that determine the overall fate of an environmental contaminant but which are inaccessible to measurements.

  18. Equilibrium fluctuations of liquid state static properties in a subvolume by molecular dynamics

    NASA Astrophysics Data System (ADS)

    Heyes, D. M.; Dini, D.; Smith, E. R.

    2016-09-01

    System property fluctuations increasingly dominate a physical process as the sampling volume decreases. The purpose of this work is to explore how the fluctuation statistics of various thermodynamic properties depend on the sampling volume, using molecular dynamics (MD) simulations. First an examination of various expressions for calculating the bulk pressure of a bulk liquid is made, which includes a decomposition of the virial expression into two terms, one of which is the Method of Planes (MOP) applied to the faces of the cubic simulation cell. Then an analysis is made of the fluctuations of local density, temperature, pressure, and shear stress as a function of sampling volume (SV). Cubic and spherical shaped SVs were used within a spatially homogeneous LJ liquid at a state point along the melting curve. It is shown that the MD-generated probability distribution functions (PDFs) of all of these properties are to a good approximation Gaussian even for SV containing only a few molecules (˜10), with the variances being inversely proportional to the SV volume, Ω. For small subvolumes the shear stress PDF fits better to a Gaussian than the pressure PDF. A new stochastic sampling technique to implement the volume averaging definition of the pressure tensor is presented, which is employed for cubic, spherical, thin cubic, and spherical shell SV. This method is more efficient for less symmetric SV shapes.

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

    NASA Astrophysics Data System (ADS)

    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 < Q> , 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 < Q> versus E in SEP events, and that the distribution measured in interplanetary space cannot be taken to represent that at injection.

  20. Teaching Chemical Equilibrium with the Jigsaw Technique

    NASA Astrophysics Data System (ADS)

    Doymus, Kemal

    2008-03-01

    This study investigates the effect of cooperative learning (jigsaw) versus individual learning methods on students’ understanding of chemical equilibrium in a first-year general chemistry course. This study was carried out in two different classes in the department of primary science education during the 2005-2006 academic year. One of the classes was randomly assigned as the non-jigsaw group (control) and other as the jigsaw group (cooperative). Students participating in the jigsaw group were divided into four “home groups” since the topic chemical equilibrium is divided into four subtopics (Modules A, B, C and D). Each of these home groups contained four students. The groups were as follows: (1) Home Group A (HGA), representin g the equilibrium state and quantitative aspects of equilibrium (Module A), (2) Home Group B (HGB), representing the equilibrium constant and relationships involving equilibrium constants (Module B), (3) Home Group C (HGC), representing Altering Equilibrium Conditions: Le Chatelier’s principle (Module C), and (4) Home Group D (HGD), representing calculations with equilibrium constants (Module D). The home groups then broke apart, like pieces of a jigsaw puzzle, and the students moved into jigsaw groups consisting of members from the other home groups who were assigned the same portion of the material. The jigsaw groups were then in charge of teaching their specific subtopic to the rest of the students in their learning group. The main data collection tool was a Chemical Equilibrium Achievement Test (CEAT), which was applied to both the jigsaw and non-jigsaw groups The results indicated that the jigsaw group was more successful than the non-jigsaw group (individual learning method).

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

    SciTech Connect

    Delbecq, M. R. Nakajima, T.; Otsuka, T.; Amaha, S.; Watson, J. D.; Manfra, M. J.; Tarucha, S.

    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.

  2. Ground state properties and non-equilibrium dynamics of hard-core bosons confined on optical lattices

    NASA Astrophysics Data System (ADS)

    Rigol, Marcos; Muramatsu, Alejandro

    2004-03-01

    We study by means of an exact approach, a gas of hard core bosons (HCB) confined on optical lattices. The ground state properties of such systems are analyzed. Local incompressible phases appear in the system, like in the case of interacting soft-core bosons [1] and fermions [2,3]. The changes in momentum distribution function and in the natural orbitals (effective single particle states) introduced by the formation of such phases are analyzed. We also study non-equilibrium properties for those systems, which within our numerical approach can be obtained exactly for systems with 200 particles on lattices with 3000 sites. In particular we analyze the free expansion of the gas when it is released from the trap turning off the confining potential. We show that the expansion is non-trivial (as opposed to the fermionic case) and new features to be observed in the experiments are analyzed. [1] G. G. Batrouni, V. Rousseau, R. T. Scalettar, M. Rigol, A. Muramatsu, P. J. H. Denteneer, and M. Troyer, Phys. Rev. Lett. 89, 117203 (2002). [2] M. Rigol, A. Muramatsu, G. G. Batrouni, and R. T. Scalettar, Phys. Rev. Lett. 91, 130403 (2003). [3] M. Rigol and A. Muramatsu, cond-mat/0309670 (2003).

  3. Equilibrium Electroconvective Instability

    NASA Astrophysics Data System (ADS)

    Rubinstein, I.; Zaltzman, B.

    2015-03-01

    Since its prediction 15 years ago, hydrodynamic instability in concentration polarization at a charge-selective interface has been attributed to nonequilibrium electro-osmosis related to the extended space charge which develops at the limiting current. This attribution had a double basis. On the one hand, it has been recognized that neither equilibrium electro-osmosis nor bulk electroconvection can yield instability for a perfectly charge-selective solid. On the other hand, it has been shown that nonequilibrium electro-osmosis can. The first theoretical studies in which electro-osmotic instability was predicted and analyzed employed the assumption of perfect charge selectivity for the sake of simplicity and so did the subsequent studies of various time-dependent and nonlinear features of electro-osmotic instability. In this Letter, we show that relaxing the assumption of perfect charge selectivity (tantamount to fixing the electrochemical potential of counterions in the solid) allows for the equilibrium electroconvective instability. In addition, we suggest a simple experimental test for determining the true, either equilibrium or nonequilibrium, origin of instability in concentration polarization.

  4. Excited state and charge-carrier dynamics in perovskite solar cell materials.

    PubMed

    Ponseca, Carlito S; Tian, Yuxi; Sundström, Villy; Scheblykin, Ivan G

    2016-02-26

    Organo-metal halide perovskites (OMHPs) have attracted enormous interest in recent years as materials for application in optoelectronics and solar energy conversion. These hybrid semiconductors seem to have the potential to challenge traditional silicon technology. In this review we will give an account of the recent development in the understanding of the fundamental light-induced processes in OMHPs from charge-photo generation, migration of charge carries through the materials and finally their recombination. Our and other literature reports on time-resolved conductivity, transient absorption and photoluminescence properties are used to paint a picture of how we currently see the fundamental excited state and charge-carrier dynamics. We will also show that there is still no fully coherent picture of the processes in OMHPs and we will indicate the problems to be solved by future research.

  5. Role of mid-gap states in charge transport and photoconductivity in semiconductor nanocrystal films

    PubMed Central

    Nagpal, Prashant; Klimov, Victor I.

    2011-01-01

    Colloidal semiconductor nanocrystals have attracted significant interest for applications in solution-processable devices such as light-emitting diodes and solar cells. However, a poor understanding of charge transport in nanocrystal assemblies, specifically the relation between electrical conductance in dark and under light illumination, hinders their technological applicability. Here we simultaneously address the issues of 'dark' transport and photoconductivity in films of PbS nanocrystals, by incorporating them into optical field-effect transistors in which the channel conductance is controlled by both gate voltage and incident radiation. Spectrally resolved photoresponses of these devices reveal a weakly conductive mid-gap band that is responsible for charge transport in dark. The mechanism for conductance, however, changes under illumination when it becomes dominated by band-edge quantized states. In this case, the mid-gap band still has an important role as its occupancy (tuned by the gate voltage) controls the dynamics of band-edge charges. PMID:21952220

  6. Excited state and charge-carrier dynamics in perovskite solar cell materials

    NASA Astrophysics Data System (ADS)

    Ponseca, Carlito S., Jr.; Tian, Yuxi; Sundström, Villy; Scheblykin, Ivan G.

    2016-02-01

    Organo-metal halide perovskites (OMHPs) have attracted enormous interest in recent years as materials for application in optoelectronics and solar energy conversion. These hybrid semiconductors seem to have the potential to challenge traditional silicon technology. In this review we will give an account of the recent development in the understanding of the fundamental light-induced processes in OMHPs from charge-photo generation, migration of charge carries through the materials and finally their recombination. Our and other literature reports on time-resolved conductivity, transient absorption and photoluminescence properties are used to paint a picture of how we currently see the fundamental excited state and charge-carrier dynamics. We will also show that there is still no fully coherent picture of the processes in OMHPs and we will indicate the problems to be solved by future research.

  7. Role of mid-gap states in charge transport and photoconductivity in semiconductor nanocrystal films

    SciTech Connect

    Nagpal, Prashant; Klimov, Victor I.

    2011-09-27

    Colloidal semiconductor nanocrystals have attracted significant interest for applications in solution-processable devices such as light-emitting diodes and solar cells. However, a poor understanding of charge transport in nanocrystal assemblies, specifically the relation between electrical conductance in dark and under light illumination, hinders their technological applicability. Here we simultaneously address the issues of 'dark' transport and photoconductivity in films of PbS nanocrystals, by incorporating them into optical field-effect transistors in which the channel conductance is controlled by both gate voltage and incident radiation. Spectrally resolved photoresponses of these devices reveal a weakly conductive mid-gap band that is responsible for charge transport in dark. The mechanism for conductance, however, changes under illumination when it becomes dominated by band-edge quantized states. In this case, the mid-gap band still has an important role as its occupancy (tuned by the gate voltage) controls the dynamics of band-edge charges.

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

    SciTech Connect

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    Gravejat, Philippe; Lewin, Mathieu; Séré, Éric

    2009-02-01

    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 α. 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, recovering the usual renormalization of charge: the physical coupling constant is related to α by the formula αphys ≃ α(1 + 2α/(3π) log Λ)-1, where Λ is the ultraviolet cut-off. We eventually prove an estimate on the highest number of electrons which can be bound by a nucleus of charge Z. In the nonrelativistic limit, we obtain that this number is ≤ 2 Z, recovering a result of Lieb. This work is based on a series of papers by Hainzl, Lewin, Séré and Solovej on the mean-field approximation of no-photon QED.

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

    NASA Astrophysics Data System (ADS)

    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

    NASA Astrophysics Data System (ADS)

    Ahmed, Ijaz; Hashemi, Majid; Tajuddin, Wan Ahmad

    2016-04-01

    With the current measurements performed by CMS and ATLAS experiments, the light charged Higgs scenario (m_{H^{± }} < 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 tbar{b}. The production process under consideration in this paper is pp → H^{± } → tbar{b} + h.c., where the top quark decays to W+b and W+ 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_{H^{± }}, 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.

  13. 42 CFR 457.515 - Co-payments, coinsurance, deductibles, or similar cost-sharing charges: State plan requirements.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 42 Public Health 4 2014-10-01 2014-10-01 false Co-payments, coinsurance, deductibles, or similar cost-sharing charges: State plan requirements. 457.515 Section 457.515 Public Health CENTERS FOR... Responsibilities § 457.515 Co-payments, coinsurance, deductibles, or similar cost-sharing charges: State...

  14. 42 CFR 457.515 - Co-payments, coinsurance, deductibles, or similar cost-sharing charges: State plan requirements.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 42 Public Health 4 2012-10-01 2012-10-01 false Co-payments, coinsurance, deductibles, or similar cost-sharing charges: State plan requirements. 457.515 Section 457.515 Public Health CENTERS FOR... Responsibilities § 457.515 Co-payments, coinsurance, deductibles, or similar cost-sharing charges: State...

  15. 42 CFR 457.515 - Co-payments, coinsurance, deductibles, or similar cost-sharing charges: State plan requirements.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 42 Public Health 4 2010-10-01 2010-10-01 false Co-payments, coinsurance, deductibles, or similar cost-sharing charges: State plan requirements. 457.515 Section 457.515 Public Health CENTERS FOR... Responsibilities § 457.515 Co-payments, coinsurance, deductibles, or similar cost-sharing charges: State...

  16. 42 CFR 457.515 - Co-payments, coinsurance, deductibles, or similar cost-sharing charges: State plan requirements.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 42 Public Health 4 2013-10-01 2013-10-01 false Co-payments, coinsurance, deductibles, or similar cost-sharing charges: State plan requirements. 457.515 Section 457.515 Public Health CENTERS FOR... Responsibilities § 457.515 Co-payments, coinsurance, deductibles, or similar cost-sharing charges: State...

  17. 42 CFR 457.515 - Co-payments, coinsurance, deductibles, or similar cost-sharing charges: State plan requirements.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 42 Public Health 4 2011-10-01 2011-10-01 false Co-payments, coinsurance, deductibles, or similar cost-sharing charges: State plan requirements. 457.515 Section 457.515 Public Health CENTERS FOR... Responsibilities § 457.515 Co-payments, coinsurance, deductibles, or similar cost-sharing charges: State...

  18. Identification of singlet and triplet states of negatively charged excitons in CdTe-based quantum wells

    NASA Astrophysics Data System (ADS)

    Astakhov, G. V.; Yakovlev, D. R.; Crooker, S. A.; Ossau, W.; Christianen, P. C. M.; Rudenkov, V. V.; Karczewski, G.; Wojtowicz, T.; Kossut, J.

    2004-02-01

    We present comprehensive study of negatively charged exciton in high magnetic fields for filling factors < 1. In magneto-optical spectra the fine structure was found to be contributed by neutral exciton and different a set of bound states of charged exciton. These states were identified due to their unique polarization properties charecteristics in emission and absorption spectra.

  19. Adsorption free energy of variable-charge nanoparticles to a charged surface in relation to the change of the average chemical state of the particles.

    PubMed

    Weng, Liping; Van Riemsdijk, Willem H; Hiemstra, Tjisse

    2006-01-03

    Variable-charge nanoparticles such as proteins and humics can adsorb strongly to charged macroscopic surfaces such as silica and iron oxide minerals. To model the adsorption of variable-charge particles to charged surfaces, one has to be able to calculate the adsorption free energy involved. It has been shown that the change in the free energy of variable-charge particles is related to the change in their average chemical state upon adsorption, which is commonly described using surface complexation models. In this work, expressions for the free-energy change in variable-charge particles due to changes in chemical binding are derived for three ion-binding models (i.e., the Langmuir, Langmuir-Freundlich, and NICA models) and for changes due to nonspecific binding for the Donnan model. The expressions for the adsorption free energy of the variable-charge particles to a charged surface are derived on the basis of the equality of the (electro)chemical potential of the particles in the bulk solution and adsorption phase. The expressions derived are general in the sense that they account for the competition between charge-determining ions that bind chemically to the particles, and they also apply in case of the formation of chemical bonds between particle ligands and surface sites. The derived expressions can be applied in the future to model the adsorption of variable-charge nanoparticles to charged surfaces. The results obtained for the NICA-Donnan model make it possible to apply this advanced surface complexation model to describe the adsorption of humics to minerals.

  20. Charge State of the Globular Histone Core Controls Stability of the Nucleosome

    PubMed Central

    Fenley, Andrew T.; Adams, David A.; Onufriev, Alexey V.

    2010-01-01

    Presented here is a quantitative model of the wrapping and unwrapping of the DNA around the histone core of the nucleosome that suggests a mechanism by which this transition can be controlled: alteration of the charge state of the globular histone core. The mechanism is relevant to several classes of posttranslational modifications such as histone acetylation and phosphorylation; several specific scenarios consistent with recent in vivo experiments are considered. The model integrates a description based on an idealized geometry with one based on the atomistic structure of the nucleosome, and the model consistently accounts for both the electrostatic and nonelectrostatic contributions to the nucleosome free energy. Under physiological conditions, isolated nucleosomes are predicted to be very stable (38 ± 7 kcal/mol). However, a decrease in the charge of the globular histone core by one unit charge, for example due to acetylation of a single lysine residue, can lead to a significant decrease in the strength of association with its DNA. In contrast to the globular histone core, comparable changes in the charge state of the histone tail regions have relatively little effect on the nucleosome's stability. The combination of high stability and sensitivity explains how the nucleosome is able to satisfy the seemingly contradictory requirements for thermodynamic stability while allowing quick access to its DNA informational content when needed by specific cellular processes such as transcription. PMID:20816070

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    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.

  3. Microcanonical and resource-theoretic derivations of the thermal state of a quantum system with noncommuting charges

    PubMed Central

    Yunger Halpern, Nicole; Faist, Philippe; Oppenheim, Jonathan; Winter, Andreas

    2016-01-01

    The grand canonical ensemble lies at the core of quantum and classical statistical mechanics. A small system thermalizes to this ensemble while exchanging heat and particles with a bath. A quantum system may exchange quantities represented by operators that fail to commute. Whether such a system thermalizes and what form the thermal state has are questions about truly quantum thermodynamics. Here we investigate this thermal state from three perspectives. First, we introduce an approximate microcanonical ensemble. If this ensemble characterizes the system-and-bath composite, tracing out the bath yields the system's thermal state. This state is expected to be the equilibrium point, we argue, of typical dynamics. Finally, we define a resource-theory model for thermodynamic exchanges of noncommuting observables. Complete passivity—the inability to extract work from equilibrium states—implies the thermal state's form, too. Our work opens new avenues into equilibrium in the presence of quantum noncommutation. PMID:27384494

  4. Partition Equilibrium

    NASA Astrophysics Data System (ADS)

    Feldman, Michal; Tennenholtz, Moshe

    We introduce partition equilibrium and study its existence in resource selection games (RSG). In partition equilibrium the agents are partitioned into coalitions, and only deviations by the prescribed coalitions are considered. This is in difference to the classical concept of strong equilibrium according to which any subset of the agents may deviate. In resource selection games, each agent selects a resource from a set of resources, and its payoff is an increasing (or non-decreasing) function of the number of agents selecting its resource. While it has been shown that strong equilibrium exists in resource selection games, these games do not possess super-strong equilibrium, in which a fruitful deviation benefits at least one deviator without hurting any other deviator, even in the case of two identical resources with increasing cost functions. Similarly, strong equilibrium does not exist for that restricted two identical resources setting when the game is played repeatedly. We prove that for any given partition there exists a super-strong equilibrium for resource selection games of identical resources with increasing cost functions; we also show similar existence results for a variety of other classes of resource selection games. For the case of repeated games we identify partitions that guarantee the existence of strong equilibrium. Together, our work introduces a natural concept, which turns out to lead to positive and applicable results in one of the basic domains studied in the literature.

  5. The effect of charge state on electron excitation by slow protons in simple metal

    NASA Astrophysics Data System (ADS)

    Marouf, S.; Boudouma, Y.; Chami, A. C.

    2016-01-01

    We investigate the energy and angular distributions of conduction band electrons excited by slowly moving protons. An improved method for the description of target response was developed assuming a convenient spherical symmetry of the screened potential. The velocity dependent screening parameter of the trial potential is adjusted in a self-consistent way using an extension of the Friedel sum rule. As positive projectile can be ionized or neutralized by interaction with the target, we should include the different charge states fractions of the protons to determine the doubly differential cross section (DDCS) for the secondary electron emission. A comparison of the double differential cross section using the Density Functional Theory (DFT) is presented. The energy loss of moving proton is also discussed with explicit inclusion of the different charge states and compared to the available experimental data in order to check the validity of the proposed model.

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

    SciTech Connect

    Kumaki, Masafumi; Steski, Dannie; Kanesue, Takeshi; Ikeda, Shunsuke; Okamura, Masahiro; Washio, Masakazu

    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.

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

    PubMed

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  9. Using Ion Injections to Infer the Energetic Oxygen and Sulfur Charge States in Jupiter's Inner and Middle Magnetosphere

    NASA Astrophysics Data System (ADS)

    Clark, G. B.; Mauk, B.; Paranicas, C.; Kollmann, P.; Mitchell, D. G.

    2015-12-01

    Neutral gases can, through the charge exchange processes, shape the distributions of energetic ions trapped within a planetary magnetosphere, and also redistribute the energetic ion charge states. One region where the prevalence of such processes has been proposed is the orbital region of Jupiter's moon Europa, where the existence of a neutral gas torus has been inferred. Data from the Galileo Energetic Particle Detector (EPD) showed a depletion of protons with near equatorial pitch angles near Europa, while oxygen and sulfur maintained their trapped profile as they were transported inward. The contrast in these distributions was attributed by Lagg et al. (2003) to the multiple charge states of the oxygen and sulfur, dramatically increasing the charge exchange lifetimes of these species. It was proposed that as the ions diffuse inwards across Europa's orbit and into the Io torus regions, the distributed neutral gas interactions redistribute the charge states of the heavy ions until, close to Io, these ions may be heavily depleted. And so, the charge state of the heavy ions is a critical parameter in determining whether or not these processes are taking place. Limited evidence for the multiple charged states of heavy ions was provided by Mauk et al. [1999], who analyzed three ion injection events and found evidence of multiply charged energetic oxygen and sulfur ions in two of the events, but not in the third event. Injections introduce a transient disturbance to the ion distributions, and the drift rate of disturbed ions away from the injection region depends on the charge state of the ions. In this work we revisit the Galileo EPD data set and find additional ion dispersion events from which composition can be measured and charge state can be inferred. We aspire to develop a much clearer picture as to the ordering of charge state as a function of radial distance. Results and conclusions will be presented as well as the importance from new measurements from the

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

    NASA Astrophysics Data System (ADS)

    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.

  11. Electronic precursor states of the charge density wave in NbSe 3

    NASA Astrophysics Data System (ADS)

    Schäfer, J.; Rotenberg, Eli; Kevan, S. D.; Blaha, P.; Claessen, R.; Thorne, R. E.

    2002-03-01

    The electron bands of the Peierls compound NbSe3 are mapped with angle-resolved photoemission. Data of the Fermi level crossings show the nesting condition responsible for the charge density wave along the one-dimensional axis. The instability with periodicity q=0.44 Å-1 induces a remnant backfolding of the electron bands in the nominally metallic state high above the critical temperature.

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

    NASA Technical Reports Server (NTRS)

    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. Quasi-Equilibrium States in the Tropics Simulated by a Cloud-Resolving Model. Part 1; Specific Features and Budget Analysis

    NASA Technical Reports Server (NTRS)

    Shie, C.-L.; Tao, W.-K.; Simpson, J.; Sui, C.-H.; Starr, David OC. (Technical Monitor)

    2001-01-01

    A series of long-term integrations using the two-dimensional Goddard Cumulus Ensemble (GCE) model were performed by altering imposed environmental components to produce various quasi-equilibrium thermodynamic states. Model results show that the genesis of a warm/wet quasi-equilibrium state is mainly due to either strong vertical wind shear (from nudging) or large surface fluxes (from strong surface winds), while a cold/dry quasi-equilibrium state is attributed to a remarkably weakened mixed-wind shear (from vertical mixing due to deep convection) along with weak surface winds. In general, latent heat flux and net large-scale temperature forcing, the two dominant physical processes, dominate in the beginning stage of the simulated convective systems, then considerably weaken in the final stage, which leads to quasi-equilibrium states. A higher thermodynamic regime is found to produce a larger rainfall amount, as convective clouds are the leading source of rainfall over stratiform clouds even though the former occupy much less area. Moreover, convective clouds are more likely to occur in the presence of strong surface winds (latent heat flux), while stratiform clouds (especially the well-organized type) are favored in conditions with strong wind shear (large-scale forcing). The convective systems, which consist of distinct cloud types due to the variation in horizontal winds, are also found to propagate differently. Accordingly, convective systems with mixed-wind shear generally propagate in the direction of shear, while the system with strong (multidirectional) wind shear propagates in a more complex way. Based on the results from the temperature (Q1) and moisture (Q2) budgets, cloud-scale eddies are found to act as a hydrodynamic 'vehicle' that cascades the heat and moisture vertically. Several other specific features such as atmospheric stability, CAPE, and mass fluxes are also investigated and found to be significantly different between diverse quasi-equilibrium

  14. Intramolecular charge transfer in the excited state of 4-dimethylaminobenzaldehyde and 4-dimethylaminoacetophenone

    NASA Astrophysics Data System (ADS)

    Fujiwara, Takashige; Lee, Jae-Kwang; Zgierski, Marek Z.; Lim, Edward C.

    2009-10-01

    TDDFT calculations and time-resolved transient absorption (TA) studies of the low-lying excited states of 4-dimethylaminobenzaldehyde (4-DMABA) and 4-dimethylaminoacetophenone (4-DMAAP) have been carried out to probe the mechanism of photoinduced intramolecular charge transfer (ICT). In polar acetonitrile, where dual fluorescence appears, both 4-DMABA and 4-DMAAP exhibit a TA band at about 510 nm and 490 nm, which correspond to the absorption spectra of the twisted ICT (TICT) state, with spectral characteristics that correspond to the radical anion absorptions of benzaldehyde or acetophenone. The decay time of the TICT-state absorption corresponds to that of the ICT fluorescence, indicating that the fluorescent ICT state is the TICT states.

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

    NASA Astrophysics Data System (ADS)

    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

    NASA Astrophysics Data System (ADS)

    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. SUPRATHERMAL ELECTRONS IN THE SOLAR CORONA: CAN NONLOCAL TRANSPORT EXPLAIN HELIOSPHERIC CHARGE STATES?

    SciTech Connect

    Cranmer, Steven R.

    2014-08-20

    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 Alfvén 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 perturbative description of nonlocal electron transport is applied to an existing set of wave/turbulence models. The resulting electron velocity distributions in the low corona exhibit mild suprathermal tails characterized by ''kappa'' exponents between 10 and 25. These suprathermal electrons are found to be sufficiently energetic to enhance the charge states of oxygen ions, while maintaining the same relative trend with wind speed that was found when the distribution was assumed to be Maxwellian. The updated wave/turbulence models are in excellent agreement with solar wind ion composition measurements.

  18. The Effects of Resistance to Shift of the Equilibrium State of a Liquid Droplet in Contact with a Solid.

    PubMed

    Iliev

    1999-05-01

    The effect of blocking the shift of the contact surface between a liquid drop and a solid body is discussed. The model proposed in (S. D. Iliev, 1997, J. Colloid Interface Sci., 194, 287) is discussed. This equilibrium model considers the resistance to shift by adding an energy to the classical capillary equilibrium model. It is shown that the set of equilibrium shapes of static droplets is effectively modeled. Studying the set of equilibrium axisymmetric drops, located on a horizontal surface, the analysis proves that the contact angle hysteresis is described without introducing a dependence between the resistance-to-shift coefficients and the drop volume and Bond's number. A possibility of realizing a stick-slip motion and division of the equilibrium drops is studied, too. It is shown that the equilibrium model describes also the set of equilibrium nonaxisymmetric static drops. The everyday experience to obtain the various nonaxisymmetric drop shapes by the deforming of contact line with a thin rod is numerically modeled. Copyright 1999 Academic Press.

  19. Temporal evolution of ion energy distribution functions and ion charge states of Cr and Cr-Al pulsed arc plasmas

    SciTech Connect

    Tanaka, Koichi; Anders, André

    2015-11-15

    To study the temporal evolution of ion energy distribution functions, charge-state-resolved ion energy distribution functions of pulsed arc plasmas from Cr and Cr-Al cathodes were recorded with high time resolution by using direct data acquisition from a combined energy and mass analyzer. The authors find increases in intensities of singly charged ions, which is evidence that charge exchange reactions took place in both Cr and Cr-Al systems. In Cr-Al plasmas, the distributions of high-charge-state ions exhibit high energy tails 50 μs after discharge ignition, but no such tails were observed at 500 μs. The energy ratios of ions of different charge states at the beginning of the pulse, when less neutral atoms were in the space in front of the cathode, suggest that ions are accelerated by an electric field. The situation is not so clear after 50 μs due to particle collisions. The initial mean ion charge state of Cr was about the same in Cr and in Cr-Al plasmas, but it decreased more rapidly in Cr-Al plasmas compared to the decay in Cr plasma. The faster decay of the mean ion charge state and ion energy caused by the addition of Al into a pure Cr cathode suggests that the mean ion charge state is determined not only by ionization processes at the cathode spot but also by inelastic collision between different elements.

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

    NASA Technical Reports Server (NTRS)

    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.

  1. Charge-density-wave stripe state in fractional quantum spin Hall effects

    NASA Astrophysics Data System (ADS)

    Li, Wei; Chen, Yan

    2016-02-01

    By means of finite-size exact diagonalization, we theoretically study the effect of an inter-spin interaction in a fractional quantum spin Hall system, and demonstrate that the charge-density-wave stripe state can be realized in a fractional quantum spin Hall system by tuning the strength of an inter-spin interaction, which clarifies the nature of the puzzling mysterious phase emerging in previous studies. The experimental realization of such exotic quantum state as well as its evolution in optical lattices are also discussed. These results may provide insights into the future studies of fractional topological insulators.

  2. Charge-transfer photodissociation of adsorbed molecules via electron image states

    SciTech Connect

    Jensen, E. T.

    2008-01-28

    The 248 and 193 nm photodissociations of submonolayer quantities of CH{sub 3}Br and CH{sub 3}I adsorbed on thin layers of n-hexane indicate that the dissociation is caused by dissociative electron attachment from subvacuum level photoelectrons created in the copper substrate. The characteristics of this photodissociation-translation energy distributions and coverage dependences show that the dissociation is mediated by an image potential state which temporarily traps the photoelectrons near the n-hexane-vacuum interface, and then the charge transfers from this image state to the affinity level of a coadsorbed halomethane which then dissociates.

  3. Chemical Equilibrium Models for the S3 State of the Oxygen-Evolving Complex of Photosystem II.

    PubMed

    Isobe, Hiroshi; Shoji, Mitsuo; Shen, Jian-Ren; Yamaguchi, Kizashi

    2016-01-19

    We have performed hybrid density functional theory (DFT) calculations to investigate how chemical equilibria can be described in the S3 state of the oxygen-evolving complex in photosystem II. For a chosen 340-atom model, 1 stable and 11 metastable intermediates have been identified within the range of 13 kcal mol(-1) that differ in protonation, charge, spin, and conformational states. The results imply that reversible interconversion of these intermediates gives rise to dynamic equilibria that involve processes with relocations of protons and electrons residing in the Mn4CaO5 cluster, as well as bound water ligands, with concomitant large changes in the cluster geometry. Such proton tautomerism and redox isomerism are responsible for reversible activation/deactivation processes of substrate oxygen species, through which Mn-O and O-O bonds are transiently ruptured and formed. These results may allow for a tentative interpretation of kinetic data on substrate water exchange on the order of seconds at room temperature, as measured by time-resolved mass spectrometry. The reliability of the hybrid DFT method for the multielectron redox reaction in such an intricate system is also addressed.

  4. 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.

    PubMed

    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

  5. Charge transport model in solid-state avalanche amorphous selenium and defect suppression design

    NASA Astrophysics Data System (ADS)

    Scheuermann, James R.; Miranda, Yesenia; Liu, Hongyu; Zhao, Wei

    2016-01-01

    Avalanche amorphous selenium (a-Se) in a layer of High Gain Avalanche Rushing Photoconductor (HARP) is being investigated for its use in large area medical imagers. Avalanche multiplication of photogenerated charge requires electric fields greater than 70 V μm-1. For a-Se to withstand this high electric field, blocking layers are used to prevent the injection of charge carriers from the electrodes. Blocking layers must have a high injection barrier and deep trapping states to reduce the electric field at the interface. In the presence of a defect in the blocking layer, a distributed resistive layer (DRL) must be included into the structure to build up space charge and reduce the electric field in a-Se and the defect. A numerical charge transport model has been developed to optimize the properties of blocking layers used in various HARP structures. The model shows the incorporation of a DRL functionality into the p-layer can reduce dark current at a point defect by two orders of magnitude by reducing the field in a-Se to the avalanche threshold. Hole mobility in a DRL of ˜10-8 cm2 V-1 s-1 at 100 V μm-1 as demonstrated by the model can be achieved experimentally by varying the hole mobility of p-type organic or inorganic semiconductors through doping, e.g., using Poly(9-vinylcarbozole) doped with 1%-3% (by weight) of poly(3-hexylthiopene).

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

    PubMed

    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.

  7. Multiple Charge Transfer States at Ordered and Disordered Donor/Acceptor Interfaces

    NASA Astrophysics Data System (ADS)

    Fusella, Michael; Verreet, Bregt; Lin, Yunhui; Brigeman, Alyssa; Purdum, Geoffrey; Loo, Yueh-Lin; Giebink, Noel; Rand, Barry

    The presence of charge transfer (CT) states in organic solar cells is accepted, but their role in photocurrent generation is not well understood. Here we investigate solar cells based on rubrene and C60 to show that CT state properties are influenced by molecular ordering at the donor/acceptor (D/A) interface. Crystalline rubrene films are produced with domains of 100s of microns adopting the orthorhombic phase, as confirmed by grazing incidence XRD, with the (h00) planes parallel to the substrate. C60 grown atop these films adopts a highly oriented face-centered cubic phase with the (111) plane parallel to the substrate. For this highly ordered system we have discovered the presence of four CT states. Polarized external quantum efficiency (EQE) measurements assign three of these to crystalline origins with the remaining one well aligned with the disordered CT state. Varying the thickness of a disordered blend of rubrene:C60 atop the rubrene template modulates the degree of crystallinity at the D/A interface. Strikingly, this process alters the prominence of the four CT states measured via EQE, and results in a transition from single to multiple electroluminescence peaks. These results underscore the impact of molecular structure at the heterojunction on charge photogeneration.

  8. Excited State Structural Dynamics of Carotenoids and ChargeTransfer Systems

    SciTech Connect

    Van Tassle, Aaron Justin

    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.

  9. Charge transfer excitations from excited state Hartree-Fock subsequent minimization scheme

    SciTech Connect

    Theophilou, Iris; Tassi, M.; Thanos, S.

    2014-04-28

    Photoinduced charge-transfer processes play a key role for novel photovoltaic phenomena and devices. Thus, the development of ab initio methods that allow for an accurate and computationally inexpensive treatment of charge-transfer excitations is a topic that nowadays attracts a lot of scientific attention. In this paper we extend an approach recently introduced for the description of single and double excitations [M. Tassi, I. Theophilou, and S. Thanos, Int. J. Quantum Chem. 113, 690 (2013); M. Tassi, I. Theophilou, and S. Thanos, J. Chem. Phys. 138, 124107 (2013)] to allow for the description of intermolecular charge-transfer excitations. We describe an excitation where an electron is transferred from a donor system to an acceptor one, keeping the excited state orthogonal to the ground state and avoiding variational collapse. These conditions are achieved by decomposing the space spanned by the Hartree-Fock (HF) ground state orbitals into four subspaces: The subspace spanned by the occupied orbitals that are localized in the region of the donor molecule, the corresponding for the acceptor ones and two more subspaces containing the virtual orbitals that are localized in the neighborhood of the donor and the acceptor, respectively. Next, we create a Slater determinant with a hole in the subspace of occupied orbitals of the donor and a particle in the virtual subspace of the acceptor. Subsequently we optimize both the hole and the particle by minimizing the HF energy functional in the corresponding subspaces. Finally, we test our approach by calculating the lowest charge-transfer excitation energies for a set of tetracyanoethylene-hydrocarbon complexes that have been used earlier as a test set for such kind of excitations.

  10. Magnetic field dependence of a charge-frustrated state in a triangular triple quantum dot

    NASA Astrophysics Data System (ADS)

    Seo, M.; Chung, Y.

    2013-11-01

    We studied the magnetic field dependence of a charge-frustrated state formed in a triangular triple quantum dot. Stability diagrams at various magnetic fields were measured by using two-terminal and three-terminal conductance measurement schemes. We found that the frustrated state broke down at an external magnetic field of around 0.1 T. This result is due to the confinement energy shifts in quantum dots under external magnetic fields. A similar breakdown of the frustrated state was observed when the confinement energy of a quantum dot was intentionally shifted by the plunger gate of the dot, which confirm the reason for the breakdown of the frustrated state under on applied magnetic field. Our measured stability diagrams differed depending on the measurement schemes, which could not be explained by the capacitive interaction model based on an independent particle picture. We believe that the discrepancy is related to the closed electron and hole trajectories inside a triple quantum dot.

  11. Vapor–Liquid Equilibrium and Polarization Behavior of the GCP Water Model: Gaussian Charge-on-Spring versus Dipole Self-Consistent Field Approaches to Induced Polarization

    DOE PAGES

    Chialvo, Ariel A.; Moucka, Filip; Vlcek, Lukas; ...

    2015-03-24

    Here we implemented the Gaussian charge-on-spring (GCOS) version of the original self-consistent field implementation of the Gaussian Charge Polarizable water model and test its accuracy to represent the polarization behavior of the original model involving smeared charges and induced dipole moments. Moreover, for that purpose we adapted the recently developed multiple-particle-move (MPM) within the Gibbs and isochoric-isothermal ensembles Monte Carlo methods for the efficient simulation of polarizable fluids. We also assessed the accuracy of the GCOS representation by a direct comparison of the resulting vapor-liquid phase envelope, microstructure, and relevant microscopic descriptors of water polarization along the orthobaric curve againstmore » the corresponding quantities from the actual GCP water model.« less

  12. Vapor–Liquid Equilibrium and Polarization Behavior of the GCP Water Model: Gaussian Charge-on-Spring versus Dipole Self-Consistent Field Approaches to Induced Polarization

    SciTech Connect

    Chialvo, Ariel A.; Moucka, Filip; Vlcek, Lukas; Nezbeda, Ivo

    2015-03-24

    Here we implemented the Gaussian charge-on-spring (GCOS) version of the original self-consistent field implementation of the Gaussian Charge Polarizable water model and test its accuracy to represent the polarization behavior of the original model involving smeared charges and induced dipole moments. Moreover, for that purpose we adapted the recently developed multiple-particle-move (MPM) within the Gibbs and isochoric-isothermal ensembles Monte Carlo methods for the efficient simulation of polarizable fluids. We also assessed the accuracy of the GCOS representation by a direct comparison of the resulting vapor-liquid phase envelope, microstructure, and relevant microscopic descriptors of water polarization along the orthobaric curve against the corresponding quantities from the actual GCP water model.

  13. Manipulating magnetism of MnO nano-clusters by tuning the stoichiometry and charge state.

    PubMed

    Ganguly, Shreemoyee; Kabir, Mukul; Autieri, Carmine; Sanyal, Biplab

    2015-02-11

    In this paper, we have studied the composition dependent evolution of geometric and magnetic structures of MnO clusters within density functional theory. The magnetic structures are determined by the competition between direct and superexchange interactions, which have been analyzed by the parameters obtained from maximally localized Wannier functions. The intrinsic electronic structures of the clusters have been thoroughly studied by looking into the hybridization (quantified using the Hybridization Index) and charge transfer scenario. Further, the importance of electron correlation in describing simple Mn-dimer and MnO clusters has been discussed within the Hubbard model and hybrid exchange-correlation functional. Our calculated vertical detachment energies of off-stoichiometric MnO clusters compare well with the recent experimental results. Interestingly, the charged state of the cluster strongly influences the geometry and the magnetic structure of the cluster, which are very different from the corresponding neutral counterpart. We have demonstrated that the exchange interaction between Mn atoms can be switched between ferromagnetic and anitiferromagnetic ones by changing the charge state and hence can be useful for spin-based information technology.

  14. Charge-transfer states and optical transitions at the pentacene-TiO2 interface

    NASA Astrophysics Data System (ADS)

    Ljungberg, M. P.; Vänskä, O.; Koval, P.; Koch, S. W.; Kira, M.; Sánchez-Portal, D.

    2017-03-01

    Pentacene molecules have recently been observed to form a well-ordered monolayer on the (110) surface of rutile TiO2, with the molecules adsorbed lying flat, head to tail. With the geometry favorable for direct optical excitation and given its ordered character, this interface seems to provide an intriguing model to study charge-transfer excitations where the optically excited electrons and holes reside on different sides of the organic–inorganic interface. In this work, we theoretically investigate the structural and electronic properties of this system by means of ab initio calculations and compute its excitonic absorption spectrum. Molecular states appear in the band gap of the clean TiO2 surface, which enables charge-transfer excitations directly from the molecular HOMO to the TiO2 conduction band. The calculated optical spectrum shows a strong polarization dependence and displays excitonic resonances corresponding to the charge-transfer states, which could stimulate new experimental work on the optical response of this interface.

  15. Field-induced conductance switching by charge-state alternation in organometallic single-molecule junctions

    NASA Astrophysics Data System (ADS)

    Schwarz, Florian; Kastlunger, Georg; Lissel, Franziska; Egler-Lucas, Carolina; Semenov, Sergey N.; Venkatesan, Koushik; Berke, Heinz; Stadler, Robert; Lörtscher, Emanuel

    2016-02-01

    Charge transport through single molecules can be influenced by the charge and spin states of redox-active metal centres placed in the transport pathway. These intrinsic properties are usually manipulated by varying the molecule's electrochemical and magnetic environment, a procedure that requires complex setups with multiple terminals. Here we show that oxidation and reduction of organometallic compounds containing either Fe, Ru or Mo centres can solely be triggered by the electric field applied to a two-terminal molecular junction. Whereas all compounds exhibit bias-dependent hysteresis, the Mo-containing compound additionally shows an abrupt voltage-induced conductance switching, yielding high-to-low current ratios exceeding 1,000 at bias voltages of less than 1.0 V. Density functional theory calculations identify a localized, redox-active molecular orbital that is weakly coupled to the electrodes and closely aligned with the Fermi energy of the leads because of the spin-polarized ground state unique to the Mo centre. This situation provides an additional slow and incoherent hopping channel for transport, triggering a transient charging effect in the entire molecule with a strong hysteresis and large high-to-low current ratios.

  16. State-conditional coherent charge qubit oscillations in a Si/SiGe quadruple quantum dot

    DOE PAGES

    Ward, Daniel R.; Kim, Dohun; Savage, Donald E.; ...

    2016-10-18

    Universal quantum computation requires high-fidelity single-qubit rotations and controlled two-qubit gates. Along with high-fidelity single-qubit gates, strong efforts have been made in developing robust two-qubit logic gates in electrically gated quantum dot systems to realise a compact and nanofabrication-compatible architecture. Here we perform measurements of state-conditional coherent oscillations of a charge qubit. Using a quadruple quantum dot formed in a Si/SiGe heterostructure, we show the first demonstration of coherent two-axis control of a double quantum dot charge qubit in undoped Si/SiGe, performing Larmor and Ramsey oscillation measurements. We extract the strength of the capacitive coupling between a pair of doublemore » quantum dots by measuring the detuning energy shift (≈75 μeV) of one double dot depending on the excess charge configuration of the other double dot. Finally, we further demonstrate that the strong capacitive coupling allows fast, state-conditional Landau–Zener–Stückelberg oscillations with a conditional π phase flip time of about 80 ps, showing a promising pathway towards multi-qubit entanglement and control in semiconductor quantum dots.« less

  17. State-conditional coherent charge qubit oscillations in a Si/SiGe quadruple quantum dot

    SciTech Connect

    Ward, Daniel R.; Kim, Dohun; Savage, Donald E.; Lagally, Max G.; Foote, Ryan H.; Friesen, Mark; Coppersmith, Susan N.; Eriksson, Mark A.

    2016-10-18

    Universal quantum computation requires high-fidelity single-qubit rotations and controlled two-qubit gates. Along with high-fidelity single-qubit gates, strong efforts have been made in developing robust two-qubit logic gates in electrically gated quantum dot systems to realise a compact and nanofabrication-compatible architecture. Here we perform measurements of state-conditional coherent oscillations of a charge qubit. Using a quadruple quantum dot formed in a Si/SiGe heterostructure, we show the first demonstration of coherent two-axis control of a double quantum dot charge qubit in undoped Si/SiGe, performing Larmor and Ramsey oscillation measurements. We extract the strength of the capacitive coupling between a pair of double quantum dots by measuring the detuning energy shift (≈75 μeV) of one double dot depending on the excess charge configuration of the other double dot. Finally, we further demonstrate that the strong capacitive coupling allows fast, state-conditional Landau–Zener–Stückelberg oscillations with a conditional π phase flip time of about 80 ps, showing a promising pathway towards multi-qubit entanglement and control in semiconductor quantum dots.

  18. State-conditional coherent charge qubit oscillations in a Si/SiGe quadruple quantum dot

    NASA Astrophysics Data System (ADS)

    Ward, Daniel R.; Kim, Dohun; Savage, Donald E.; Lagally, Max G.; Foote, Ryan H.; Friesen, Mark; Coppersmith, Susan N.; Eriksson, Mark A.

    2016-10-01

    Universal quantum computation requires high-fidelity single-qubit rotations and controlled two-qubit gates. Along with high-fidelity single-qubit gates, strong efforts have been made in developing robust two-qubit logic gates in electrically gated quantum dot systems to realise a compact and nanofabrication-compatible architecture. Here we perform measurements of state-conditional coherent oscillations of a charge qubit. Using a quadruple quantum dot formed in a Si/SiGe heterostructure, we show the first demonstration of coherent two-axis control of a double quantum dot charge qubit in undoped Si/SiGe, performing Larmor and Ramsey oscillation measurements. We extract the strength of the capacitive coupling between a pair of double quantum dots by measuring the detuning energy shift (≈75 μeV) of one double dot depending on the excess charge configuration of the other double dot. We further demonstrate that the strong capacitive coupling allows fast, state-conditional Landau-Zener-Stückelberg oscillations with a conditional π phase flip time of about 80 ps, showing a promising pathway towards multi-qubit entanglement and control in semiconductor quantum dots.

  19. Manipulating magnetism of MnO nano-clusters by tuning the stoichiometry and charge state

    NASA Astrophysics Data System (ADS)

    Ganguly, Shreemoyee; Kabir, Mukul; Autieri, Carmine; Sanyal, Biplab

    2015-02-01

    In this paper, we have studied the composition dependent evolution of geometric and magnetic structures of MnO clusters within density functional theory. The magnetic structures are determined by the competition between direct and superexchange interactions, which have been analyzed by the parameters obtained from maximally localized Wannier functions. The intrinsic electronic structures of the clusters have been thoroughly studied by looking into the hybridization (quantified using the Hybridization Index) and charge transfer scenario. Further, the importance of electron correlation in describing simple Mn-dimer and MnO clusters has been discussed within the Hubbard model and hybrid exchange-correlation functional. Our calculated vertical detachment energies of off-stoichiometric MnO clusters compare well with the recent experimental results. Interestingly, the charged state of the cluster strongly influences the geometry and the magnetic structure of the cluster, which are very different from the corresponding neutral counterpart. We have demonstrated that the exchange interaction between Mn atoms can be switched between ferromagnetic and anitiferromagnetic ones by changing the charge state and hence can be useful for spin-based information technology.

  20. Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution

    DOE PAGES

    Zhang, Wenkai; Kjaer, Kasper S.; Alonso-Mori, Roberto; ...

    2016-08-25

    Developing light-harvesting and photocatalytic molecules made with iron could provide a cost effective, scalable, and environmentally benign path for solar energy conversion. To date these developments have been limited by the sub-picosecond metal-to-ligand charge transfer (MLCT) electronic excited 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 MLCTmore » 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) Kβ hard X-ray fluorescence spectroscopy with femtosecond time-resolved UV-visible absorption spectroscopy to characterize the electronic excited state dynamics initiated by MLCT excitation of [Fe(CN)4(bpy)]2–. The two experimental techniques are highly complementary; the time-resolved UV-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. Here, we conclude that the MLCT excited state of [Fe(CN)4(bpy)]2– decays with roughly a 20 ps lifetime without undergoing spin crossover, exceeding the MLCT excited state lifetime of [Fe(2,2'-bipyridine)3]2+ by more than two orders of magnitude.« less

  1. Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution

    SciTech Connect

    Zhang, Wenkai; Kjaer, Kasper S.; Alonso-Mori, Roberto; Bergmann, Uwe; Chollet, Matthieu; Fredin, Lisa A.; Hadt, Ryan G.; Hartsock, Robert W.; Harlang, Tobias; Kroll, Thomas; Kubicek, Katharina; Lemke, Henrik T.; Liang, Huiyang W.; Liu, Yizhu; Nielsen, Martin M.; Persson, Petter; Robinson, Joseph S.; Solomon, Edward I.; Sun, Zheng; Sokaras, Dimosthenis; van Driel, Tim B.; Weng, Tsu -Chien; Zhu, Diling; Warnmark, Kenneth; Sundstrom, Villy; Gaffney, Kelly J.

    2016-08-25

    Developing light-harvesting and photocatalytic molecules made with iron could provide a cost effective, scalable, and environmentally benign path for solar energy conversion. To date these developments have been limited by the sub-picosecond metal-to-ligand charge transfer (MLCT) electronic excited 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) Kβ hard X-ray fluorescence spectroscopy with femtosecond time-resolved UV-visible absorption spectroscopy to characterize the electronic excited state dynamics initiated by MLCT excitation of [Fe(CN)4(bpy)]2–. The two experimental techniques are highly complementary; the time-resolved UV-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. Here, we conclude that the MLCT excited state of [Fe(CN)4(bpy)]2– decays with roughly a 20 ps lifetime without undergoing spin crossover, exceeding the MLCT excited state lifetime of [Fe(2,2'-bipyridine)3]2+ by more than two orders of magnitude.

  2. Excited-state energies and fine structure of highly charged lithiumlike ions

    NASA Astrophysics Data System (ADS)

    Li, Jin-ying; Ding, Da-jun; Wang, Zhi-wen

    2013-10-01

    The full-core-plus-correlation method (FCPC) is extended to calculate the energies and fine structures of 1s2nd and 1s2nf (n≤5) states for the lithiumlike systems with high nuclear charge from Z = 41 to 50. In calculating energy, the higher-order relativistic contribution is estimated under a hydrogenic approximation. The nonrelativistic energies and wave functions are calculated by the Rayleigh-Ritz method. The mass polarization and the relativistic corrections including the kinetic energy correction, the Darwin term, the electron-electron contact term, and the orbit-orbit interaction are calculated perturbatively as the first-order correction. The quantum-electrodynamics contributions to the energy and to the fine-structure splitting are estimated by using the effective nuclear charge formula. The excited energies, the fine structures, and other relevant term energies are given and compared with the data available in the literature.

  3. State of charge estimation of lithium-ion batteries using fractional order sliding mode observer.

    PubMed

    Zhong, Qishui; Zhong, Fuli; Cheng, Jun; Li, Hui; Zhong, Shouming

    2017-01-01

    This paper presents a state of charge (SOC) estimation method based on fractional order sliding mode observer (SMO) for lithium-ion batteries. A fractional order RC equivalent circuit model (FORCECM) is firstly constructed to describe the charging and discharging dynamic characteristics of the battery. Then, based on the differential equations of the FORCECM, fractional order SMOs for SOC, polarization voltage and terminal voltage estimation are designed. After that, convergence of the proposed observers is analyzed by Lyapunov's stability theory method. The framework of the designed observer system is simple and easy to implement. The SMOs can overcome the uncertainties of parameters, modeling and measurement errors, and present good robustness. Simulation results show that the presented estimation method is effective, and the designed observers have good performance.

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

    NASA Astrophysics Data System (ADS)

    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 <0.03 s, which rules out models of coronal transport (e.g., the 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.

  5. A Ni-Cd battery model considering state of charge and hysteresis effects

    NASA Astrophysics Data System (ADS)

    García-Plaza, M.; Serrano-Jiménez, D.; Eloy-García Carrasco, J.; Alonso-Martínez, J.

    2015-02-01

    This paper introduces an electrical battery model. Based on a Thévenin circuit with two RC parallel branches, it includes an ampère-hour counting method to estimate the state of charge (SOC) and a novel model for the hysteresis. The presented model can consider variations in its parameters under changes in all of its internal and external variables, although only SOC and hysteresis are considered. Hysteresis consideration does not only allow distinguishing the parameters during charging and discharging, but also during transients between them. The model was designed to be capable of being implemented in online and offline systems. Finally the proposed model was validated for a single Ni-Cd cell, characterized by current interruption method, in an offline system. The validation was also extended to a stack of 210 cells of the same technology.

  6. Two charged states of hydrogen on the SrTiO{sub 3}(001) surface

    SciTech Connect

    Takeyasu, Kotaro Fukada, Keisuke; Ogura, Shohei; Matsumoto, Masuaki; Fukutani, Katsuyuki

    2014-02-28

    The effects of hydrogen exposure on the electronic structure of two types of SrTiO{sub 3}(001) surfaces, oxygen-deficient (OD) and nearly-vacancy-free (NVF) surfaces, were investigated with ultraviolet photoemission spectroscopy and nuclear reaction analysis. Upon molecular hydrogen exposure to the OD surface which reveals in-gap states at 1.3 eV below the Fermi level, the in-gap state intensity was reduced to half the initial value at a hydrogen coverage of 0.9 ± 0.7 × 10{sup 14} cm{sup −2}. On the NVF surface which has no in-gap state, on the other hand, atomic-hydrogen exposure induced in-gap states, and the hydrogen saturation coverage was evaluated to be 3.1 ± 0.8 × 10{sup 14} cm{sup −2}. We argue that H is positively charged as H{sup ∼0.3+} on the NVF surface by being coordinated to the O atom, whereas H is negatively charged as H{sup −} on the OD surface by occupying the oxygen vacancy site. The stability of H{sup −} at the oxygen vacancy site is discussed.

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

    PubMed

    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

    2016-12-07

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  9. Detecting equilibrium cytochrome c folding intermediates by electrospray ionisation mass spectrometry: Two partially folded forms populate the molten-globule state

    PubMed Central

    Grandori, Rita

    2002-01-01

    Nanoelectrospray ionization mass spectrometry (nano-ESI-MS) is applied to the characterization of ferric cytochromec (cytc) conformational states under different solvent conditions. The methanol-induced molten-globule state in the pH range 2.6–3.0 is found to be populated by two distinct, partially folded conformers IA and IB. The more compact intermediate IB resembles that induced by glycerol in acid-unfolded cytc. The less compact one, IA, also can be induced by destabilization of the native structure by trifluoroethanol. IA and IB can be detected, in the absence of additives, around the midpoint of the acid-induced unfolding transition, providing direct evidence for involvement of equilibrium folding intermediates in cytc conformational transitions at low pH. This study shows that mass spectrometry can contribute to the characterization of molten-globule states of proteins by detection of distinct, although poorly populated, conformations involved in a dynamic equilibrium. PMID:11847268

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

    NASA Astrophysics Data System (ADS)

    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.

  11. A Comparative Study of Charges Made Through an Automated Circulation System in the Colorado State University Libraries.

    ERIC Educational Resources Information Center

    Burns, Robert W.

    To determine use of portions of the collections at Colorado State University libraries and to identify heavily used sections, the collections were divided into 204 blocks according to Library of Congress classification letters. The number of charges made in each block was counted during a 1975 quarter for patrons, charges made to the reserve desk,…

  12. Photochemical charge separation within aromatic hydrazines and the effect of excited-state intervalence in dihydrazines.

    PubMed

    Nelsen, Stephen F; Konradsson, Asgeir E; Weaver, Michael N; Guzei, Ilia A; Goebel, Mark; Wortmann, Rüdiger; Lockard, Jenny V; Zink, Jeffrey I

    2005-12-08

    Photolysis into the longest wavelength absorption band of 2-tert-butyl-2,3-diazabicyclo[2.2.2]oct-3-yl hydrazine (Hy) substituted naphthalenes causes aryl group reduction electron transfer to give (+)Hy-Ar(-). Electrooptical absorption measurements characterize the charge separation properties from these bands. Emission studies demonstrate that the separation between absorption and emission maxima for symmetrically disubstituted compounds is smaller than that for monosubstituted compounds, which is attributed to excited-state intervalence. The excited-state diabatic surfaces may be described as a Hy(+)-NA(- )-Hy(0), Hy(0)-NA(-)-Hy(+) pair, for which electronic interaction produces a double minimum that qualitatively resembles that in the ground state of the disubstituted intervalence radical cations.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    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).

  15. Excited state two photon absorption of a charge transfer radical dimer in the near infrared.

    PubMed

    Schiccheri, Nicola; Meneghetti, Moreno

    2005-06-02

    Nonlinear transmission measurements of a solution of radical dimers of tetramethyl-tetrathiafulvalene, (TMTTF+)2, recorded with 9 ns laser pulses at 1064 nm are reported and interpreted on the basis of a multiphoton absorption process. One finds that the process can be interpreted with a sequence of three photon absorption, the first being a one photon absorption related to the intermolecular charge transfer process characteristic of the dimers and the second a two photon absorption from the excited state created with the first process. A model calculation allows one to obtain the value of the two photon absorption cross section which is found to be several orders of magnitude larger than those usually found for two photon absorbing systems excited from the ground state. These results show the importance of an excited-state population for obtaining large nonlinear optical responses.

  16. Generation of excited coherent states for a charged particle in a uniform magnetic field

    SciTech Connect

    Mojaveri, B.; Dehghani, A. E-mail: alireza.dehghani@gmail.com

    2015-04-15

    We introduce excited coherent states, |β,α;nгЂ‰≔a{sup †n}|β,αгЂ‰, where n is an integer and states |β,αгЂ‰ denote the coherent states of a charged particle in a uniform magnetic field. States |β,αгЂ‰ minimize the Schrödinger-Robertson uncertainty relation while having the nonclassical properties. It has been shown that the resolution of identity condition is realized with respect to an appropriate measure on the complex plane. Some of the nonclassical features such as sub-Poissonian statistics and quadrature squeezing of these states are investigated. Our results are compared with similar Agarwal’s type photon added coherent states (PACSs) and it is shown that, while photon-counting statistics of |β,α,nгЂ‰ are the same as PACSs, their squeezing properties are different. It is also shown that for large values of |β|, while they are squeezed, they minimize the uncertainty condition. Additionally, it has been demonstrated that by changing the magnitude of the external magnetic field, B{sub ext}, the squeezing effect is transferred from one component to another. Finally, a new scheme is proposed to generate states |β,α;nгЂ‰ in cavities. .

  17. Determination of Peptide and Protein Ion Charge States by Fourier Transformation of Isotope-Resolved Mass Spectra

    SciTech Connect

    Tabb, Dave L; Shah, Manesh B; Strader, Michael B; Connelly, Heather M; Hettich, Robert {Bob} L; Hurst, Gregory {Greg} B

    2006-01-01

    We report an automated method for determining charge states from high-resolution mass spectra. Fourier transforms of isotope packets from high-resolution mass spectra are compared to Fourier transforms of modeled isotopic peak packets for a range of charge states. The charge state for the experimental ion packet is determined by the model isotope packet that yields the best match in the comparison of the Fourier transforms. This strategy is demonstrated for determining peptide ion charge states from 'zoom scan' data from a linear quadrupole ion trap mass spectrometer, enabling the subsequent automated identification of singly-through quadruply-charged peptide ions, while reducing the numbers of conflicting identifications from ambiguous charge state assignments. We also apply this technique to determine the charges of intact protein ions from LC-FTICR data, demonstrating that it is more sensitive under these experimental conditions than two existing algorithms. The strategy outlined in this paper should be generally applicable to mass spectra obtained from any instrument capable of isotopic resolution.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    SciTech Connect

    Blom, Alex Jason

    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.

  20. Future prospects for ECR plasma generators with improved charge state distributions

    SciTech Connect

    Alton, G.D.; Liu, Y.

    1997-06-01

    The growing number and variety of fundamental, applied, and industrial uses for high intensity, high charge state ion beams continues to be the driving force behind efforts to develop Electron Cyclotron Resonance (ECR) ion sources with superior performance characteristics. Incumbent with the advent of sub-micron electronic devices and their fabrication has been the demand for improved process control and optimization. These demands have led to the development of methods for cleaning, chemical etching, and deposition of thin films based on the use of plasma devices including ECR sources. Despite the steady advance in the technology, ECR plasma heating has not yet reached its full potential in terms of charge state and intensity within a particular charge state, in part, because of the narrow band width, single-frequency microwave radiation commonly used to heat the plasma electrons. This heating technique, coupled with conventional minimum-B configuration magnetic fields used for confining the electrons, resulting in the formation of the thin, ECR surfaces within the plasma volumes of these sources. This report identifies fundamentally important methods for enhancing the performances of ECR plasma generators by transforming the ECR zones from surfaces to volumes. Two methods are readily available for increasing the sizes of these zones. These techniques include: (1) a tailored magnetic field configuration in combination with single-frequency microwave radiation to create a large uniformly distributed ECR volume and; (2) the use of broadband-frequency domain techniques derived from standard TWT technology, to transform the resonant plasma surfaces of traditional ECR ion sources into resonant plasma volumes.

  1. Distinguishing between keto-enol and acid-base forms of firefly oxyluciferin through calculation of excited-state equilibrium constants.

    PubMed

    Falklöf, Olle; Durbeej, Bo

    2014-11-15

    Although recent years have seen much progress in the elucidation of the mechanisms underlying the bioluminescence of fireflies, there is to date no consensus on the precise contributions to the light emission from the different possible forms of the chemiexcited oxyluciferin (OxyLH2) cofactor. Here, this problem is investigated by the calculation of excited-state equilibrium constants in aqueous solution for keto-enol and acid-base reactions connecting six neutral, monoanionic and dianionic forms of OxyLH2. Particularly, rather than relying on the standard Förster equation and the associated assumption that entropic effects are negligible, these equilibrium constants are for the first time calculated in terms of excited-state free energies of a Born-Haber cycle. Performing quantum chemical calculations with density functional theory methods and using a hybrid cluster-continuum approach to describe solvent effects, a suitable protocol for the modeling is first defined from benchmark calculations on phenol. Applying this protocol to the various OxyLH2 species and verifying that available experimental data (absorption shifts and ground-state equilibrium constants) are accurately reproduced, it is then found that the phenolate-keto-OxyLH(-) monoanion is intrinsically the preferred form of OxyLH2 in the excited state, which suggests a potential key role for this species in the bioluminescence of fireflies.

  2. Direct Evidence for Projectile Charge-State Dependent Crater Formation Due to Fast Ions

    SciTech Connect

    Papaleo, R. M.; Silva, M. R.; Leal, R.; Grande, P. L.; Roth, M.; Schattat, B.; Schiwietz, G.

    2008-10-17

    We report on craters formed by individual 3 MeV/u Au{sup q{sub i}{sub n}{sub i}{sup +}} ions of selected incident charge states q{sub ini} penetrating thin layers of poly(methyl methacrylate). Holes and raised regions are formed around the region of the impact, with sizes that depend strongly and differently on q{sub ini}. Variation of q{sub ini}, of the film thickness and of the angle of incidence allows us to extract information about the depth of origin contributing to different crater features.

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

    NASA Astrophysics Data System (ADS)

    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.

  4. Spin-charge separation of dark-state polaritons in a Rydberg medium

    NASA Astrophysics Data System (ADS)

    Shi, Xiao-Feng; Svetlichnyy, P.; Kennedy, T. A. B.

    2016-04-01

    The propagation of light fields through a quasi one-dimensional cold atomic gas, exciting atomic Rydberg levels of large principal quantum number under conditions of electromagnetically induced transparency, can lead to a stable two-mode Luttinger liquid system. Atomic van der Waals interactions induce a coupling of bosonic field modes that display both photonic and atomic character, the Rydberg dark-state polaritons (RDPs). It is shown that by tunable control of the van der Waals coupling, the RDP may decouple into independent ‘spin’ and ‘charge’ fields which propagate at different speeds, analogous to spin-charge separation of electrons in a one-dimensional metal.

  5. Charge-state related effects in sputtering of LiF by swift heavy ions

    NASA Astrophysics Data System (ADS)

    Assmann, W.; Ban-d'Etat, B.; Bender, M.; Boduch, P.; Grande, P. L.; Lebius, H.; Lelièvre, D.; Marmitt, G. G.; Rothard, H.; Seidl, T.; Severin, D.; Voss, K.-O.; Toulemonde, M.; Trautmann, C.

    2017-02-01

    Sputtering experiments with swift heavy ions in the electronic energy loss regime were performed by using the catcher technique in combination with elastic recoil detection analysis. The angular distribution of particles sputtered from the surface of LiF single crystals is composed of a jet-like peak superimposed on a broad isotropic distribution. By using incident ions of fixed energy but different charges states, the influence of the electronic energy loss on both components is probed. We find indications that isotropic sputtering originates from near-surface layers, whereas the jet component may be affected by contributions from depth up to about 150 nm.

  6. Charge state of sputtered impurity ions near a limiter or divertor in a tokamak

    SciTech Connect

    Boley, C.D.; Brooks, J.N.; Kim, Y.K.

    1983-03-01

    Many impurity atoms sputtered from a limiter or divertor plate are ionized in the scrapeoff zone and return to the sputtering surface bacause of friction with incoming plasma ions. The final charge state attained by such impurities has been calculated for a variety of plasma edge conditions. The surface materials considered are tungsten, beryllium, beryllium oxide, and carbon. Estimates of the successive ionization cross sections for tungsten are developed. In all cases examined, returning impurity ions are found to be multiply ionized. This implies a significant energy gain in the sheath region, with important implications for self-sputtering of redeposited surface material.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  9. Environmental controls on storm intensity and charge structure in multiple regions of the continental United States

    NASA Astrophysics Data System (ADS)

    Fuchs, Brody R.; Rutledge, Steven A.; Bruning, Eric C.; Pierce, Jeffrey R.; Kodros, John K.; Lang, Timothy J.; MacGorman, Donald R.; Krehbiel, Paul R.; Rison, William

    2015-07-01

    A database consisting of approximately 4000 storm observations has been objectively analyzed to determine environmental characteristics that produce high radar reflectivities above the freezing level, large total lightning flash rates on the order of 10 flashes per minute, and anomalous vertical charge structures (most notably, dominant midlevel positive charge). The storm database is drawn from four regions of the United States featuring distinct environments, each with coinciding Lightning Mapping Array (LMA) network data. LMAs are able to infer total lightning flash rates using flash clustering algorithms, such as the one implemented in this study. Results show that anomalous charge structures inferred from LMA data, significant lightning flash rates, and increased radar reflectivities above the freezing level tend to be associated with environments that have high cloud base heights (approximately 3 km above ground level) and large atmospheric instability, quantified by normalized convective available potential energy (NCAPE) near 0.2 m s-2. Additionally, we infer that aerosols may affect storm intensity. Maximum flash rates were observed in storms with attributed aerosol concentrations near 1000 cm-3, while total flash rates decrease when aerosol concentrations exceed 1500 cm-3, consistent with previous studies. However, this effect is more pronounced in regions where the NCAPE and cloud base height are low. The dearth of storms with estimated aerosol concentrations less than 700 cm-3 (approximately 1% of total sample) does not provide a complete depiction of aerosol invigoration.

  10. Organic heterojunctions: Contact-induced molecular reorientation, interface states, and charge re-distribution

    PubMed Central

    Opitz, Andreas; Wilke, Andreas; Amsalem, Patrick; Oehzelt, Martin; Blum, Ralf-Peter; Rabe, Jürgen P.; Mizokuro, Toshiko; Hörmann, Ulrich; Hansson, Rickard; Moons, Ellen; Koch, Norbert

    2016-01-01

    We reveal the rather complex interplay of contact-induced re-orientation and interfacial electronic structure – in the presence of Fermi-level pinning – at prototypical molecular heterojunctions comprising copper phthalocyanine (H16CuPc) and its perfluorinated analogue (F16CuPc), by employing ultraviolet photoelectron and X-ray absorption spectroscopy. For both layer sequences, we find that Fermi-level (EF) pinning of the first layer on the conductive polymer substrate modifies the work function encountered by the second layer such that it also becomes EF-pinned, however, at the interface towards the first molecular layer. This results in a charge transfer accompanied by a sheet charge density at the organic/organic interface. While molecules in the bulk of the films exhibit upright orientation, contact formation at the heterojunction results in an interfacial bilayer with lying and co-facial orientation. This interfacial layer is not EF-pinned, but provides for an additional density of states at the interface that is not present in the bulk. With reliable knowledge of the organic heterojunction’s electronic structure we can explain the poor performance of these in photovoltaic cells as well as their valuable function as charge generation layer in electronic devices. PMID:26887445

  11. Optoelectronic control of surface charge and translocation dynamics in solid-state nanopores

    PubMed Central

    Di Fiori, Nicolas; Squires, Allison; Bar, Daniel; Gilboa, Tal; Moustakas, Theodore D.; Meller, Amit

    2013-01-01

    Nanopores can be used to detect and analyse biomolecules. However, controlling and tuning the translocation speed of molecules through a pore is difficult, limiting the wider application of these sensors. Here we show that low-power visible light can be used to control surface charge in solid-state nanopores and can influence the translocation dynamics of DNA and proteins. We find that laser light precisely focused at a nanopore can induce reversible negative surface charge densities as high as 1 C/m2, and that the effect is tuneable on sub-millisecond timescales by adjusting the photon density. By modulating surface charge, we can control the amount of electro-osmotic flow through the nanopore, which affects the speed of translocating biomolecules. In particular, a few mW of green light can reduce the translocation speed of double-stranded DNA by more than an order of magnitude and the translocation speed of small globular proteins such as ubiquitin by more than two orders of magnitude. The laser light can also be used to unclog blocked pores. Finally, we discuss a mechanism to account for the observed optoelectronic phenomenon. PMID:24185943

  12. Iron charge states in the solar wind as measured by SMS on Wind

    NASA Technical Reports Server (NTRS)

    Galvin, A. B.; Cohen, C. M. S.; Ipavich, F. M.; Gloeckler, G.; Hamilton, D. C.; Chotoo, K.; Balsiger, H.; Sheldon, R.

    1995-01-01

    The Wind spacecraft was launched in November 1994. In the first half of 1995 it was in the interplanetary medium upstream of the Earth. The Solar Wind and Suprathermal Ion Composition Experiment (SMS) on Wind consists of three sensors, the Solar Wind Ion Composition Spectrometer (SWICS), the Suprathermal Ion Composition Spectrometer (STICS), and the high mass resolution spectrometer (MASS). All three instruments utilize electrostatic deflection combined with time-of-flight measurement. The data from these three sensors allows the determination of the ionic composition of the solar wind in a variety of solar wind conditions over a large energy/charge range (0.5 to 230 keV/e). We have examined the Wind database for time periods conducive to observing solar wind iron. With the high mass resolution of the MASS spectrometer (M/Delta-M greater than 100) iron is easily identified while the electrostatic deflection provides information concerning the mass/charge distribution. We present here the relative abundance of iron charge states in the solar wind near 1 AU.

  13. Non-Equilibrium Ionization Modeling of Coronal Mass Ejections

    NASA Astrophysics Data System (ADS)

    Rimple, Remington; Murphy, Nicholas Arnold; Shen, Chengcai

    2017-01-01

    Coronal Mass Ejections, or CMEs, are solar events that eject plasma and magnetic flux into interplanetary space. Contemporary sources have noted that the onset of CMEs are caused by some instability of the coronal magnetic field, and further allows heating of plasma upon expansion. Additionally, plasma that leaves the lower solar corona does not remain in ionization equilibrium due to the rapid expansion of plasma. We investigate the evolution of charge states of CME plasma using non-equilibrium ionization (NEI) modeling. These NEI models include radiative cooling and serve as baseline studies for special cases where no heat is being added to the plasma. Each of the simulated CMEs have initial conditions characteristic of active regions. Various function inputs, such as initial temperature, density and final velocity, allow us to examine the influence of certain parameters on the charge state evolution. The results of our project show that plasma originating from active regions display charge state evolutions substantially dependent on initial density and temperature. The CMEs starting with higher plasma density often show an abundance of lower charge states above the freeze-in height. Simulations starting from higher temperatures often show abundance peaks at charge states with closed electron shells.

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

    SciTech Connect

    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

  15. Combined State of Charge and State of Health estimation over lithium-ion battery cell cycle lifespan for electric vehicles

    NASA Astrophysics Data System (ADS)

    Zou, Yuan; Hu, Xiaosong; Ma, Hongmin; Li, Shengbo Eben

    2015-01-01

    A combined SOC (State Of Charge) and SOH (State Of Health) estimation method over the lifespan of a lithium-ion battery is proposed. First, the SOC dependency of the nominal parameters of a first-order RC (resistor-capacitor) model is determined, and the performance degradation of the nominal model over the battery lifetime is quantified. Second, two Extended Kalman Filters with different time scales are used for combined SOC/SOH monitoring: the SOC is estimated in real-time, and the SOH (the capacity and internal ohmic resistance) is updated offline. The time scale of the SOH estimator is determined based on model accuracy deterioration. The SOC and SOH estimation results are demonstrated by using large amounts of testing data over the battery lifetime.

  16. Intraligand Charge Transfer in Pt(qol)(2). Characterization of Electronic States by High-Resolution Shpol'skii Spectroscopy.

    PubMed

    Donges, Dirk; Nagle, Jeffrey K.; Yersin, Hartmut

    1997-07-02

    Pt(qol)(2) (qol(-) = 8-quinolinolato-O,N) is investigated in the Shpol'skii matrices n-heptane, n-octane-h(18), n-octane-d(18), n-nonane, and n-decane, respectively. For the first time, highly resolved triplet phosphorescence as well as triplet and singlet excitation spectra are obtained at T = 1.2 K by site-selective spectroscopy. This permits the detailed characterization of the low-lying singlet and triplet states which are assigned to result mainly from intraligand charge transfer (ILCT) transitions. The electronic origin corresponding to the (3)ILCT lies at 15 426 cm(-)(1) (FWHM approximately 3 cm(-)(1)) exhibiting a zero-field splitting smaller than 1 cm(-)(1), which shows that the metal d-orbital contribution to the (3)ILCT is small. At T = 1.2 K, the three triplet sublevels emit independently due to slow spin-lattice relaxation (slr) processes. Therefore, the phosphorescence decays triexponentially with components of 4.5, 13, and 60 &mgr;s. Interestingly, two of the sublevels can be excited selectively, which leads to a distinct spin polarization manifested by a biexponential decay. At T = 20 K, the decay becomes monoexponential with tau = 10 &mgr;s due to a fast slr between the triplet sublevels. From the Zeeman splitting of the (3)ILCT the g-factor is determined to be 2.0 as expected for a relatively pure spin triplet. The (1)ILCT has its electronic origin at 18 767 cm(-)(1) and exhibits a homogeneous line width of about 12 cm(-)(1). This feature allows us to estimate a singlet-triplet intersystem crossing rate of about 2 x 10(12) s(-)(1). This relatively large rate compared to values found for closed shell metal M(qol)(n)() compounds displays the importance of spin-orbit coupling induced by the heavy metal ion. Moreover, this small admixture leads to the relatively short emission decay times. All spectra show highly resolved vibrational satellite structures. These patterns provide information about vibrational energies (which are in good accordance with

  17. Re-creation of aerosol charge state found near HV power lines using a high voltage corona charger

    NASA Astrophysics Data System (ADS)

    Matthews, J. C.; Wright, M. D.; Biddiscombe, M. F.; Underwood, R.; Usmani, O. S.; Shallcross, D. E.; Henshaw, D. L.

    2015-10-01

    Corona ionisation from AC HV power lines (HVPL) can release ions into the environment, which have the potential to electrically charge pollutant aerosol in the atmosphere. It has been hypothesised that these charged particles have an enhanced probability of being deposited in human airways upon inhalation due to electrostatic attraction by image charge within the lung, with implications for human health. Carbonaceous aerosol particles from a Technegas generator were artificially charge-enhanced using a corona charger. Once generated, particles were passed through the charger, which was either on or off, and stored in a 15 litre conducting bag for ∼20 minutes to observe size and charge distribution changes over time. Charge states were estimated using two Sequential Mobility Particle Sizers measuring the size and mobility distributions. Charge-neutral particles were measured 7 times and positive particles 9 times, the average charge-neutral value of x was 1.00 (sd = 0.06) while the average positive value was 4.60 (0.72). The system will be used to generate positive or charge neutral particles for delivery to human volunteers in an inhalation study to assess the impact of charge on ultrafine (size < 100 nm) particle deposition.

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

    PubMed

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

    PubMed Central

    Biswas, Rudro R.; Son, Dam Thanh

    2016-01-01

    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. PMID:27436906

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

    PubMed

    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

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

    PubMed

    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.

  2. Response reactions: equilibrium coupling.

    PubMed

    Hoffmann, Eufrozina A; Nagypal, Istvan

    2006-06-01

    It is pointed out and illustrated in the present paper that if a homogeneous multiple equilibrium system containing k components and q species is composed of the reactants actually taken and their reactions contain only k + 1 species, then we have a unique representation with (q - k) stoichiometrically independent reactions (SIRs). We define these as coupling reactions. All the other possible combinations with k + 1 species are the coupled reactions that are in equilibrium when the (q - k) SIRs are in equilibrium. The response of the equilibrium state for perturbation is determined by the coupling and coupled equilibria. Depending on the circumstances and the actual thermodynamic data, the effect of coupled equilibria may overtake the effect of the coupling ones, leading to phenomena that are in apparent contradiction with Le Chatelier's principle.

  3. Characterization of size, surface charge, and agglomeration state of nanoparticle dispersions for toxicological studies

    NASA Astrophysics Data System (ADS)

    Jiang, Jingkun; Oberdörster, Günter; Biswas, Pratim

    2009-01-01

    Characterizing the state of nanoparticles (such as size, surface charge, and degree of agglomeration) in aqueous suspensions and understanding the parameters that affect this state are imperative for toxicity investigations. In this study, the role of important factors such as solution ionic strength, pH, and particle surface chemistry that control nanoparticle dispersion was examined. The size and zeta potential of four TiO2 and three quantum dot samples dispersed in different solutions (including one physiological medium) were characterized. For 15 nm TiO2 dispersions, the increase of ionic strength from 0.001 M to 0.1 M led to a 50-fold increase in the hydrodynamic diameter, and the variation of pH resulted in significant change of particle surface charge and the hydrodynamic size. It was shown that both adsorbing multiply charged ions (e.g., pyrophosphate ions) onto the TiO2 nanoparticle surface and coating quantum dot nanocrystals with polymers (e.g., polyethylene glycol) suppressed agglomeration and stabilized the dispersions. DLVO theory was used to qualitatively understand nanoparticle dispersion stability. A methodology using different ultrasonication techniques (bath and probe) was developed to distinguish agglomerates from aggregates (strong bonds), and to estimate the extent of particle agglomeration. Probe ultrasonication performed better than bath ultrasonication in dispersing TiO2 agglomerates when the stabilizing agent sodium pyrophosphate was used. Commercially available Degussa P25 and in-house synthesized TiO2 nanoparticles were used to demonstrate identification of aggregated and agglomerated samples.

  4. Electrooptical Absorption Measurements (EOAM) Testify Existence of two Conformers of Prodan and Laurdan with Different Dipole Moments in Equilibrium Ground and Franck-Condon Excited State.

    PubMed

    Nemkovich, N A; Detert, H; Roeder, N

    2016-09-01

    The results from the electrooptical absorption measurements (EOAM) on the equilibrium ground and excited Franck-Condon state dipole moments of Prodan and Laurdan in 1,4-dioxane are presented. As follows from experiments Prodan and Laurdan in the equilibrium ground and excited Franck-Condon state have two conformers with considerably different dipole moments. The electrical dipole moments and the transition dipole moment, obtained from the short-wavelength region of the absorption spectrum are parallel. The electrical dipole moments measured at the long-wavelength spectral region are parallel to each other but not parallel to the transition dipole moment m a. The angle θ between the transition dipole moment m a and the dipole moment in the equilibrium ground state μ g of the long-wavelength conformer is about 30(0) for both probes. Obtained results evidence that donor-acceptor pairs of the short-wavelength and long-wavelength conformers are not located on the same axis. Two low-energy conformers of Prodan have been found by density functional theory (DFT) calculations, differing in the orientation of the carbonyl group towards the naphthalene system.

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

    PubMed

    Pelton, Matthew; Tang, Yun; Bakr, Osman M; Stellacci, Francesco

    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.

  6. Chiral and nonchiral edge states in quantum Hall systems with charge density modulation

    NASA Astrophysics Data System (ADS)

    Szumniak, Paweł; Klinovaja, Jelena; Loss, Daniel

    2016-06-01

    We consider a system of weakly coupled wires with quantum Hall effect (QHE) and in the presence of a spatially periodic modulation of the chemical potential along the wire, equivalent to a charge density wave (CDW). We investigate the competition between the two effects which both open a gap. We show that by changing the ratio between the amplitudes of the CDW modulation and the tunneling between wires, one can switch between nontopological CDW-dominated phase to topological QHE-dominated phase. Both phases host edge states of chiral and nonchiral nature robust to on-site disorder. However, only in the topological phase, the edge states are immune to disorder in the phase shifts of the CDWs. We provide analytical solutions for filling factor ν =1 and study numerically effects of disorder as well as present numerical results for higher filling factors.

  7. Shift charge and spin photocurrents in Dirac surface states of topological insulator

    NASA Astrophysics Data System (ADS)

    Kim, Kun Woo; Morimoto, Takahiro; Nagaosa, Naoto

    2017-01-01

    The generation of photocurrent in condensed matter is of main interest for photovoltaic and optoelectronic applications. Shift current, a nonlinear photoresponse, has attracted recent intensive attention as a dominant player of bulk photovoltaic effect in ferroelectric materials. In three-dimensional topological insulators Bi2X3 (X =Te , Se), we find that Dirac surface states with a hexagonal warping term support shift current by linearly polarized light. Moreover, we study "shift spin current" that arises in Dirac surface states by introducing time-reversal symmetry breaking perturbation. The estimate for the magnitudes of the shift charge and spin current densities are 0.13 I0 and 0.40 I0 (nA/m) for Bi2Te3 with the intensity of light I0 measured in (W/m2) , respectively, which can offer a useful method to generate these currents efficiently.

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

    NASA Astrophysics Data System (ADS)

    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.

  9. Quartz resonator state-of-charge monitor for lead-acid batteries

    NASA Astrophysics Data System (ADS)

    Cernosek, R. W.; Martin, S. J.; Wessendorf, K. O.; Rumpf, A. N.

    We have demonstrated that a thickness shear mode quartz resonator can be used as a real-time, in situ monitor of the state-of-charge of lead-acid batteries. The resonator is sensitive to changes in the density and viscosity of the sulfuric acid electrolyte. Both of these liquid parameters vary monotonically with the battery state-of-charge. This new monitor is more precise than sampling hydrometers, and since it is compatible with the corrosive electrolyte environment, it can be used for in situ monitoring. A TSM resonator consists of gold electrodes deposited on opposite surfaces of a thin AT-cut quartz crystal. When an RF voltage is applied to the electrodes, a shear strain is introduced in the piezoelectric quartz and mechanical resonance occurs between the surfaces. A liquid in contact with one of the quartz surfaces is viscously entrained, which perturbs the resonant frequency and resonance magnitude. If the surface is smooth, the changes in both frequency and magnitude are proportional to (rho(eta))(exp (1/2)), where rho is the liquid density and eta is the viscosity.

  10. Quartz resonator state-of-charge monitor for lead-acid batteries

    SciTech Connect

    Cernosek, R.W.; Martin, S.J.; Wessendorf, K.O.; Rumpf, A.N.

    1994-06-01

    We have demonstrated that a thickness shear mode quartz resonator can be used as a real-time, in situ monitor of the state-of-charge of lead-acid batteries. The resonator is sensitive to hanges in the density and viscosity of the sulfuric acid electrolyte. Both of these liquid parameters vary monotonically with the battery state-of-charge. This new monitor is more precise than sampling hydrometers, and since it is compatible with the Corrosive electrolyte environment, it can be used for in situ monitoring. A TSM resonator consists of gold electrodes deposited on opposite surfaces of a thin AT-cut quartz crystal. When an RF voltage is applied to the electrodes, a shear strain is introduced in the piezoelectric quartz and mechanical resonance occurs between the surfaces. A liquid in contact with one of the quartz surfaces is viscously entrained, which perturbs the resonant frequency and resonance magnitude. If the surface is smooth, the changes in both frequency and magnitude are proportional to ({rho}{eta}) {sup {1/2}}, where {rho} is the liquid density and {eta} is the viscosity.

  11. Magnetic measurements of the transuranium elements and charge state characterization of actinides in monazite. Progress report

    SciTech Connect

    Huray, P. G.

    1980-01-01

    A micromagnetic susceptometer for the purpose of measuring extremely small sample quantities (on the microgram level) was designed, constructed, and calibrated in previous years. (The 1979 progress report gives details of its operation.) This device has operated without significant downtime in this funding period, and much progress has been made in the magnetic characterization of elements beyond Am in the periodic table. This program has roughly doubled man's knowledge of magnetism in Cm, Bk, and Cf, and includes the only Es magnetic measurements to date. The incorporation of an automatic data collection system in this period has made analysis much more accurate, and has allowed quicker turnaround of compounds and metals for study. Results obtained for the compounds and metals studied this year are summarized. The lanthanide orthophosphates are being investigated as an alternate means of primary containment for high-level actinide wastes. Researchers at the Oak Ridge National Laboratory are involved in preparation of actinide-doped compounds for all of the lanthanide transition series (La through Lu) for a study of leaching characteristics and E.S.R. classification. To aid this study the charge state of /sup 237/Np or /sup 57/Fe has been identified, either in the as-prepared compounds or following radioactive decay of /sup 241/Am via the Moessbauer Effect. The final charge state will be an influential variable in the immobilization characteristics of the waste products stored in this synthetic monazite form. 10 figures, 1 table. (RWR)

  12. Hospitalization Frequency and Charges for Neurocysticercosis, United States, 2003–2012

    PubMed Central

    Flecker, Robert H.

    2015-01-01

    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. PMID:25988221

  13. Constraints on CME Evolution from in situ Observations of Ionic Charge States

    NASA Technical Reports Server (NTRS)

    Gruesbeck, Jacob R.; Lepri, Susan T.; Zurbuchen, Thomas H.; Antiochos, Spiro K.

    2010-01-01

    We present a novel procedure for deriving the physical properties of Coronal Mass Ejections (CMES) in the corona. Our methodology uses in-situ measurements of ionic charge states of C, O, Si and Fe in the heliosphere and interprets them in the context of a model for the early evolution of ICME plasma, between 2 - 5 R-solar. We find that the data can be fit only by an evolution that consists of an initial heating of the plasma, followed by an expansion that ultimately results in cooling. The heating profile is consistent with a compression of coronal plasma due to flare reconnect ion jets and an expansion cooling due to the ejection, as expected from the standard CME/flare model. The observed frozen-in ionic charge states reflect this time-history and, therefore, provide important constraints for the heating and expansion time-scales, as well as the maximum temperature the CME plasma is heated to during its eruption. Furthermore, our analysis places severe limits on the possible density of CME plasma in the corona. We discuss the implications of our results for CME models and for future analysis of ICME plasma composition.

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

    NASA Astrophysics Data System (ADS)

    Lu, W.; Qian, C.; Sun, L. T.; Zhang, X. Z.; Fang, X.; Guo, J. W.; Yang, Y.; Feng, Y. C.; Ma, B. H.; Xiong, B.; Ruan, L.; Zhao, H. W.; Zhan, W. L.; Xie, D.

    2016-02-01

    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 O7+, 620 eμA of Ar11+, 430 eμA of Ar12+, 430 eμA of Xe20+, and so on. The comparison will be discussed in the paper.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    SciTech Connect

    Dvoeglazov, Valeriy V.

    2013-07-23

    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 (two concepts which are frequently confused in the literature) for Dirac and Majorana states have been discussed.

  17. Fuzzy modelling for the state-of-charge estimation of lead-acid batteries

    NASA Astrophysics Data System (ADS)

    Burgos, Claudio; Sáez, Doris; Orchard, Marcos E.; Cárdenas, Roberto

    2015-01-01

    This paper introduces a novel fuzzy model based structure for the characterisation of discharge processes in lead-acid batteries. This structure is based on a fuzzy model that characterises the relationship between the battery open-circuit voltage (Voc), the state of charge (SoC), and the discharge current. The model is identified and validated using experimental data that is obtained from an experimental system designed to test battery banks with several charge/discharge profiles. For model identification purposes, two standard experimental tests are implemented; one of these tests is used to identify the Voc-SoC curve, while the other helps to identify additional parameters of the model. The estimation of SoC is performed using an Extended Kalman Filter (EKF) with a state transition equation that is based on the proposed fuzzy model. Performance of the proposed estimation framework is compared with other parametric approaches that are inspired on electrical equivalents; e.g., Thevenin, Plett, and Copetti.

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

    SciTech Connect

    Lu, W. Qian, C.; Sun, L. T.; Zhang, X. Z.; Feng, Y. C.; Ma, B. H.; Zhao, H. W.; Zhan, W. L.; Fang, X.; Guo, J. W.; Yang, Y.; Xiong, B.; Ruan, L.; Xie, D.

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  20. Electron capture into large-l Rydberg states of multiply charged ions escaping from solid surfaces

    NASA Astrophysics Data System (ADS)

    Nedeljković, N.; Nedeljković, Lj.; Mirković, M.

    2003-07-01

    We have investigated the electron capture into large-l Rydberg states of multiply charged ionic projectiles (e.g., the core charges Z=6, 7, and 8) escaping solid surfaces with intermediate velocities (v≈1 a.u.) in the normal emergence geometry. A model of the nonresonant electron capture from the solid conduction band into the moving large angular-momentum Rydberg states of the ions is developed through a generalization of our results obtained previously for the low-l cases (l=0, 1, and 2). The model is based on the two-wave-function dynamics of the Demkov-Ostrovskii type. The electron exchange process is described by a mixed flux through a moving plane (“Firsov plane”), placed between the solid surface and the ionic projectile. Due to low eccentricities of the large-l Rydberg systems, the mixed flux must be evaluated through the whole Firsov plane. It is for this purpose that a suitable asymptotic method is developed. For intermediate ionic velocities and for all relevant values of the principal quantum number n≈Z, the population probability Pnl is obtained as a nonlinear l distribution. The theoretical predictions concerning the ions S VI, Cl VII, and Ar VIII are compared with the available results of the beam-foil experiments.