Self-similar expansion of adiabatic electronegative dusty plasma

NASA Astrophysics Data System (ADS)

Shahmansouri, M.; Bemooni, A.; Mamun, A. A.

2017-12-01

The self-similar expansion of an adiabatic electronegative dusty plasma (consisting of inertialess adiabatic electrons, inertialess adiabatic ions and inertial adiabatic negatively charged dust fluids) is theoretically investigated by employing the self-similar approach. It is found that the effects of the plasma adiabaticity (represented by the adiabatic index ) and dusty plasma parameters (determined by dust temperature and initial dust population) significantly modify the nature of the plasma expansion. The implications of our results are expected to play an important role in understanding the physics of the expansion of space and laboratory electronegative dusty plasmas.

Self-consistent field model for strong electrostatic correlations and inhomogeneous dielectric media.

PubMed

Ma, Manman; Xu, Zhenli

2014-12-28

Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these effects in the framework of the self-consistent field theory. The model incorporates a space- or field-dependent dielectric permittivity and an excluded ion-size effect for the correlation energy. This results in a self-energy modified Poisson-Nernst-Planck or Poisson-Boltzmann equation together with state equations for the self energy and the dielectric function. We show that the ionic size is of significant importance in predicting a finite self energy for an ion in an inhomogeneous medium. Asymptotic approximation is proposed for the solution of a generalized Debye-Hückel equation, which has been shown to capture the ionic correlation and dielectric self energy. Through simulating ionic distribution surrounding a macroion, the modified self-consistent field model is shown to agree with particle-based Monte Carlo simulations. Numerical results for symmetric and asymmetric electrolytes demonstrate that the model is able to predict the charge inversion at high correlation regime in the presence of multivalent interfacial ions which is beyond the mean-field theory and also show strong effect to double layer structure due to the space- or field-dependent dielectric permittivity.

Suppression of Space Charge Induced Beam Halo in Nonlinear Focusing Channel

DOE PAGES

Batygin, Yuri Konstantinovich; Scheinker, Alexander; Kurennoy, Sergey; ...

2016-01-29

An intense non-uniform particle beam exhibits strong emittance growth and halo formation in focusing channels due to nonlinear space charge forces of the beam. This phenomenon limits beam brightness and results in particle losses. The problem is connected with irreversible distortion of phase space volume of the beam in conventional focusing structures due to filamentation in phase space. Emittance growth is accompanied by halo formation in real space, which results in inevitable particle losses. We discuss a new approach for solving a self-consistent problem for a matched non-uniform beam in two-dimensional geometry. The resulting solution is applied to the problemmore » of beam transport, while avoiding emittance growth and halo formation by the use of nonlinear focusing field. Conservation of a beam distribution function is demonstrated analytically and by particle-in-cell simulation for a beam with a realistic beam distribution.« less

Design of long induction linacs

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

Caporaso, G.J.; Cole, A.G.

1990-09-06

A self-consistent design strategy for induction linacs is presented which addresses the issues of brightness preservation against space charge induced emittance growth, minimization of the beam breakup instability and the suppression of beam centroid motion due to chromatic effects (corkscrew) and misaligned focusing elements. A simple steering algorithm is described that widens the effective energy bandwidth of the transport system.

Orbitals, Occupation Numbers, and Band Structure of Short One-Dimensional Cadmium Telluride Polymers.

PubMed

Valentine, Andrew J S; Talapin, Dmitri V; Mazziotti, David A

2017-04-27

Recent work found that soldering CdTe quantum dots together with a molecular CdTe polymer yielded field-effect transistors with much greater electron mobility than quantum dots alone. We present a computational study of the CdTe polymer using the active-space variational two-electron reduced density matrix (2-RDM) method. While analogous complete active-space self-consistent field (CASSCF) methods scale exponentially with the number of active orbitals, the active-space variational 2-RDM method exhibits polynomial scaling. A CASSCF calculation using the (48o,64e) active space studied in this paper requires 10 24 determinants and is therefore intractable, while the variational 2-RDM method in the same active space requires only 2.1 × 10 7 variables. Natural orbitals, natural-orbital occupations, charge gaps, and Mulliken charges are reported as a function of polymer length. The polymer, we find, is strongly correlated, despite possessing a simple sp 3 -hybridized bonding scheme. Calculations reveal the formation of a nearly saturated valence band as the polymer grows and a charge gap that decreases sharply with polymer length.

NASA charging analyzer program: A computer tool that can evaluate electrostatic contamination

NASA Technical Reports Server (NTRS)

Stevens, N. J.; Roche, J. C.; Mandell, M. J.

1978-01-01

A computer code, the NASA Charging Analyzer Program (NASCAP), was developed to study the surface charging of bodies subjected to geomagnetic substorm conditions. This program will treat the material properties of a surface in a self-consistent manner and calculate the electric fields in space due to the surface charge. Trajectories of charged particles in this electric field can be computed to determine if these particles enhance surface contamination. A preliminary model of the Spacecraft Charging At The High Altitudes (SCATHA) satellite was developed in the NASCAP code and subjected to a geomagnetic substorm environment to investigate the possibility of electrostatic contamination. The results indicate that differential voltages will exist between the spacecraft ground surfaces and the insulator surfaces. The electric fields from this differential charging can enhance the contamination of spacecraft surfaces.

EBQ code: Transport of space-charge beams in axially symmetric devices

NASA Astrophysics Data System (ADS)

Paul, A. C.

1982-11-01

Such general-purpose space charge codes as EGUN, BATES, WODF, and TRANSPORT do not gracefully accommodate the simulation of relativistic space-charged beams propagating a long distance in axially symmetric devices where a high degree of cancellation has occurred between the self-magnetic and self-electric forces of the beam. The EBQ code was written specifically to follow high current beam particles where space charge is important in long distance flight in axially symmetric machines possessing external electric and magnetic field. EBQ simultaneously tracks all trajectories so as to allow procedures for charge deposition based on inter-ray separations. The orbits are treated in Cartesian geometry (position and momentum) with z as the independent variable. Poisson's equation is solved in cylindrical geometry on an orthogonal rectangular mesh. EBQ can also handle problems involving multiple ion species where the space charge from each must be included. Such problems arise in the design of ion sources where different charge and mass states are present.

Experiments on Plasma Turbulence Created by Supersonic Plasma Flows with Shear

DTIC Science & Technology

2014-04-01

for producing a plasma column (in black). An insulated wire traverses the plasma and car - ries a pulsed current in x-direction. The unmagnetized ions... electric field which together with the B field around the wire causes an electron ExB drift. The ions are unmagnetized. A radial space charge electric field...by the self-consistent currents passing through the grid. These currents, consisting of electron and ion flows, are controlled by the electrical

Modeling and simulation of RF photoinjectors for coherent light sources

NASA Astrophysics Data System (ADS)

Chen, Y.; Krasilnikov, M.; Stephan, F.; Gjonaj, E.; Weiland, T.; Dohlus, M.

2018-05-01

We propose a three-dimensional fully electromagnetic numerical approach for the simulation of RF photoinjectors for coherent light sources. The basic idea consists in incorporating a self-consistent photoemission model within a particle tracking code. The generation of electron beams in the injector is determined by the quantum efficiency (QE) of the cathode, the intensity profile of the driving laser as well as by the accelerating field and magnetic focusing conditions in the gun. The total charge emitted during an emission cycle can be limited by the space charge field at the cathode. Furthermore, the time and space dependent electromagnetic field at the cathode may induce a transient modulation of the QE due to surface barrier reduction of the emitting layer. In our modeling approach, all these effects are taken into account. The beam particles are generated dynamically according to the local QE of the cathode and the time dependent laser intensity profile. For the beam dynamics, a tracking code based on the Lienard-Wiechert retarded field formalism is employed. This code provides the single particle trajectories as well as the transient space charge field distribution at the cathode. As an application, the PITZ injector is considered. Extensive electron bunch emission simulations are carried out for different operation conditions of the injector, in the source limited as well as in the space charge limited emission regime. In both cases, fairly good agreement between measurements and simulations is obtained.

Simulation of stationary glow patterns in dielectric barrier discharges at atmospheric pressure

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

Liu, Fucheng, E-mail: hdlfc@hbu.cn; He, Yafeng; Dong, Lifang

2014-12-15

Self-organized stationary patterns in dielectric barrier discharges operating in glow regime at atmospheric pressure are investigated by a self-consistent two-dimensional fluid model. The simulation results show that two different modes, namely, the diffuse mode and the static patterned mode, can be formed in different ranges of the driving frequency. The discharge operates in Townsend regime in the diffuse mode, while it operates in a glow regime inside the filaments and in a Townsend regime outside the filaments in the stable pattered mode. The forming process of the stationary filaments can be divided into three stages, namely, destabilizing stage, self-assembling stage,more » and stable stage. The space charge associated with residual electron density and surface charge is responsible for the formation of these stationary glow patterns.« less

A fluid description of plasma double-layers

NASA Technical Reports Server (NTRS)

Levine, J. S.; Crawford, F. W.

1979-01-01

The space-charge double-layer that forms between two plasmas with different densities and thermal energies was investigated using three progressively realistic models which are treated by fluid theory, and take into account four species of particles: electrons and ions reflected by the double-layer, and electrons and ions transmitted through it. The two plasmas are assumed to be cold, and the self-consistent potential, electric field and space-charge distributions within the double-layer are determined. The effects of thermal velocities are taken into account for the reflected particles, and the modifications to the cold plasma solutions are established. Further modifications due to thermal velocities of the transmitted particles are examined. The applicability of a one dimensional fluid description, rather than plasma kinetic theory, is discussed. Theoretical predictions are compared with double layer potentials and lengths deduced from laboratory and space plasma experiments.

A computer model of solar panel-plasma interactions

NASA Technical Reports Server (NTRS)

Cooke, D. L.; Freeman, J. W.

1980-01-01

High power solar arrays for satellite power systems are presently being planned with dimensions of kilometers, and with tens of kilovolts distributed over their surface. Such systems face many plasma interaction problems, such as power leakage to the plasma, particle focusing, and anomalous arcing. These effects cannot be adequately modeled without detailed knowledge of the plasma sheath structure and space charge effects. Laboratory studies of 1 by 10 meter solar array in a simulated low Earth orbit plasma are discussed. The plasma screening process is discussed, program theory is outlined, and a series of calibration models is presented. These models are designed to demonstrate that PANEL is capable of accurate self consistant space charge calculations. Such models include PANEL predictions for the Child-Langmuir diode problem.

Numerical experiments on charging of a spherical body in a plasma with Maxwellian distributions of charged particles

NASA Astrophysics Data System (ADS)

Krasovsky, Victor L.; Kiselyov, Alexander A.

2017-12-01

New results of numerical simulation of collisionless plasma perturbation caused by a sphere absorbing electrons and ions are presented. Consideration is given to nonstationary phenomena accompanying the process of charging as well as to plasma steady state reached at long times. Corresponding asymptotic values of charges of the sphere and trapped-ion cloud around it have been found along with self-consistent electric field pattern depending on parameters of the unperturbed plasma. It is established that contribution of the trapped ions to screening of the charged sphere can be quite significant, so that the screening becomes essentially nonlinear in nature. A simple interconnection between the sphere radius, electron and ion Debye lengths has been revealed as the condition for maximum trapped-ion effect. Kinetic structure of the space charge induced in the plasma is discussed with relation to the specific form of the unperturbed charged particle distribution functions.

Fractional-dimensional Child-Langmuir law for a rough cathode

NASA Astrophysics Data System (ADS)

Zubair, M.; Ang, L. K.

2016-07-01

This work presents a self-consistent model of space charge limited current transport in a gap combined of free-space and fractional-dimensional space (Fα), where α is the fractional dimension in the range 0 < α ≤ 1. In this approach, a closed-form fractional-dimensional generalization of Child-Langmuir (CL) law is derived in classical regime which is then used to model the effect of cathode surface roughness in a vacuum diode by replacing the rough cathode with a smooth cathode placed in a layer of effective fractional-dimensional space. Smooth transition of CL law from the fractional-dimensional to integer-dimensional space is also demonstrated. The model has been validated by comparing results with an experiment.

A temperature dependent study on charge dynamics in organic molecular device: Effect of shallow traps on space charge limited behavior

NASA Astrophysics Data System (ADS)

Mukherjee, A. K.; Kavala, A. K.

2014-04-01

Shallow traps play a significant role in influencing charge dynamics through organic molecular thin films, such as pentacene. Sandwich cells of pentacene capped by gold electrodes are an excellent specimen to study the nature of underlying charge dynamics. In this paper, self-consistent numerical simulation of I-V characteristics is performed at various temperatures. The results have revealed negative value of Poole Frenkel coefficient. The location of trap energy level is found to be located at 0.24 eV above the highest occupied molecular orbit (HOMO) level of pentacene. Other physical parameters related to trap levels, such as density of states due to traps and effective carrier density due to traps, have also been estimated in this study.

Three dimensional δf simulations of beams in the SSC

NASA Astrophysics Data System (ADS)

Koga, J.; Tajima, T.; Machida, S.

1993-12-01

A three dimensional δf strong-strong algorithm has been developed to apply to the study of such effects as space charge and beam-beam interaction phenomena in the Superconducting Super Collider (SSC). The algorithm is obtained from the merging of the particle tracking code Simpsons used for 3 dimensional space charge effects and a δf code. The δf method is used to follow the evolution of the non-gaussian part of the beam distribution. The advantages of this method are twofold. First, the Simpsons code utilizes a realistic accelerator model including synchrotron oscillations and energy ramping in 6 dimensional phase space with electromagnetic fields of the beams calculated using a realistic 3 dimensional field solver. Second, the beams are evolving in the fully self-consistent strong-strong sense with finite particle fluctuation noise is greatly reduced as opposed to the weak-strong models where one beam is fixed.

Numerical simulation of ion charge breeding in electron beam ion source

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

Zhao, L., E-mail: zhao@far-tech.com; Kim, Jin-Soo

2014-02-15

The Electron Beam Ion Source particle-in-cell code (EBIS-PIC) tracks ions in an EBIS electron beam while updating electric potential self-consistently and atomic processes by the Monte Carlo method. Recent improvements to the code are reported in this paper. The ionization module has been improved by using experimental ionization energies and shell effects. The acceptance of injected ions and the emittance of extracted ion beam are calculated by extending EBIS-PIC to the beam line transport region. An EBIS-PIC simulation is performed for a Cs charge-breeding experiment at BNL. The charge state distribution agrees well with experiments, and additional simulation results ofmore » radial profiles and velocity space distributions of the trapped ions are presented.« less

Solar Wind Access to Lunar Polar Craters: Feedback Between Surface Charging and Plasma Expansion

NASA Technical Reports Server (NTRS)

Zimmerman, M. I.; Farrell, W. M.; Stubbs, T. J.; Halekas, J. S.; Jackson, T. L.

2011-01-01

Determining the plasma environment within permanently shadowed lunar craters is critical to understanding local processes such as surface charging, electrostatic dust transport, volatile sequestration, and space weathering. In order to investigate the nature of this plasma environment, the first two-dimensional kinetic simulations of solar wind expansion into a lunar crater with a self-consistent plasma-surface interaction have been undertaken. The present results reveal how the plasma expansion into a crater couples with the electrically-charged lunar surface to produce a quasi-steady wake structure. In particular, there is a negative feedback between surface charging and ambipolar wake potential that allows an equilibrium to be achieved, with secondary electron emission strongly moderating the process. A range of secondary electron yields is explored, and two distinct limits are highlighted in which either surface charging or ambipoiar expansion is responsible for determining the overall wake structure.

Ground-Based High-Power Microwave Decoy Discrimination System.

DTIC Science & Technology

1987-12-23

understanding of plasma instabilities, self-induced magnetic effects , space - charge considerations, production of ion currents, etc. 3.3.4 Cross-Field...breakdown, due to small potential differences. Interaction volumes can therefore be large, avoiding breakdown and space - charge effects (at the price...the interference of the incident and reflected wave, and by the electrostatic forces of the surface (positive) and space charge (negative) trapped in

Efficient mixing scheme for self-consistent all-electron charge density

NASA Astrophysics Data System (ADS)

Shishidou, Tatsuya; Weinert, Michael

2015-03-01

In standard ab initio density-functional theory calculations, the charge density ρ is gradually updated using the ``input'' and ``output'' densities of the current and previous iteration steps. To accelerate the convergence, Pulay mixing has been widely used with great success. It expresses an ``optimal'' input density ρopt and its ``residual'' Ropt by a linear combination of the densities of the iteration sequences. In large-scale metallic systems, however, the long range nature of Coulomb interaction often causes the ``charge sloshing'' phenomenon and significantly impacts the convergence. Two treatments, represented in reciprocal space, are known to suppress the sloshing: (i) the inverse Kerker metric for Pulay optimization and (ii) Kerker-type preconditioning in mixing Ropt. In all-electron methods, where the charge density does not have a converging Fourier representation, treatments equivalent or similar to (i) and (ii) have not been described so far. In this work, we show that, by going through the calculation of Hartree potential, one can accomplish the procedures (i) and (ii) without entering the reciprocal space. Test calculations are done with a FLAPW method.

Numerical Studies of High-Intensity Injection Painting for Project X

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

Drozhdin, A.I.; Vorobiev, L.G.; Johnson, D.E.

Injection phase space painting enables the mitigation of space charge and stability issues, and will be indispensable for the Project-X at Fermilab [1], delivering high-intensity proton beams to HEP experiments. Numerical simulations of multi-turn phase space painting have been performed for the FNAL Recycler Ring, including a self-consistent space charge model. The goal of our studies was to study the injection painting with inclusion of 3D space charge, using the ORBIT tracking code. In a current scenario the painting lasts for 110 turns, twice faster, than we considered in this paper. The optimal wave-forms for painting kickers, which ensure themore » flatter phase distributions, should be found. So far we used a simplified model for painting kicker strength (implemented as the 'ideal bump' in ORBIT). We will include a more realistic field map for the chicane magnets. Additional stripping simulations will be combined. We developed a block for longitudinal painting, which works with arbitrary notches in incoming micro-bunch buckets. The appropriate choice of the amplitude of the second harmonic of RF field will help to flatten the RF-bucket contours, as was demonstrated in 1D simulations. Non-linear lattice issue will be also addressed.« less

Electrostatic ion thruster optics calculations

NASA Technical Reports Server (NTRS)

Whealton, John H.; Kirkman, David A.; Raridon, R. J.

1992-01-01

Calculations have been performed which encompass both a self-consistent ion source extraction plasma sheath and the primary ion optics including sheath and electrode-induced aberrations. Particular attention is given to the effects of beam space charge, accelerator geometry, and properties of the downstream plasma sheath on the position of the electrostatic potential saddle point near the extractor electrode. The electron blocking potential blocking is described as a function of electrode thickness and secondary plasma processes.

Self-pulsing in a low-current hollow cathode discharge: From Townsend to glow discharge

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

Qin, Yu; School of Aerospace Engineering, Beijing Institute of Technology, Beijing 100081; Xie, Kan, E-mail: xiekan@bit.edu.cn

We investigate the self-pulsing phenomenon of a low current cavity discharge in a cylindrical hollow cathode in pure argon. The waveforms of pulsed current and voltage are measured, and the time-averaged and time-resolved images of hollow cathode discharge are recorded by using high-speed intensified charge coupled device camera. The results show that the self-pulsing is a mode transition between low-current stage of Townsend discharge and high-current stage of glow discharge. During the self-pulsing, the current rising time relates to the dissipation of space charges, and the decay time relates to the reconstruction of the virtual anode by the accumulation ofmore » positive ions. Whether or not space charges can form and keep the virtual anode is responsible for the discharge mode and hence plays an important role in the self-pulsing phenomenon in low current hollow cathode discharge.« less

Fractional-dimensional Child-Langmuir law for a rough cathode

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

Zubair, M., E-mail: muhammad-zubair@sutd.edu.sg; Ang, L. K., E-mail: ricky-ang@sutd.edu.sg

This work presents a self-consistent model of space charge limited current transport in a gap combined of free-space and fractional-dimensional space (F{sup α}), where α is the fractional dimension in the range 0 < α ≤ 1. In this approach, a closed-form fractional-dimensional generalization of Child-Langmuir (CL) law is derived in classical regime which is then used to model the effect of cathode surface roughness in a vacuum diode by replacing the rough cathode with a smooth cathode placed in a layer of effective fractional-dimensional space. Smooth transition of CL law from the fractional-dimensional to integer-dimensional space is also demonstrated. The model has beenmore » validated by comparing results with an experiment.« less

Analysis of a high brightness photo electron beam with self field and wake field effects

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

Parsa, Z.

High brightness sources are the basic ingredients in the new accelerator developments such as Free-Electron Laser experiments. The effects of the interactions between the highly charged particles and the fields in the accelerating structure, e.g. R.F., Space charge and Wake fields can be detrimental to the beam and the experiments. We present and discuss the formulation used, some simulation and results for the Brookhaven National Laboratory high brightness beam that illustrates effects of the accelerating field, space charge forces (e.g. due to self field of the bunch), and the wake field (e.g. arising from the interaction of the cavity surfacemore » and the self field of the bunch).« less

Self-force on a point charge and linear source in the space of a screw dislocation

NASA Astrophysics Data System (ADS)

Azevedo, Sérgio; Moraes, Fernando

2000-03-01

Using a description of defect in solids in terms of three-dimensional gravity, we determine the eletrostatic self-force acting on a point teste charge and a linear source in the presence of a screw dislocation.

Self-Energy in the Gott-Hiscock Space-Time

NASA Astrophysics Data System (ADS)

Khusnutdinov, Nail R.; Bezerra, Valdir B.

We calculate the self-energy for an electrically charged particle at rest in the background of Gott-Hiscock cosmic string space-time. The self-energy continuously falls down out-ward from string's with maximum at the origin of the string. The plots of the numerical of the self-energy and the height of barrier are shown.

Quasi-stationary states and fermion pair creation from a vacuum in supercritical Coulomb field

NASA Astrophysics Data System (ADS)

Khalilov, V. R.

2017-12-01

Creation of charged fermion pair from a vacuum in so-called supercritical Coulomb potential is examined for the case when fermions can move only in the same (one) plane. In which case, quantum dynamics of charged massive or massless fermions can be described by the two-dimensional Dirac Hamiltonians with an usual (-a/r) Coulomb potential. These Hamiltonians are singular and require the additional definition in order for them to be treated as self-adjoint quantum-mechanical operators. We construct the self-adjoint two-dimensional Dirac Hamiltonians with a Coulomb potential and determine the quantum-mechanical states for such Hamiltonians in the corresponding Hilbert spaces of square-integrable functions. We determine the scattering amplitude in which the self-adjoint extension parameter is incorporated and then obtain equations implicitly defining possible discrete energy spectra of the self-adjoint Dirac Hamiltonians with a Coulomb potential. It is shown that this quantum system becomes unstable in the presence of a supercritical Coulomb potential which manifests in the appearance of quasi-stationary states in the lower (negative) energy continuum. The energy spectrum of those states is quasi-discrete, consists of broadened levels with widths related to the inverse lifetimes of the quasi-stationary states as well as the probability of creation of charged fermion pair by a supercritical Coulomb field. Explicit analytical expressions for the creation probabilities of charged (massive or massless) fermion pair are obtained in a supercritical Coulomb field.

New dimensions for wound strings: The modular transformation of geometry to topology

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

McGreevy, John; Silverstein, Eva; Starr, David

2007-02-15

We show, using a theorem of Milnor and Margulis, that string theory on compact negatively curved spaces grows new effective dimensions as the space shrinks, generalizing and contextualizing the results in E. Silverstein, Phys. Rev. D 73, 086004 (2006).. Milnor's theorem relates negative sectional curvature on a compact Riemannian manifold to exponential growth of its fundamental group, which translates in string theory to a higher effective central charge arising from winding strings. This exponential density of winding modes is related by modular invariance to the infrared small perturbation spectrum. Using self-consistent approximations valid at large radius, we analyze this correspondencemore » explicitly in a broad set of time-dependent solutions, finding precise agreement between the effective central charge and the corresponding infrared small perturbation spectrum. This indicates a basic relation between geometry, topology, and dimensionality in string theory.« less

Space charge limited current emission for a sharp tip

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

Zhu, Y. B., E-mail: zhuyingbin@gmail.com; Ang, L. K., E-mail: ricky-ang@sutd.edu.sg

In this paper, we formulate a self-consistent model to study the space charge limited current emission from a sharp tip in a dc gap. The tip is assumed to have a radius in the order of 10s nanometer. The electrons are emitted from the tip due to field emission process. It is found that the localized current density J at the apex of the tip can be much higher than the classical Child Langmuir law (flat surface). A scaling of J ∝ V{sub g}{sup 3/2}/D{sup m}, where V{sub g} is the gap bias, D is the gap size, and m = 1.1–1.2more » (depending on the emission area or radius) is proposed. The effects of non-uniform emission and the spatial dependence of work function are presented.« less

When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical.

PubMed

Voufack, Ariste Bolivard; Claiser, Nicolas; Lecomte, Claude; Pillet, Sébastien; Pontillon, Yves; Gillon, Béatrice; Yan, Zeyin; Gillet, Jean Michel; Marazzi, Marco; Genoni, Alessandro; Souhassou, Mohamed

2017-08-01

Joint refinement of X-ray and polarized neutron diffraction data has been carried out in order to determine charge and spin density distributions simultaneously in the nitronyl nitroxide (NN) free radical Nit(SMe)Ph. For comparison purposes, density functional theory (DFT) and complete active-space self-consistent field (CASSCF) theoretical calculations were also performed. Experimentally derived charge and spin densities show significant differences between the two NO groups of the NN function that are not observed from DFT theoretical calculations. On the contrary, CASSCF calculations exhibit the same fine details as observed in spin-resolved joint refinement and a clear asymmetry between the two NO groups.

Studies of dynamic processes related to active experiments in space plasmas

NASA Technical Reports Server (NTRS)

Banks, Peter M.; Neubert, Torsten

1992-01-01

This is the final report for grant NAGw-2055, 'Studies of Dynamic Processes Related to Active Experiments in Space Plasmas', covering research performed at the University of Michigan. The grant was awarded to study: (1) theoretical and data analysis of data from the CHARGE-2 rocket experiment (1keV; 1-46 mA electron beam ejections) and the Spacelab-2 shuttle experiment (1keV; 100 mA); (2) studies of the interaction of an electron beam, emitted from an ionospheric platform, with the ambient neutral atmosphere and plasma by means of a newly developed computer simulation model, relating model predictions with CHARGE-2 observations of return currents observed during electron beam emissions; and (3) development of a self-consistent model for the charge distribution on a moving conducting tether in a magnetized plasma and for the potential structure in the plasma surrounding the tether. Our main results include: (1) the computer code developed for the interaction of electrons beams with the neutral atmosphere and plasma is able to model observed return fluxes to the CHARGE-2 sounding rocket payload; and (2) a 3-D electromagnetic and relativistic particle simulation code was developed.

Structure, stability, and thermodynamics of lamellar DNA-lipid complexes.

PubMed Central

Harries, D; May, S; Gelbart, W M; Ben-Shaul, A

1998-01-01

We develop a statistical thermodynamic model for the phase evolution of DNA-cationic lipid complexes in aqueous solution, as a function of the ratios of charged to neutral lipid and charged lipid to DNA. The complexes consist of parallel strands of DNA intercalated in the water layers of lamellar stacks of mixed lipid bilayers, as determined by recent synchrotron x-ray measurements. Elastic deformations of the DNA and the lipid bilayers are neglected, but DNA-induced spatial inhomogeneities in the bilayer charge densities are included. The relevant nonlinear Poisson-Boltzmann equation is solved numerically, including self-consistent treatment of the boundary conditions at the polarized membrane surfaces. For a wide range of lipid compositions, the phase evolution is characterized by three regions of lipid to DNA charge ratio, rho: 1) for low rho, the complexes coexist with excess DNA, and the DNA-DNA spacing in the complex, d, is constant; 2) for intermediate rho, including the isoelectric point rho = 1, all of the lipid and DNA in solution is incorporated into the complex, whose inter-DNA distance d increases linearly with rho; and 3) for high rho, the complexes coexist with excess liposomes (whose lipid composition is different from that in the complex), and their spacing d is nearly, but not completely, independent of rho. These results can be understood in terms of a simple charging model that reflects the competition between counterion entropy and inter-DNA (rho < 1) and interbilayer (rho > 1) repulsions. Finally, our approach and conclusions are compared with theoretical work by others, and with relevant experiments. PMID:9649376

Study of the acceleration, focussing and bunching of ions by electronic space charge for pellet fusion. Technical progress report

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

Verdeyen, J.T.; Cherrington, B.E.

1977-01-01

Three areas of work during this contract period are discussed: (1) a low energy (1 to 10 keV) experiment to demonstrate focusing and to clarify the physics of bunching, (2) an experiment at high energy (100 to 500 keV) to scale prior results, and (3) a theoretical effort to formulate a self-consistent transient analysis of the virtual cathode--plasma interaction. Some results of this work are discussed. (MOW)

Accelerator Technology Division: Annual Report FY 1990

DTIC Science & Technology

1991-05-01

new version of PARMTEQ that includes 3-D space - charge and image- charge effects in the Figure 2.4. Preliminary concept for the SSC RFQ Linac 25...developing a better space - charge model based on the work of Sachercr. We have successfully demonstrated the ability to include off-axis effects in...a way fully consistent with the space - charge forces. Modifying BEDLAM to include these effects will leave almost all of the code (the integrator

Modelling the solar wind interaction with Mercury by a quasi-neutral hybrid model

NASA Astrophysics Data System (ADS)

Kallio, E.; Janhunen, P.

2003-11-01

Quasi-neutral hybrid model is a self-consistent modelling approach that includes positively charged particles and an electron fluid. The approach has received an increasing interest in space plasma physics research because it makes it possible to study several plasma physical processes that are difficult or impossible to model by self-consistent fluid models, such as the effects associated with the ions’ finite gyroradius, the velocity difference between different ion species, or the non-Maxwellian velocity distribution function. By now quasi-neutral hybrid models have been used to study the solar wind interaction with the non-magnetised Solar System bodies of Mars, Venus, Titan and comets. Localized, two-dimensional hybrid model runs have also been made to study terrestrial dayside magnetosheath. However, the Hermean plasma environment has not yet been analysed by a global quasi-neutral hybrid model.

Self-consistent Hartree-Fock RPA calculations in 208Pb

NASA Astrophysics Data System (ADS)

Taqi, Ali H.; Ali, Mohammed S.

2018-01-01

The nuclear structure of 208Pb is studied in the framework of the self-consistent random phase approximation (SCRPA). The Hartree-Fock mean field and single particle states are used to implement a completely SCRPA with Skyrme-type interactions. The Hamiltonian is diagonalised within a model space using five Skyrme parameter sets, namely LNS, SkI3, SkO, SkP and SLy4. In view of the huge number of the existing Skyrme-force parameterizations, the question remains which of them provide the best description of data. The approach attempts to accurately describe the structure of the spherical even-even nucleus 208Pb. To illustrate our approach, we compared the binding energy, charge density distribution, excitation energy levels scheme with the available experimental data. Moreover, we calculated isoscalar and isovector monopole, dipole, and quadrupole transition densities and strength functions.

On the Debye-Hückel effect of electric screening

NASA Astrophysics Data System (ADS)

Campos, L. M. B. C.; Lau, F. J. P.

2014-07-01

The paper considers non-linear self-consistent electric potential equation (Sec. I), due to a cloud made of a single species of electric charges, satisfying a Boltzmann distribution law (Sec. II). Exact solutions are obtained in a simple logarithmic form, in three cases: (Sec. III) spherical radial symmetry; (Sec. IV) plane parallel symmetry; (Sec. V) a special case of azimuthal-cylindrical symmetry. All these solutions, and their transformations (Sec. VI), involve the Debye-Hückel radius; the latter was originally defined from a solution of the linearized self-consistent potential equation. Using an exact solution of the self-consistent potential equation, the distance at which the potential vanishes differs from the Debye-Hückel radius by a factor of √2 . The preceding (Secs. II-VI) simple logarithmic exact solutions of the self-consistent potential equations involve no arbitrary constants, and thus are special or singular integrals not the general integral. The general solution of the self-consistent potential equation is obtained in the plane parallel case (Sec. VII), and it involves two arbitrary constants that can be reduced to one via a translation (Sec. VIII). The plots of dimensionless potential (Figure 1), electric field (Figure 2), charge density (Figure 3), and total charge between ζ and infinity (Figure 4), versus distance normalized to Debye-Hückel radius ζ ≡ z/a, show that (Sec. IX) there is a continuum of solutions, ranging from a charge distribution concentrated inside the Debye-Hückel radius to one spread-out beyond it. The latter case leads to the limiting case of logarithmic potential, and stronger electric field; the former case, of very concentrated charge distribution, leads to a fratricide effect and weaker electric field.

On the Debye–Hückel effect of electric screening

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

Campos, L. M. B. C.; Lau, F. J. P.

2014-07-15

The paper considers non-linear self-consistent electric potential equation (Sec. I), due to a cloud made of a single species of electric charges, satisfying a Boltzmann distribution law (Sec. II). Exact solutions are obtained in a simple logarithmic form, in three cases: (Sec. III) spherical radial symmetry; (Sec. IV) plane parallel symmetry; (Sec. V) a special case of azimuthal-cylindrical symmetry. All these solutions, and their transformations (Sec. VI), involve the Debye-Hückel radius; the latter was originally defined from a solution of the linearized self-consistent potential equation. Using an exact solution of the self-consistent potential equation, the distance at which the potentialmore » vanishes differs from the Debye-Hückel radius by a factor of √(2). The preceding (Secs. II–VI) simple logarithmic exact solutions of the self-consistent potential equations involve no arbitrary constants, and thus are special or singular integrals not the general integral. The general solution of the self-consistent potential equation is obtained in the plane parallel case (Sec. VII), and it involves two arbitrary constants that can be reduced to one via a translation (Sec. VIII). The plots of dimensionless potential (Figure 1), electric field (Figure 2), charge density (Figure 3), and total charge between ζ and infinity (Figure 4), versus distance normalized to Debye-Hückel radius ζ ≡ z/a, show that (Sec. IX) there is a continuum of solutions, ranging from a charge distribution concentrated inside the Debye-Hückel radius to one spread-out beyond it. The latter case leads to the limiting case of logarithmic potential, and stronger electric field; the former case, of very concentrated charge distribution, leads to a fratricide effect and weaker electric field.« less

WSN-Based Space Charge Density Measurement System

PubMed Central

Deng, Dawei; Yuan, Haiwen; Lv, Jianxun; Ju, Yong

2017-01-01

It is generally acknowledged that high voltage direct current (HVDC) transmission line endures the drawback of large area, because of which the utilization of cable for space charge density monitoring system is of inconvenience. Compared with the traditional communication network, wireless sensor network (WSN) shows advantages in small volume, high flexibility and strong self-organization, thereby presenting great potential in solving the problem. Additionally, WSN is more suitable for the construction of distributed space charge density monitoring system as it has longer distance and higher mobility. A distributed wireless system is designed for collecting and monitoring the space charge density under HVDC transmission lines, which has been widely applied in both Chinese state grid HVDC test base and power transmission projects. Experimental results of the measuring system demonstrated its adaptability in the complex electromagnetic environment under the transmission lines and the ability in realizing accurate, flexible, and stable demands for the measurement of space charge density. PMID:28052105

WSN-Based Space Charge Density Measurement System.

PubMed

Deng, Dawei; Yuan, Haiwen; Lv, Jianxun; Ju, Yong

2017-01-01

It is generally acknowledged that high voltage direct current (HVDC) transmission line endures the drawback of large area, because of which the utilization of cable for space charge density monitoring system is of inconvenience. Compared with the traditional communication network, wireless sensor network (WSN) shows advantages in small volume, high flexibility and strong self-organization, thereby presenting great potential in solving the problem. Additionally, WSN is more suitable for the construction of distributed space charge density monitoring system as it has longer distance and higher mobility. A distributed wireless system is designed for collecting and monitoring the space charge density under HVDC transmission lines, which has been widely applied in both Chinese state grid HVDC test base and power transmission projects. Experimental results of the measuring system demonstrated its adaptability in the complex electromagnetic environment under the transmission lines and the ability in realizing accurate, flexible, and stable demands for the measurement of space charge density.

Self-Consistent Theory of Shot Noise Suppression in Ballistic Conductors

NASA Astrophysics Data System (ADS)

Bulashenko, O. M.; Rubí, J. M.; Kochelap, V. A.

Shot-noise measurements become a fundamental tool to probe carrier interactions in mesoscopic systems [1]. A matter of particular interest is the significance of Coulomb interaction which may keep nearby electrons more regularly spaced rather than strictly at random and lead to the noise reduction. That effect occurs in different physical situations. Among them are charge-limited ballistic transport, resonant tunneling, single-electron tunneling, etc. In this communication we address the problem of Coulomb correlations in ballistic conductors under the space-charge-limited transport conditions, and present for the first time a semiclassical self-consistent theory of shot noise in these conductors by solving analytically the kinetic equation coupled self-consistently with a Poisson equation. Basing upon this theory, exact results for current noise in a two-terminal ballistic conductor under the action of long-range Coulomb correlations has been derived. The noise reduction factor (in respect to the uncorrelated value) is obtained in a closed analytical form for a full range of biases ranging from thermal to shot-noise limits which describe perfectly the results of the Monte Carlo simulations for a nondegenerate electron gas [2]. The magnitude of the noise reduction exceeds 0.01, which is of interest from the point of view of possible applications. Using these analytical results one may estimate a relative contribution to the noise from different groups of carriers (in energy space and/or real space) and to investigate in great detail the correlations between different groups of carriers. This leads us to suggest an electron energy spectroscopy experiment to probe the Coulomb correlations in ballistic conductors. Indeed, while the injected carriers are uncorrelated, those in the volume of the conductor are strongly correlated, as follows from the derived formulas for the fluctuation of the distribution function. Those correlations may be observed experimentally by making use of a combination of two already realized techniques: a hot-electron spectrometer [3,4] which allows one to analyze different energy groups of electrons collected at the contact and shot-noise measurements [5,6]. Such "shot noise reduction spectroscopy" allows one to measure the novel phenomena. In particular, we predict the (anti)correlation of the "tangent" electrons having the energy close to the potential barrier height, to all other electron energy groups collected at the receiving contact.

The Thomas-Fermi model in the theory of systems of charged particles above the surface of liquid dielectrics

NASA Astrophysics Data System (ADS)

Lytvtnenko, D. M.; Slyusarenko, Yu. V.; Kirdin, A. I.

2012-10-01

A consistent theory of equilibrium states of same sign charges above the surface of liquid dielectric film located on solid substrate in the presence of external attracting constant electric field is proposed. The approach to the development of the theory is based on the Thomas-Fermi model generalized to the systems under consideration and on the variational principle. The using of self-consistent field model allows formulating a theory containing no adjustable constants. In the framework of the variational principle we obtain the self-consistency equations for the parameters describing the system: the distribution function of charges above the liquid dielectric surface, the electrostatic field potentials in all regions of the system and the surface profile of the liquid dielectric. The self-consistency equations are used to describe the phase transition associated with the formation of spatially periodic structures in the system of charges on liquid dielectric surface. Assuming the non-degeneracy of the gas of charges above the surface of liquid dielectric film the solutions of the self-consistency equations near the critical point are obtained. In the case of the symmetric phase we obtain the expressions for the potentials and electric fields in all regions of the studied system. The distribution of the charges above the surface of liquid dielectric film for the symmetric phase is derived. The system parameters of the phase transition to nonsymmetric phase - the states with a spatially periodic ordering are obtained. We derive the expression determining the period of two-dimensional lattice as a function of physical parameters of the problem - the temperature, the external attractive electric field, the number of electrons per unit of the flat surface area of the liquid dielectric, the density of the dielectric, its surface tension and permittivity, and the permittivity of the solid substrate. The possibility of generalizing the developed theory in the case of degenerate gas of like-charged particles above the liquid dielectric surface is discussed.

DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB).

PubMed

Gaus, Michael; Cui, Qiang; Elstner, Marcus

2012-04-10

The self-consistent-charge density-functional tight-binding method (SCC-DFTB) is an approximate quantum chemical method derived from density functional theory (DFT) based on a second-order expansion of the DFT total energy around a reference density. In the present study we combine earlier extensions and improve them consistently with, first, an improved Coulomb interaction between atomic partial charges, and second, the complete third-order expansion of the DFT total energy. These modifications lead us to the next generation of the DFTB methodology called DFTB3, which substantially improves the description of charged systems containing elements C, H, N, O, and P, especially regarding hydrogen binding energies and proton affinities. As a result, DFTB3 is particularly applicable to biomolecular systems. Remaining challenges and possible solutions are also briefly discussed.

Influence of two-stream relativistic electron beam parameters on the space-charge wave with broad frequency spectrum formation

NASA Astrophysics Data System (ADS)

Alexander, LYSENKO; Iurii, VOLK

2018-03-01

We developed a cubic non-linear theory describing the dynamics of the multiharmonic space-charge wave (SCW), with harmonics frequencies smaller than the two-stream instability critical frequency, with different relativistic electron beam (REB) parameters. The self-consistent differential equation system for multiharmonic SCW harmonic amplitudes was elaborated in a cubic non-linear approximation. This system considers plural three-wave parametric resonant interactions between wave harmonics and the two-stream instability effect. Different REB parameters such as the input angle with respect to focusing magnetic field, the average relativistic factor value, difference of partial relativistic factors, and plasma frequency of partial beams were investigated regarding their influence on the frequency spectrum width and multiharmonic SCW saturation levels. We suggested ways in which the multiharmonic SCW frequency spectrum widths could be increased in order to use them in multiharmonic two-stream superheterodyne free-electron lasers, with the main purpose of forming a powerful multiharmonic electromagnetic wave.

The influence of pre-conditioning on space charge formation in LDPE

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

Fleming, R.J.; Henriksen, M.; Holboell, J.T.

1996-12-31

In this paper the authors present space charge accumulation data for planar low density polyethylene samples subjected to 20kV/mm dc fields at room temperature. The data were obtained using the laser-induced-pressure-pulse (LIPP) technique. Some of the samples were conditioned by holding them at 40 C in short-circuit at rotary pump pressure for 48hr prior to measurement. Such conditioning had no consistent effect on the space charge. The extent of charge injection/extraction at the semicon electrodes appeared to vary considerably between samples.

Nonlinear space charge dynamics in mixed ionic-electronic conductors: Resistive switching and ferroelectric-like hysteresis of electromechanical response

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

Morozovska, Anna N.; Morozovsky, Nicholas V.; Eliseev, Eugene A.

We performed self-consistent modelling of nonlinear electrotransport and electromechanical response of thin films of mixed ionic-electronic conductors (MIEC) allowing for steric effects of mobile charged defects (ions, protons, or vacancies), electron degeneration, and Vegard stresses. We establish correlations between the features of the nonlinear space-charge dynamics, current-voltage, and bending-voltage curves for different types of the film electrodes. A pronounced ferroelectric-like hysteresis of the bending-voltage loops and current maxima on the double hysteresis current-voltage loops appear for the electron-transport electrodes. The double hysteresis loop with pronounced humps indicates a memristor-type resistive switching. The switching occurs due to the strong nonlinear couplingmore » between the electronic and ionic subsystems. A sharp meta-stable maximum of the electron density appears near one open electrode and moves to another one during the periodic change of applied voltage. Our results can explain the nonlinear nature and correlation of electrical and mechanical memory effects in thin MIEC films. The analytical expression proving that the electrically induced bending of MIEC films can be detected by interferometric methods is derived.« less

Electron-beam-ion-source (EBIS) modeling progress at FAR-TECH, Inc

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

Kim, J. S., E-mail: kim@far-tech.com; Zhao, L., E-mail: kim@far-tech.com; Spencer, J. A., E-mail: kim@far-tech.com

FAR-TECH, Inc. has been developing a numerical modeling tool for Electron-Beam-Ion-Sources (EBISs). The tool consists of two codes. One is the Particle-Beam-Gun-Simulation (PBGUNS) code to simulate a steady state electron beam and the other is the EBIS-Particle-In-Cell (EBIS-PIC) code to simulate ion charge breeding with the electron beam. PBGUNS, a 2D (r,z) electron gun and ion source simulation code, has been extended for efficient modeling of EBISs and the work was presented previously. EBIS-PIC is a space charge self-consistent PIC code and is written to simulate charge breeding in an axisymmetric 2D (r,z) device allowing for full three-dimensional ion dynamics.more » This 2D code has been successfully benchmarked with Test-EBIS measurements at Brookhaven National Laboratory. For long timescale (< tens of ms) ion charge breeding, the 2D EBIS-PIC simulations take a long computational time making the simulation less practical. Most of the EBIS charge breeding, however, may be modeled in 1D (r) as the axial dependence of the ion dynamics may be ignored in the trap. Where 1D approximations are valid, simulations of charge breeding in an EBIS over long time scales become possible, using EBIS-PIC together with PBGUNS. Initial 1D results are presented. The significance of the magnetic field to ion dynamics, ion cooling effects due to collisions with neutral gas, and the role of Coulomb collisions are presented.« less

Self-consistent analysis of radiation and relativistic electron beam dynamics in a helical wiggler using Lienard-Wiechert fields

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

Tecimer, M.; Elias, L.R.

1995-12-31

Lienard-Wiechert (LW) fields, which are exact solutions of the Wave Equation for a point charge in free space, are employed to formulate a self-consistent treatment of the electron beam dynamics and the evolution of the generated radiation in long undulators. In a relativistic electron beam the internal forces leading to the interaction of the electrons with each other can be computed by means of retarded LW fields. The resulting electron beam dynamics enables us to obtain three dimensional radiation fields starting from an initial incoherent spontaneous emission, without introducing a seed wave at start-up. Based on the formalism employed here,more » both the evolution of the multi-bucket electron phase space dynamics in the beam body as well as edges and the relative slippage of the radiation with respect to the electrons in the considered short bunch are naturally embedded into the simulation model. In this paper, we present electromagnetic radiation studies, including multi-bucket electron phase dynamics and angular distribution of radiation in the time and frequency domain produced by a relativistic short electron beam bunch interacting with a circularly polarized magnetic undulator.« less

Initial experimental evidence of self-collimation of target-normal-sheath-accelerated proton beam in a stack of conducting foils

NASA Astrophysics Data System (ADS)

Ni, P. A.; Lund, S. M.; McGuffey, C.; Alexander, N.; Aurand, B.; Barnard, J. J.; Beg, F. N.; Bellei, C.; Bieniosek, F. M.; Brabetz, C.; Cohen, R. H.; Kim, J.; Neumayer, P.; Roth, M.; Logan, B. G.

2013-08-01

Phenomena consistent with self-collimation (or weak self-focusing) of laser target-normal-sheath-accelerated protons was experimentally observed for the first time, in a specially engineered structure ("lens") consisting of a stack of 300 thin aluminum foils separated by 50 μm vacuum gaps. The experiments were carried out in a "passive environment," i.e., no external fields applied, neutralization plasma or injection of secondary charged particles was imposed. Experiments were performed at the petawatt "PHELIX" laser user facility (E = 100 J, Δt = 400 fs, λ = 1062 nm) at the "Helmholtzzentrum für Schwerionenforschung-GSI" in Darmstadt, Germany. The observed rms beam spot reduction depends inversely on energy, with a focusing degree decreasing monotonically from 2 at 5.4 MeV to 1.5 at 18.7 MeV. The physics inside the lens is complex, resulting in a number of different mechanisms that can potentially affect the particle dynamics within the structure. We present a plausible simple interpretation of the experiment in which the combination of magnetic self-pinch forces generated by the beam current together with the simultaneous reduction of the repulsive electrostatic forces due to the foils are the dominant mechanisms responsible for the observed focusing/collimation. This focusing technique could be applied to a wide variety of space-charge dominated proton and heavy ion beams and impact fields and applications, such as HEDP science, inertial confinement fusion in both fast ignition and heavy ion fusion approaches, compact laser-driven injectors for a Linear Accelerator (LINAC) or synchrotron, medical therapy, materials processing, etc.

Initial experimental evidence of self-collimation of TNSA proton beam in a stack of conducting foils

NASA Astrophysics Data System (ADS)

Ni, Pavel

2013-10-01

Phenomena consistent with self-collimation (or weak self-focusing) of laser target-normal-sheath-accelerated (TNSA) protons was experimentally observed for the first time, in a specially engineered structure (``lens'') consisting of a stack of 300 thin aluminum foils separated by 50 μm vacuum gaps. The experiments were carried out in a ``passive environment,'' i.e. no external fields applied, neutralization plasma or injection of secondary charged particles was imposed. Experiments were performed at the petawatt ``PHELIX'' laser user facility (E = 100 J, Δt = 400 fs, λ = 1062 nm) at the ``Helmholtzzentrum für Schwerionenforschung-GSI'' in Darmstadt, Germany. The observed rms beam spot reduction depends inversely on energy, with a focusing degree decreasing monotonically from 2 at 5.4 MeV to 1.5 MeV at 18.7 MeV. The physics inside the lens is complex, resulting in a number of different mechanisms that can potentially affect the particle dynamics within the structure. We present a plausible simple interpretation of the experiment in which the combination of magnetic self-pinch forces generated by the beam current together with the simultaneous reduction of the repulsive electrostatic forces due to the foils are the dominant mechanisms responsible for the observed focusing/collimation. This focusing technique could be applied to a wide variety of space-charge dominated proton and heavy ion beams and impact fields and applications, such as HEDP science, inertial confinement fusion in both fast ignition and heavy ion fusion approaches, compact laser-driven injectors for a LINAC or synchrotron, medical therapy, materials processing, etc.

Ultraflat Au nanoplates as a new building block for molecular electronics.

PubMed

Jeong, Wooseok; Lee, Miyeon; Lee, Hyunsoo; Lee, Hyoban; Kim, Bongsoo; Park, Jeong Young

2016-05-27

We demonstrate the charge transport properties of a self-assembled organic monolayer on Au nanoplates with conductive probe atomic force microscopy (CP-AFM). Atomically flat Au nanoplates, a few hundred micrometers on each side, that have only (111) surfaces, were synthesized using the chemical vapor transport method; these nanoplates were employed as the substrates for hexadecanethiol (HDT) self-assembled monolayers (SAMs). Atomic-scale high-resolution images show (√3 x √3) R30° molecular periodicity, indicating a well-ordered structure of the HDT on the Au nanoplates. We observed reduced friction and adhesion forces on the HDT SAMs on Au nanoplates, compared with Si substrates, which is consistent with the lubricating nature of HDT SAMs. The electrical properties, such as I-V characteristics and current as a function of load, were measured using CP-AFM. We obtained a tunneling decay constant (β) of 0.57 Å(-1), including through-bond (βtb = 0.99 Å(-1)) and through-space (βts = 1.36 Å(-1)) decay constants for the two-pathway model. This indicates that the charge transport properties of HDT SAMs on Au nanoplates are consistent with those on a Au (111) film, suggesting that SAMs on nanoplates can provide a new building block for molecular electronics.

Charging and performance of the CubeSTAR satellite studied by numerical simulations

NASA Astrophysics Data System (ADS)

Miloch, Wojciech; Bekkeng, Tore André; Lindem, Torfinn

2012-07-01

A good understanding of spacecraft-plasma interaction is important for all space missions and experiments. The spacecraft potential is determined by the plasma, photoemission and other currents [1]. A charged object can significantly disturb the surrounding plasma, and lead to wake formation. The wake features, such as ion focusing, can influence the measurements of the plasma by the instruments onboard. A study of this problem using analytical models is difficult and can not account for all phenomena. This has encouraged use of numerical models for self-consistent studies of the plasma-object interactions on a detailed kinetic level [2][3]. With three-dimensional particle-in-cell (PIC) simulations [3][4], we address the spacecraft-plasma interaction in various plasma environments, and account for the self-consistent charging of the spacecraft by plasma and photoemission currents. As a specific case, we consider the interactions between plasma and a CubeSTAR satellite. CubeSTAR is a nano-satellite for the space weather studies being constructed in Norway, with the launch scheduled for year 2013. With a novel Langmuir probe system [5], it will measure the absolute electron densities with a high spatial resolution, allowing for studies of small scale plasma irregularities. We perform a systematic study of the role of the wakefield on the measurements with the Langmuir probes onboard the CubeSTAR for the plasma conditions relevant for the planned polar orbit. The simulation results are of relevance also for other spacecraft missions. [1] Whipple E C, Rep. Prog. Phys. 44, 1197 (1981). [2] Roussel J F and Berthelier J J, J. Geophys. Res. 109, A01104 (2004). [3] Yaroshenko V V et al., J. Geophys. Res. 116, A12218 (2011). [4] Miloch W J Kroll M and Block D 2010 Phys. Plasmas 17, 103703 (2010). [5] Bekkeng T A et al. Meas. Sci. Technol. 21, 085903 (2010).

Shielded transient self-interaction of a bunch entering a circle from a straight path

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

Li, R.; Bohn, C.L.; Bisognano, J.J.

1997-08-01

Recent developments in electron-gun and injector technologies enable production of short (mm-length), high-charge (nC-regime) bunches. In this parameter regime, the curvature effect on the bunch self-interaction, by way of coherent synchrotron radiation (CSR) and space-charge forces as the beam traverses magnet bends, may cause serious emittance degradation. In this paper, the authors study an electron bunch orbiting between two infinite, parallel conducting plates. The bunch moves on a trajectory from a straight path to a circular orbit and begins radiating. Transient effects, arising from CSR and space-charge forces generated from source particles both on the bend and on the straightmore » path prior to the bend, are analyzed using Lienard-Wiechert fields, and their overall net effect is obtained. The influence of the plates on the transients is contrasted to their shielding of the steady-state radiated power. Results for emittance degradation induced by this self-interaction are also presented.« less

Charged polymers in high dimensions

NASA Technical Reports Server (NTRS)

Kantor, Yacov

1990-01-01

A Monte Carlo study of charged polymers with either homogeneously distributed frozen charges or with mobile charges has been performed in four and five space dimensions. The results are consistent with the renormalization-group predictions and contradict the predictions of Flory-type theory. Introduction of charge mobility does not modify the behavior of the polymers.

An investigation of the generation and properties of laboratory-produced ball lightning

NASA Astrophysics Data System (ADS)

Oreshko, A. G.

2015-06-01

The experiments revealed that ball lightning is a self-confining quasi-neutral in a whole plasma system that rotates around its axis. Ball lightning has a structure of a spherical electric domain, consisting of a kernel with excess negative charge and an external spherical layer with excess positive charge. The excess of charges of one sort and the lack of charges of the other sort in the kernel or in the external spherical layer significantly reduces the possibility of electron capture by means of an electric field, created by the nearest ions and leads to a drastic slowdown of recombination process. Direct proof has been obtained that inside of ball lightning - in an external spherical layer that rotates around the axis - there is a circular current of sub-relativistic particles. This current creates and maintains its own poloidal magnetic field of ball lightning, i.e. it carries out the function of magnetic dynamo. The kernel of ball lightning is situated in a region with minimum values of induction of the magnetic field. The inequality of positive and negative charges in elements of ball lightning also significantly reduces losses of the charged plasma on bremsstrahlung. Ball lightning generation occurs in a plasmic vortex. The ball lightning energy in the region of its generation significantly differs from the ball lightning energy, which is drifting in space. The axial component of kinetic energy of particles slightly exceeds 100 keV and the rotational component of the ions energy is a bit greater than 1 MeV. Ball lightning is `embedded' in atmosphere autonomous accelerator of charged particles of a cyclotron type due to self-generation of strong crossed electric and magnetic fields. A discussion of the conditions of stability and long-term existence of ball lightning is given.

Electronic properties of disordered Weyl semimetals at charge neutrality

NASA Astrophysics Data System (ADS)

Holder, Tobias; Huang, Chia-Wei; Ostrovsky, Pavel M.

2017-11-01

Weyl semimetals have been intensely studied as a three-dimensional realization of a Dirac-like excitation spectrum where the conduction bands and valence bands touch at isolated Weyl points in momentum space. Like in graphene, this property entails various peculiar electronic properties. However, recent theoretical studies have suggested that resonant scattering from rare regions can give rise to a nonzero density of states even at charge neutrality. Here, we give a detailed account of this effect and demonstrate how the semimetallic nature is suppressed at the lowest scales. To this end, we develop a self-consistent T -matrix approach to investigate the density of states beyond the limit of weak disorder. Our results show a nonvanishing density of states at the Weyl point, which exhibits a nonanalytic dependence on the impurity density. This unusually strong effect of rare regions leads to a revised estimate for the conductivity close to the Weyl point and emphasizes possible deviations from semimetallic behavior in dirty Weyl semimetals at charge neutrality even with very low impurity concentration.

Self-consistent geodesic equation and quantum tunneling from charged AdS black holes

NASA Astrophysics Data System (ADS)

Deng, Gao-Ming

2017-12-01

Some urgent shortcomings in previous derivations of geodesic equations are remedied in this paper. In contrast to the unnatural and awkward treatment in previous works, here we derive the geodesic equations of massive and massless particles in a unified and self- consistent manner. Furthermore, we extend to investigate the Hawking radiation via tunneling from charged black holes in the context of AdS spacetime. Of special interest, the application of the first law of black hole thermodynamics in tunneling integration manifestly simplifies the calculation.

Scaling relations for a needle-like electron beam plasma from the self-similar behavior in beam propagation

NASA Astrophysics Data System (ADS)

Bai, Xiaoyan; Chen, Chen; Li, Hong; Liu, Wandong; Chen, Wei

2017-10-01

Scaling relations of the main parameters of a needle-like electron beam plasma (EBP) to the initial beam energy, beam current, and discharge pressures are presented. The relations characterize the main features of the plasma in three parameter space and can provide great convenience in plasma design with electron beams. First, starting from the self-similar behavior of electron beam propagation, energy and charge depositions in beam propagation were expressed analytically as functions of the three parameters. Second, according to the complete coupled theoretical model of an EBP and appropriate assumptions, independent equations controlling the density and space charges were derived. Analytical expressions for the density and charges versus functions of energy and charge depositions were obtained. Finally, with the combination of the expressions derived in the above two steps, scaling relations of the density and potential to the three parameters were constructed. Meanwhile, numerical simulations were used to test part of the scaling relations.

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

Monolithically Integrated Self-Charging Power Pack Consisting of a Silicon Nanowire Array/Conductive Polymer Hybrid Solar Cell and a Laser-Scribed Graphene Supercapacitor.

PubMed

Liu, Hanhui; Li, Mengping; Kaner, Richard B; Chen, Songyan; Pei, Qibing

2018-05-09

Owing to the need for portable and sustainable energy sources and the development trend for microminiaturization and multifunctionalization in the electronic components, the study of integrated self-charging power packs has attracted increasing attention. A new self-charging power pack consisting of a silicon nanowire array/poly(3,4-ethylenedioxythiophene):polystyrenesulfonate (PEDOT:PSS) hybrid solar cell and a laser-scribed graphene (LSG) supercapacitor has been fabricated. The Si nanowire array/PEDOT:PSS hybrid solar cell structure exhibited a high power conversion efficiency (PCE) of 12.37%. The LSG demonstrated excellent energy storage capability for the power pack, with high current density, energy density, and cyclic stability when compared to other supercapacitor electrodes such as active carbon and conducting polymers. The overall efficiency of the power unit is 2.92%.

Laboratory observation of multiple double layer resembling space plasma double layer

NASA Astrophysics Data System (ADS)

Alex, Prince; Arumugam, Saravanan; Sinha, Suraj

2017-10-01

Perceptible double layer consisting of more than one layers were produced in laboratory using a double discharge plasma setup. The confinement of oppositely charged particles in each layer with sharply defined luminous boarder is attributed to the self-organization scenario. This structure is generated in front of a positively biased electrode when the electron drift velocity (νd) exceeds 1.3 times the electron thermal velocity (νte) . Stable multiple double layer structures were observed only between 1.3 νte <=νd <= 3 νte. At νd = 1.3 νte, oscillations were excited in the form of large amplitude burst followed by a high frequency stable oscillation. Beyond νd = 3 νte, multiple double layer begins to collapse which is characterized by an emergence in turbulence. Long range dependence in the corresponding electrostatic potential fluctuations indicates the role of self-organized criticality in the emergence of turbulence. The algebraic decaying tale of the autocorrelation function and power law behavior in the power spectrum are consistent with the observation.

Finite-size effects of hysteretic dynamics in multilayer graphene on a ferroelectric

DOE PAGES

Morozovska, Anna N.; Pusenkova, Anastasiia S.; Varenyk, Oleksandr V.; ...

2015-06-11

The origin and influence of finite-size effects on the nonlinear dynamics of space charge stored by multilayer graphene on a ferroelectric and resistivity of graphene channel were analyzed. In this paper, we develop a self-consistent approach combining the solution of electrostatic problems with the nonlinear Landau-Khalatnikov equations for a ferroelectric. The size-dependent behaviors are governed by the relations between the thicknesses of multilayer graphene, ferroelectric film, and the dielectric layer. The appearance of charge and electroresistance hysteresis loops and their versatility stem from the interplay of polarization reversal dynamics and its incomplete screening in an alternating electric field. These featuresmore » are mostly determined by the dielectric layer thickness. The derived analytical expressions for electric fields and space-charge-density distribution in a multilayer system enable knowledge-driven design of graphene-on-ferroelectric heterostructures with advanced performance. We further investigate the effects of spatially nonuniform ferroelectric domain structures on the graphene layers’ conductivity and predict its dramatic increase under the transition from multi- to single-domain state in a ferroelectric. Finally, this intriguing effect can open possibilities for the graphene-based sensors and explore the underlying physical mechanisms in the operation of graphene field-effect transistor with ferroelectric gating.« less

Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a modified effective coulomb interaction.

PubMed

Yang, Yang; Yu, Haibo; York, Darrin; Cui, Qiang; Elstner, Marcus

2007-10-25

The standard self-consistent-charge density-functional-tight-binding (SCC-DFTB) method (Phys. Rev. B 1998, 58, 7260) is derived by a second-order expansion of the density functional theory total energy expression, followed by an approximation of the charge density fluctuations by charge monopoles and an effective damped Coulomb interaction between the atomic net charges. The central assumptions behind this effective charge-charge interaction are the inverse relation of atomic size and chemical hardness and the use of a fixed chemical hardness parameter independent of the atomic charge state. While these approximations seem to be unproblematic for many covalently bound systems, they are quantitatively insufficient for hydrogen-bonding interactions and (anionic) molecules with localized net charges. Here, we present an extension of the SCC-DFTB method to incorporate third-order terms in the charge density fluctuations, leading to chemical hardness parameters that are dependent on the atomic charge state and a modification of the Coulomb scaling to improve the electrostatic treatment within the second-order terms. These modifications lead to a significant improvement in the description of hydrogen-bonding interactions and proton affinities of biologically relevant molecules.

Calibration and Readiness of the ISS-RAD Charged Particle Detector

NASA Technical Reports Server (NTRS)

Rios, R.

2015-01-01

The International Space Station (ISS) Radiation Assessment Detector (RAD) is an intravehicular energetic particle detector designed to measure a broad spectrum of charged particle and neutron radiation unique to the ISS radiation environment. In this presentation, a summary of calibration and readiness of the RAD Sensor Head (RSH) - also referred to as the Charged Particle Detector (CPD) - for ISS will be presented. Calibration for the RSH consists of p, He, C, O, Si, and Fe ion data collected at the NASA Space Radiation Laboratory (NSRL) and Indiana University Cyclotron Facility (IUCF). The RSH consists of four detectors used in measuring the spectroscopy of charged particles - A, B, C, and D; high-energy neutral particles and charged particles are measured in E; and the last detector - F - is an anti-coincidence detector. A, B, and C are made from Si; D is made from BGO; E and F are made from EJ260XL plastic scintillator.

Molecular Effects on Coacervate-Driven Block Copolymer Self Assembly

NASA Astrophysics Data System (ADS)

Lytle, Tyer; Radhakrishna, Mithun; Sing, Charles

Two oppositely charged polymers can undergo associative phase separation in a salt solution in a process known as \\x98complex coacervation. Recent work has used this as a motif to control the self-assembly behavior of a mixture of oppositely-charged block copolymers which form nanoscale structures. The materials formed from these complex coacervate-block copolymers (BCPs) have potential use as drug delivery systems, gels, and sensors. We have developed a hybrid Monte Carlo-Single Chain in a Mean Field (MC-SCMF) simulation method that is able to determine morphological phase diagrams for BCPs. This technique is an efficient way to calculate morphological phase diagrams and provides a clear link between molecular level features and self-assembly behaviors. Morphological phase diagrams showing the effects of polymer concentration, salt concentration, chain length, and charge-block fraction at large charge densities on self-assembly behavior have been determined. An unexpected phase transition from disorder to hexagonal packing at large salt concentrations has been observed for charge-block fractions equal to and larger than 0.5. This is attributed to the salt filling space stabilizing the morphology of the BCP.

Simulation of Space Charge Dynamic in Polyethylene Under DC Continuous Electrical Stress

NASA Astrophysics Data System (ADS)

Boukhari, Hamed; Rogti, Fatiha

2016-10-01

The space charge dynamic plays a very important role in the aging and breakdown of polymeric insulation materials under high voltage. This is due to the intensification of the local electric field and the attendant chemical-mechanical effects in the vicinity around the trapped charge. In this paper, we have investigated the space charge dynamic in low-density polyethylene under high direct-current voltage, which is evaluated by experimental conditions. The evaluation is on the basis of simulation using a bipolar charge transport model consisting of charge injection, transports, trapping, detrapping, and recombination phenomena. The theoretical formulation of the physical problem is based on the Poisson, the continuity, and the transport equations. Numerical results provide temporal and local distributions of the electric field, the space charge density for the different kinds of charges (net charge density, mobile and trapped of electron density, mobile hole density), conduction and displacement current densities, and the external current. The result shows the appearance of the negative packet-like space charge with a large amount of the bulk under the dc electric field of 100 kV/mm, and the induced distortion of the electric field is largely near to the anode, about 39% higher than the initial electric field applied.

Lévy-Student distributions for halos in accelerator beams.

PubMed

Cufaro Petroni, Nicola; De Martino, Salvatore; De Siena, Silvio; Illuminati, Fabrizio

2005-12-01

We describe the transverse beam distribution in particle accelerators within the controlled, stochastic dynamical scheme of stochastic mechanics (SM) which produces time reversal invariant diffusion processes. This leads to a linearized theory summarized in a Schrödinger-like (SL) equation. The space charge effects have been introduced in recent papers by coupling this S-L equation with the Maxwell equations. We analyze the space-charge effects to understand how the dynamics produces the actual beam distributions, and in particular we show how the stationary, self-consistent solutions are related to the (external and space-charge) potentials both when we suppose that the external field is harmonic (constant focusing), and when we a priori prescribe the shape of the stationary solution. We then proceed to discuss a few other ideas by introducing generalized Student distributions, namely, non-Gaussian, Lévy infinitely divisible (but not stable) distributions. We will discuss this idea from two different standpoints: (a) first by supposing that the stationary distribution of our (Wiener powered) SM model is a Student distribution; (b) by supposing that our model is based on a (non-Gaussian) Lévy process whose increments are Student distributed. We show that in the case (a) the longer tails of the power decay of the Student laws and in the case (b) the discontinuities of the Lévy-Student process can well account for the rare escape of particles from the beam core, and hence for the formation of a halo in intense beams.

Levy-Student distributions for halos in accelerator beams

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

Cufaro Petroni, Nicola; De Martino, Salvatore; De Siena, Silvio

2005-12-15

We describe the transverse beam distribution in particle accelerators within the controlled, stochastic dynamical scheme of stochastic mechanics (SM) which produces time reversal invariant diffusion processes. This leads to a linearized theory summarized in a Schroedinger-like (SL) equation. The space charge effects have been introduced in recent papers by coupling this S-L equation with the Maxwell equations. We analyze the space-charge effects to understand how the dynamics produces the actual beam distributions, and in particular we show how the stationary, self-consistent solutions are related to the (external and space-charge) potentials both when we suppose that the external field is harmonicmore » (constant focusing), and when we a priori prescribe the shape of the stationary solution. We then proceed to discuss a few other ideas by introducing generalized Student distributions, namely, non-Gaussian, Levy infinitely divisible (but not stable) distributions. We will discuss this idea from two different standpoints: (a) first by supposing that the stationary distribution of our (Wiener powered) SM model is a Student distribution; (b) by supposing that our model is based on a (non-Gaussian) Levy process whose increments are Student distributed. We show that in the case (a) the longer tails of the power decay of the Student laws and in the case (b) the discontinuities of the Levy-Student process can well account for the rare escape of particles from the beam core, and hence for the formation of a halo in intense beams.« less

Self-Consistent Determination of Atomic Charges of Ionic Liquid through a Combination of Molecular Dynamics Simulation and Density Functional Theory.

PubMed

Ishizuka, Ryosuke; Matubayasi, Nobuyuki

2016-02-09

A self-consistent scheme is developed to determine the atomic partial charges of ionic liquid. Molecular dynamics (MD) simulation was conducted to sample a set of ion configurations, and these configurations were subject to density functional theory (DFT) calculations to determine the partial charges. The charges were then averaged and used as inputs for the subsequent MD simulation, and MD and DFT calculations were repeated until the MD results are not altered any more. We applied this scheme to 1,3-dimethylimidazolium bis(trifluoromethylsulfonyl) imide ([C1mim][NTf2]) and investigated its structure and dynamics as a function of temperature. At convergence, the average ionic charges were ±0.84 e at 350 K due to charge transfer among ions, where e is the elementary charge, while the reduced ionic charges do not affect strongly the density of [C1mim][NTf2] and radial distribution function. Instead, major effects are found on the energetics and dynamics, with improvements of the overestimated heat of vaporization and the too slow motions of ions observed in MD simulations using commonly used force fields.

Multi-charge-state molecular dynamics and self-diffusion coefficient in the warm dense matter regime

NASA Astrophysics Data System (ADS)

Fu, Yongsheng; Hou, Yong; Kang, Dongdong; Gao, Cheng; Jin, Fengtao; Yuan, Jianmin

2018-01-01

We present a multi-ion molecular dynamics (MIMD) simulation and apply it to calculating the self-diffusion coefficients of ions with different charge-states in the warm dense matter (WDM) regime. First, the method is used for the self-consistent calculation of electron structures of different charge-state ions in the ion sphere, with the ion-sphere radii being determined by the plasma density and the ion charges. The ionic fraction is then obtained by solving the Saha equation, taking account of interactions among different charge-state ions in the system, and ion-ion pair potentials are computed using the modified Gordon-Kim method in the framework of temperature-dependent density functional theory on the basis of the electron structures. Finally, MIMD is used to calculate ionic self-diffusion coefficients from the velocity correlation function according to the Green-Kubo relation. A comparison with the results of the average-atom model shows that different statistical processes will influence the ionic diffusion coefficient in the WDM regime.

All-in-One Shape-Adaptive Self-Charging Power Package for Wearable Electronics.

PubMed

Guo, Hengyu; Yeh, Min-Hsin; Lai, Ying-Chih; Zi, Yunlong; Wu, Changsheng; Wen, Zhen; Hu, Chenguo; Wang, Zhong Lin

2016-11-22

Recently, a self-charging power unit consisting of an energy harvesting device and an energy storage device set the foundation for building a self-powered wearable system. However, the flexibility of the power unit working under extremely complex deformations (e.g., stretching, twisting, and bending) becomes a key issue. Here, we present a prototype of an all-in-one shape-adaptive self-charging power unit that can be used for scavenging random body motion energy under complex mechanical deformations and then directly storing it in a supercapacitor unit to build up a self-powered system for wearable electronics. A kirigami paper based supercapacitor (KP-SC) was designed to work as the flexible energy storage device (stretchability up to 215%). An ultrastretchable and shape-adaptive silicone rubber triboelectric nanogenerator (SR-TENG) was utilized as the flexible energy harvesting device. By combining them with a rectifier, a stretchable, twistable, and bendable, self-charging power package was achieved for sustainably driving wearable electronics. This work provides a potential platform for the flexible self-powered systems.

Self-energy and self-force in the space-time of a thick cosmic string

NASA Astrophysics Data System (ADS)

Khusnutdinov, N. R.; Bezerra, V. B.

2001-10-01

We calculate the self-energy and self-force for an electrically charged particle at rest in the background of Gott-Hiscock cosmic string space-time. We find the general expression for the self-energy which is expressed in terms of the S matrix of the scattering problem. The self-energy continuously falls down outward from the string's center with the maximum at the origin of the string. The self-force is repulsive for an arbitrary position of the particle. It tends to zero in the string's center and also far from the string and it has a maximum value at the string's surface. The plots of the numerical calculations of the self-energy and self-force are shown.

A 2D electrostatic PIC code for the Mark III Hypercube

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

Ferraro, R.D.; Liewer, P.C.; Decyk, V.K.

We have implemented a 2D electrostastic plasma particle in cell (PIC) simulation code on the Caltech/JPL Mark IIIfp Hypercube. The code simulates plasma effects by evolving in time the trajectories of thousands to millions of charged particles subject to their self-consistent fields. Each particle`s position and velocity is advanced in time using a leap frog method for integrating Newton`s equations of motion in electric and magnetic fields. The electric field due to these moving charged particles is calculated on a spatial grid at each time by solving Poisson`s equation in Fourier space. These two tasks represent the largest part ofmore » the computation. To obtain efficient operation on a distributed memory parallel computer, we are using the General Concurrent PIC (GCPIC) algorithm previously developed for a 1D parallel PIC code.« less

Tuning the electronic properties of gated multilayer phosphorene: A self-consistent tight-binding study

NASA Astrophysics Data System (ADS)

Li, L. L.; Partoens, B.; Peeters, F. M.

2018-04-01

By taking account of the electric-field-induced charge screening, a self-consistent calculation within the framework of the tight-binding approach is employed to obtain the electronic band structure of gated multilayer phosphorene and the charge densities on the different phosphorene layers. We find charge density and screening anomalies in single-gated multilayer phosphorene and electron-hole bilayers in dual-gated multilayer phosphorene. Due to the unique puckered lattice structure, both intralayer and interlayer charge screenings are important in gated multilayer phosphorene. We find that the electric-field tuning of the band structure of multilayer phosphorene is distinctively different in the presence and absence of charge screening. For instance, it is shown that the unscreened band gap of multilayer phosphorene decreases dramatically with increasing electric-field strength. However, in the presence of charge screening, the magnitude of this band-gap decrease is significantly reduced and the reduction depends strongly on the number of phosphorene layers. Our theoretical results of the band-gap tuning are compared with recent experiments and good agreement is found.

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.

Shape coexistence and β decay of 70Br within a beyond-mean-field approach

NASA Astrophysics Data System (ADS)

Petrovici, A.

2018-02-01

β -decay properties of the odd-odd N =Z 70Br nucleus are self-consistently explored within the beyond-mean-field complex excited vampir variational model using an effective interaction obtained from a nuclear matter G -matrix based on the charge-dependent Bonn CD potential and an adequate model space. Results on superallowed Fermi β decay of the ground state and Gamow-Teller decay of the 9+ isomer in 70Br correlated with the shape coexistence and mixing effects on the structure and electromagnetic properties of the populated states in the daughter nucleus 70Se are presented and compared with available data.

The Design of a 100 GHz CARM (Cyclotron Auto-Resonance Maser) Oscillator Experiment

DTIC Science & Technology

1988-09-14

pulsed-power system must be considered. A model of the voltage pulse that consists of a linear voltage rise from zero to the operating voltage...to vary as the voltage to the 3/2 power in order to model space-charge limited flow from a relativistic diode.. As the current rises in the pulse, the...distribution due to a space-charge-limited, laminar flow of electrons based on a one-dimensional, planar, relativistic model . From the charge distribution

Operational advances in ring current modeling using RAM-SCB

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

Welling, Daniel T; Jordanova, Vania K; Zaharia, Sorin G

The Ring current Atmosphere interaction Model with Self-Consistently calculated 3D Magnetic field (RAM-SCB) combines a kinetic model of the ring current with a force-balanced model of the magnetospheric magnetic field to create an inner magnetospheric model that is magnetically self consistent. RAM-SCB produces a wealth of outputs that are valuable to space weather applications. For example, the anisotropic particle distribution of the KeV-energy population calculated by the code is key for predicting surface charging on spacecraft. Furthermore, radiation belt codes stand to benefit substantially from RAM-SCB calculated magnetic field values and plasma wave growth rates - both important for determiningmore » the evolution of relativistic electron populations. RAM-SCB is undergoing development to bring these benefits to the space weather community. Data-model validation efforts are underway to assess the performance of the system. 'Virtual Satellite' capability has been added to yield satellite-specific particle distribution and magnetic field output. The code's outer boundary is being expanded to 10 Earth Radii to encompass previously neglected geosynchronous orbits and allow the code to be driven completely by either empirical or first-principles based inputs. These advances are culminating towards a new, real-time version of the code, rtRAM-SCB, that can monitor the inner magnetosphere conditions on both a global and spacecraft-specific level. This paper summarizes these new features as well as the benefits they provide the space weather community.« less

Operational Advances in Ring Current Modeling Using RAM-SCB

NASA Astrophysics Data System (ADS)

Morley, S.; Welling, D. T.; Zaharia, S. G.; Jordanova, V. K.

2010-12-01

The Ring current Atmosphere interaction Model with Self-Consistently calculated 3D Magnetic field (RAM-SCB) combines a kinetic model of the ring current with a force-balanced model of the magnetospheric magnetic field to create an inner magnetospheric model that is magnetically self consistent. RAM-SCB produces a wealth of outputs that are valuable to space weather applications. For example, the anisotropic particle distribution of the KeV-energy population calculated by the code is key for predicting surface charging on spacecraft. Furthermore, radiation belt codes stand to benefit substantially from RAM-SCB calculated magnetic field values and plasma wave growth rates - both important for determining the evolution of relativistic electron populations. RAM-SCB is undergoing development to bring these benefits to the space weather community. Data-model validation efforts are underway to assess the performance of the system. “Virtual Satellite” capability has been added to yield satellite-specific particle distribution and magnetic field output. The code’s outer boundary is being expanded to 10 Earth Radii to encompass previously neglected geosynchronous orbits and allow the code to be driven completely by either empirical or first-principles based inputs. These advances are culminating towards a new, real-time version of the code, rtRAM-SCB, that can monitor the inner magnetosphere conditions on both a global and spacecraft-specific level. This paper summarizes these new features as well as the benefits they provide the space weather community.

Self-dual Skyrmions on the spheres S2 N +1

NASA Astrophysics Data System (ADS)

Amari, Y.; Ferreira, L. A.

2018-04-01

We construct self-dual sectors for scalar field theories on a (2 N +2 )-dimensional Minkowski space-time with the target space being the 2 N +1 -dimensional sphere S2 N +1. The construction of such self-dual sectors is made possible by the introduction of an extra functional in the action that renders the static energy and the self-duality equations conformally invariant on the (2 N +1 )-dimensional spatial submanifold. The conformal and target-space symmetries are used to build an ansatz that leads to an infinite number of exact self-dual solutions with arbitrary values of the topological charge. The five-dimensional case is discussed in detail, where it is shown that two types of theories admit self-dual sectors. Our work generalizes the known results in the three-dimensional case that lead to an infinite set of self-dual Skyrmion solutions.

Self-consistent adjoint analysis for topology optimization of electromagnetic waves

NASA Astrophysics Data System (ADS)

Deng, Yongbo; Korvink, Jan G.

2018-05-01

In topology optimization of electromagnetic waves, the Gâteaux differentiability of the conjugate operator to the complex field variable results in the complexity of the adjoint sensitivity, which evolves the original real-valued design variable to be complex during the iterative solution procedure. Therefore, the self-inconsistency of the adjoint sensitivity is presented. To enforce the self-consistency, the real part operator has been used to extract the real part of the sensitivity to keep the real-value property of the design variable. However, this enforced self-consistency can cause the problem that the derived structural topology has unreasonable dependence on the phase of the incident wave. To solve this problem, this article focuses on the self-consistent adjoint analysis of the topology optimization problems for electromagnetic waves. This self-consistent adjoint analysis is implemented by splitting the complex variables of the wave equations into the corresponding real parts and imaginary parts, sequentially substituting the split complex variables into the wave equations with deriving the coupled equations equivalent to the original wave equations, where the infinite free space is truncated by the perfectly matched layers. Then, the topology optimization problems of electromagnetic waves are transformed into the forms defined on real functional spaces instead of complex functional spaces; the adjoint analysis of the topology optimization problems is implemented on real functional spaces with removing the variational of the conjugate operator; the self-consistent adjoint sensitivity is derived, and the phase-dependence problem is avoided for the derived structural topology. Several numerical examples are implemented to demonstrate the robustness of the derived self-consistent adjoint analysis.

Plasma Flowfields Around Low Earth Orbit Objects: Aerodynamics to Underpin Orbit Predictions

NASA Astrophysics Data System (ADS)

Capon, Christopher; Boyce, Russell; Brown, Melrose

2016-07-01

Interactions between orbiting bodies and the charged space environment are complex. The large variation in passive body parameters e.g. size, geometry and materials, makes the plasma-body interaction in Low Earth Orbit (LEO) a region rich in fundamental physical phenomena. The aerodynamic interaction of LEO orbiting bodies with the neutral environment constitutes the largest non-conservative force on the body. However in general, study of the LEO plasma-body interaction has not been concerned with external flow physics, but rather with the effects on surface charging. The impact of ionospheric flow physics on the forces on space debris (and active objects) is not well understood. The work presented here investigates the contribution that plasma-body interactions have on the flow structure and hence on the total atmospheric force vector experienced by a polar orbiting LEO body. This work applies a hybrid Particle-in-Cell (PIC) - Direct Simulation Monte Carlo (DSMC) code, pdFoam, to self-consistently model the electrostatic flowfield about a cylinder with a uniform, fixed surface potential. Flow conditions are representative of the mean conditions experienced by the Earth Observing Satellite (EOS) based on the International Reference Ionosphere model (IRI-86). The electron distribution function is represented by a non-linear Boltzmann electron fluid and ion gas-surface interactions are assumed to be that of a neutralising, conducting, thermally accommodating solid wall with diffuse reflections. The variation in flowfield and aerodynamic properties with surface potential at a fixed flow condition is investigated, and insight into the relative contributions of charged and neutral species to the flow physics experienced by a LEO orbiting body is provided. This in turn is intended to help improve the fidelity of physics-based orbit predictions for space debris and other near-Earth space objects.

Spectroscopic studies of non-thermal plasma jet at atmospheric pressure formed in low-current nonsteady-state plasmatron for biomedical applications

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

Demkin, V. P.; Melnichuk, S. V.; Demkin, O. V.

The optical and electrophysical characteristics of the nonequilibrium low-temperature plasma formed by a low-current nonsteady-state plasmatron are experimentally investigated in the present work. It is demonstrated that experimental data on the optical diagnostics of the plasma jet can provide a basis for the construction of a self-consistent physical and mathematical plasma model and for the creation of plasma sources with controllable electrophysical parameters intended for the generation of the required concentration of active particles. Results of spectroscopic diagnostics of plasma of the low-current nonsteady-state plasmatron confirm that the given source is efficient for the generation of charged particles and short-wavelengthmore » radiation—important plasma components for biomedical problems of an increase in the efficiency of treatment of biological tissues by charged particles. Measurement of the spatial distribution of the plasma jet potential by the probe method has demonstrated that a negative space charge is formed in the plasma jet possibly due to the formation of electronegative oxygen ions.« less

Towards an automated and efficient calculation of resonating vibrational states based on state-averaged multiconfigurational approaches

NASA Astrophysics Data System (ADS)

Meier, Patrick; Oschetzki, Dominik; Pfeiffer, Florian; Rauhut, Guntram

2015-12-01

Resonating vibrational states cannot consistently be described by single-reference vibrational self-consistent field methods but request the use of multiconfigurational approaches. Strategies are presented to accelerate vibrational multiconfiguration self-consistent field theory and subsequent multireference configuration interaction calculations in order to allow for routine calculations at this enhanced level of theory. State-averaged vibrational complete active space self-consistent field calculations using mode-specific and state-tailored active spaces were found to be very fast and superior to state-specific calculations or calculations with a uniform active space. Benchmark calculations are presented for trans-diazene and bromoform, which show strong resonances in their vibrational spectra.

Towards an automated and efficient calculation of resonating vibrational states based on state-averaged multiconfigurational approaches

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

Meier, Patrick; Oschetzki, Dominik; Pfeiffer, Florian

Resonating vibrational states cannot consistently be described by single-reference vibrational self-consistent field methods but request the use of multiconfigurational approaches. Strategies are presented to accelerate vibrational multiconfiguration self-consistent field theory and subsequent multireference configuration interaction calculations in order to allow for routine calculations at this enhanced level of theory. State-averaged vibrational complete active space self-consistent field calculations using mode-specific and state-tailored active spaces were found to be very fast and superior to state-specific calculations or calculations with a uniform active space. Benchmark calculations are presented for trans-diazene and bromoform, which show strong resonances in their vibrational spectra.

Space confinement and rotation stress induced self-organization of double-helix nanostructure: a nanotube twist with a moving catalyst head.

PubMed

Zhao, Meng-Qiang; Zhang, Qiang; Tian, Gui-Li; Huang, Jia-Qi; Wei, Fei

2012-05-22

Inorganic materials with double-helix structure have attracted intensive attention due to not only their elegant morphology but also their amazing morphology-related potential applications. The investigation on the formation mechanism of the inorganic double-helix nanostructure is the first step for the fundamental studies of their materials or physical properties. Herein, we demonstrated the space confinement and rotation stress induced self-organization mechanism of the carbon nanotube (CNT)-array double helices under scanning electron microscopy by directly observing their formation process from individual layered double hydroxide flakes, which is a kind of hydrotalcite-like material composed of positively charged layers and charge-balancing interlayer anions. Space confinement is considered to be the most important extrinsic factor for the formation of CNT-array double helices. Synchronous growth of the CNT arrays oppositely from LDH flakes with space confinement on both sides at the same time is essential for the growth of CNT-array double helices. Coiling of the as-grown CNT arrays into double helices will proceed by self-organization, tending to the most stable morphology in order to release their internal rotation stress. Based on the demonstrated mechanism, effective routes were carried out to improve the selectivity for CNT-array double helices. The work provides a promising method for the fabrication of double-helix nanostructures with their two helices connected at the end by self-assembly.

Charging in the ac Conductance of a Double Barrier Resonant Tunneling Structure

NASA Technical Reports Server (NTRS)

Anantram, M. P.; Saini, Subhash (Technical Monitor)

1998-01-01

There have been many studies of the linear response ac conductance of a double barrier resonant tunneling structure (DBRTS), both at zero and finite dc biases. While these studies are important, they fail to self consistently include the effect of the time dependent charge density in the well. In this paper, we calculate the ac conductance at both zero and finite do biases by including the effect of the time dependent charge density in the well in a self consistent manner. The charge density in the well contributes to both the flow of displacement currents in the contacts and the time dependent potential in the well. We find that including these effects can make a significant difference to the ac conductance and the total ac current is not equal to the simple average of the non-selfconsistently calculated conduction currents in the two contacts. This is illustrated by comparing the results obtained with and without the effect of the time dependent charge density included correctly. Some possible experimental scenarios to observe these effects are suggested.

Cloud-based design of high average power traveling wave linacs

NASA Astrophysics Data System (ADS)

Kutsaev, S. V.; Eidelman, Y.; Bruhwiler, D. L.; Moeller, P.; Nagler, R.; Barbe Welzel, J.

2017-12-01

The design of industrial high average power traveling wave linacs must accurately consider some specific effects. For example, acceleration of high current beam reduces power flow in the accelerating waveguide. Space charge may influence the stability of longitudinal or transverse beam dynamics. Accurate treatment of beam loading is central to the design of high-power TW accelerators, and it is especially difficult to model in the meter-scale region where the electrons are nonrelativistic. Currently, there are two types of available codes: tracking codes (e.g. PARMELA or ASTRA) that cannot solve self-consistent problems, and particle-in-cell codes (e.g. Magic 3D or CST Particle Studio) that can model the physics correctly but are very time-consuming and resource-demanding. Hellweg is a special tool for quick and accurate electron dynamics simulation in traveling wave accelerating structures. The underlying theory of this software is based on the differential equations of motion. The effects considered in this code include beam loading, space charge forces, and external magnetic fields. We present the current capabilities of the code, provide benchmarking results, and discuss future plans. We also describe the browser-based GUI for executing Hellweg in the cloud.

Structure resonances due to space charge in periodic focusing channels

NASA Astrophysics Data System (ADS)

Li, Chao; Jameson, R. A.

2018-02-01

The Vlasov-Poisson model is one of the most effective methods to study the space charge dominated beam evolution self-consistently in a periodic focusing channel. Since the approach to get the solution with this model is not trivial, previous studies are limited in degenerated conditions, either in smoothed channel (constant focusing) [I. Hofmann, Phys. Rev. E 57, 4713 (1998)] or in alternating gradient focusing channel with equal initial beam emittance condition in the degrees of freedom [I. Hofmann et al., Part. Accel. 13, 145 (1983); Chao Li et al., THOBA02, IPAC2016]. To establish a basis, we intentionally limit this article to the study of the pure transverse periodic focusing lattice with arbitrary initial beam condition, and the same lattice structure in both degrees of freedom, but with possibility of different focusing strengths. This will show the extension of the existing work. The full Hamiltonian is invoked for a pure transverse focusing lattice in various initial beam conditions, revealing different mode structure and additional modes beyond those of the degenerated cases. Application of the extended method to realistic lattices (including longitudinal accelerating elements) and further details will then reveal many new insights, and will be presented in later work.

Spin polarized and density modulated phases in symmetric electron-electron and electron-hole bilayers.

PubMed

Kumar, Krishan; Moudgil, R K

2012-10-17

We have studied symmetric electron-electron and electron-hole bilayers to explore the stable homogeneous spin phase and the feasibility of inhomogeneous charge-/spin-density ground states. The former is resolved by comparing the ground-state energies in states of different spin polarizations, while the latter is resolved by searching for a divergence in the wavevector-dependent static charge/spin susceptibility. For this endeavour, we have used the dielectric approach within the self-consistent mean-field theory of Singwi et al. We find that the inter-layer interactions tend to change an abrupt spin-polarization transition of an isolated layer into a nearly gradual one, even though the partially spin-polarized phases are not clearly stable within the accuracy of our calculation. The transition density is seen to decrease with a reduction in layer spacing, implying a suppression of spin polarization by inter-layer interactions. Indeed, the suppression shows up distinctly in the spin susceptibility computed from the spin-polarization dependence of the ground-state energy. However, below a critical layer spacing, the unpolarized liquid becomes unstable against a charge-density-wave (CDW) ground state at a density preceding full spin polarization, with the transition density for the CDW state increasing on further reduction in the layer spacing. Due to attractive e-h correlations, the CDW state is found to be more pronounced in the e-h bilayer. On the other hand, the static spin susceptibility diverges only in the long-wavelength limit, which simply represents a transition to the homogeneous spin-polarized phase.

Current-Voltage and Floating-Potential characteristics of cylindrical emissive probes from a full-kinetic model based on the orbital motion theory

NASA Astrophysics Data System (ADS)

Chen, Xin; Sánchez-Arriaga, Gonzalo

2018-02-01

To model the sheath structure around an emissive probe with cylindrical geometry, the Orbital-Motion theory takes advantage of three conserved quantities (distribution function, transverse energy, and angular momentum) to transform the stationary Vlasov-Poisson system into a single integro-differential equation. For a stationary collisionless unmagnetized plasma, this equation describes self-consistently the probe characteristics. By solving such an equation numerically, parametric analyses for the current-voltage (IV) and floating-potential (FP) characteristics can be performed, which show that: (a) for strong emission, the space-charge effects increase with probe radius; (b) the probe can float at a positive potential relative to the plasma; (c) a smaller probe radius is preferred for the FP method to determine the plasma potential; (d) the work function of the emitting material and the plasma-ion properties do not influence the reliability of the floating-potential method. Analytical analysis demonstrates that the inflection point of an IV curve for non-emitting probes occurs at the plasma potential. The flat potential is not a self-consistent solution for emissive probes.

Turbulent Equilibria for Charged Particles in Space

NASA Astrophysics Data System (ADS)

Yoon, Peter

2017-04-01

The solar wind electron distribution function is apparently composed of several components including non-thermal tail population. The electron distribution that contains energetic tail feature is well fitted with the kappa distribution function. The solar wind protons also possess quasi power-law tail distribution function that is well fitted with an inverse power law model. The present paper discusses the latest theoretical development regarding the dynamical steady-state solution of electrons and Langmuir turbulence that are in turbulent equilibrium. According to such a theory, the Maxwellian and kappa distribution functions for the electrons emerge as the only two possible solution that satisfy the steady-state weak turbulence plasma kinetic equation. For the proton inverse power-law tail problem, a similar turbulent equilibrium solution can be conceived of, but instead of high-frequency Langmuir fluctuation, the theory involves low-frequency kinetic Alfvenic turbulence. The steady-state solution of the self-consistent proton kinetic equation and wave kinetic equation for Alfvenic waves can be found in order to obtain a self-consistent solution for the inverse power law tail distribution function.

The effect of plasma density and emitter geometry on space charge limits for field emitter array electron charge emission into a space plasma

NASA Astrophysics Data System (ADS)

Morris, Dave; Gilchrist, Brian; Gallimore, Alec

2001-02-01

Field Emitter Array Cathodes (FEACs) are a new technology being developed for several potential spacecraft electron emission and charge control applications. Instead of a single hot (i.e., high powered) emitter, or a gas dependant plasma contactor, FEAC systems consist of many (hundreds or thousands) of small (micron level) cathode/gate pairs printed on a semiconductor wafer that effect cold field emission at relatively low voltages. Each individual cathode emits only micro-amp level currents, but a functional array is capable of amp/cm2 current densities. It is hoped that thus FEAC offers the possibility of a relatively low-power, simple to integrate, and inexpensive technique for the high level of current emissions that are required for an electrodynamic tether (EDT) propulsion mission. Space charge limits are a significant concern for the EDT application. Vacuum chamber tests and PIC simulations are being performed at the University of Michigan Plasmadynamics and Electric Propulsion Laboratory and Space Physics Research Laboratory to determine the effect of plasma density and emitter geometry on space charge limitations. The results of this work and conclusions to date of how to best mitigate space charge limits will be presented. .

Negative differential mobility for negative carriers as revealed by space charge measurements on crosslinked polyethylene insulated model cables

NASA Astrophysics Data System (ADS)

Teyssedre, G.; Vu, T. T. N.; Laurent, C.

2015-12-01

Among features observed in polyethylene materials under relatively high field, space charge packets, consisting in a pulse of net charge that remains in the form of a pulse as it crosses the insulation, are repeatedly observed but without complete theory explaining their formation and propagation. Positive charge packets are more often reported, and the models based on negative differential mobility(NDM) for the transport of holes could account for some charge packets phenomenology. Conversely, NDM for electrons transport has never been reported so far. The present contribution reports space charge measurements by pulsed electroacoustic method on miniature cables that are model of HVDC cables. The measurements were realized at room temperature or with a temperature gradient of 10 °C through the insulation under DC fields on the order 30-60 kV/mm. Space charge results reveal systematic occurrence of a negative front of charges generated at the inner electrode that moves toward the outer electrode at the beginning of the polarization step. It is observed that the transit time of the front of negative charge increases, and therefore the mobility decreases, with the applied voltage. Further, the estimated mobility, in the range 10-14-10-13 m2 V-1 s-1 for the present results, increases when the temperature increases for the same condition of applied voltage. The features substantiate the hypothesis of negative differential mobility used for modelling space charge packets.

Electrostatic correlations in inhomogeneous charged fluids beyond loop expansion

NASA Astrophysics Data System (ADS)

Buyukdagli, Sahin; Achim, C. V.; Ala-Nissila, T.

2012-09-01

Electrostatic correlation effects in inhomogeneous symmetric electrolytes are investigated within a previously developed electrostatic self-consistent theory [R. R. Netz and H. Orland, Eur. Phys. J. E 11, 301 (2003)], 10.1140/epje/i2002-10159-0. To this aim, we introduce two computational approaches that allow to solve the self-consistent equations beyond the loop expansion. The first method is based on a perturbative Green's function technique, and the second one is an extension of a previously introduced semiclassical approximation for single dielectric interfaces to the case of slit nanopores. Both approaches can handle the case of dielectrically discontinuous boundaries where the one-loop theory is known to fail. By comparing the theoretical results obtained from these schemes with the results of the Monte Carlo simulations that we ran for ions at neutral single dielectric interfaces, we first show that the weak coupling Debye-Huckel theory remains quantitatively accurate up to the bulk ion density ρb ≃ 0.01 M, whereas the self-consistent theory exhibits a good quantitative accuracy up to ρb ≃ 0.2 M, thus improving the accuracy of the Debye-Huckel theory by one order of magnitude in ionic strength. Furthermore, we compare the predictions of the self-consistent theory with previous Monte Carlo simulation data for charged dielectric interfaces and show that the proposed approaches can also accurately handle the correlation effects induced by the surface charge in a parameter regime where the mean-field result significantly deviates from the Monte Carlo data. Then, we derive from the perturbative self-consistent scheme the one-loop theory of asymmetrically partitioned salt systems around a dielectrically homogeneous charged surface. It is shown that correlation effects originate in these systems from a competition between the salt screening loss at the interface driving the ions to the bulk region, and the interfacial counterion screening excess attracting them towards the surface. This competition can be quantified in terms of the characteristic surface charge σ _s^*=√{2ρ _b/(π ℓ _B)}, where ℓB = 7 Å is the Bjerrum length. In the case of weak surface charges σ _s≪ σ _s^* where counterions form a diffuse layer, the interfacial salt screening loss is the dominant effect. As a result, correlation effects decrease the mean-field density of both coions and counterions. With an increase of the surface charge towards σ _s^*, the surface-attractive counterion screening excess starts to dominate, and correlation effects amplify in this regime the mean-field density of both type of ions. However, in the regime σ _s>σ _s^*, the same counterion screening excess also results in a significant decrease of the electrostatic mean-field potential. This reduces in turn the mean-field counterion density far from the charged surface. We also show that for σ _s≫ σ _s^*, electrostatic correlations result in a charge inversion effect. However, the electrostatic coupling regime where this phenomenon takes place should be verified with Monte Carlo simulations since this parameter regime is located beyond the validity range of the one-loop theory.

Electrostatic correlations in inhomogeneous charged fluids beyond loop expansion.

PubMed

Buyukdagli, Sahin; Achim, C V; Ala-Nissila, T

2012-09-14

Electrostatic correlation effects in inhomogeneous symmetric electrolytes are investigated within a previously developed electrostatic self-consistent theory [R. R. Netz and H. Orland, Eur. Phys. J. E 11, 301 (2003)]. To this aim, we introduce two computational approaches that allow to solve the self-consistent equations beyond the loop expansion. The first method is based on a perturbative Green's function technique, and the second one is an extension of a previously introduced semiclassical approximation for single dielectric interfaces to the case of slit nanopores. Both approaches can handle the case of dielectrically discontinuous boundaries where the one-loop theory is known to fail. By comparing the theoretical results obtained from these schemes with the results of the Monte Carlo simulations that we ran for ions at neutral single dielectric interfaces, we first show that the weak coupling Debye-Huckel theory remains quantitatively accurate up to the bulk ion density ρ(b) ≃ 0.01 M, whereas the self-consistent theory exhibits a good quantitative accuracy up to ρ(b) ≃ 0.2 M, thus improving the accuracy of the Debye-Huckel theory by one order of magnitude in ionic strength. Furthermore, we compare the predictions of the self-consistent theory with previous Monte Carlo simulation data for charged dielectric interfaces and show that the proposed approaches can also accurately handle the correlation effects induced by the surface charge in a parameter regime where the mean-field result significantly deviates from the Monte Carlo data. Then, we derive from the perturbative self-consistent scheme the one-loop theory of asymmetrically partitioned salt systems around a dielectrically homogeneous charged surface. It is shown that correlation effects originate in these systems from a competition between the salt screening loss at the interface driving the ions to the bulk region, and the interfacial counterion screening excess attracting them towards the surface. This competition can be quantified in terms of the characteristic surface charge σ(s)*=√(2ρ(b)/(πl(B)), where l(B) = 7 Å is the Bjerrum length. In the case of weak surface charges σ(s)≪σ(s)* where counterions form a diffuse layer, the interfacial salt screening loss is the dominant effect. As a result, correlation effects decrease the mean-field density of both coions and counterions. With an increase of the surface charge towards σ(s)*, the surface-attractive counterion screening excess starts to dominate, and correlation effects amplify in this regime the mean-field density of both type of ions. However, in the regime σ(s)>σ(s)*, the same counterion screening excess also results in a significant decrease of the electrostatic mean-field potential. This reduces in turn the mean-field counterion density far from the charged surface. We also show that for σ(s)≫σ(s)*, electrostatic correlations result in a charge inversion effect. However, the electrostatic coupling regime where this phenomenon takes place should be verified with Monte Carlo simulations since this parameter regime is located beyond the validity range of the one-loop theory.

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

Kovchavtsev, A. P., E-mail: kap@isp.nsc.ru; Tsarenko, A. V.; Guzev, A. A.

The influence of electron energy quantization in a space-charge region on the accumulation capacitance of the InAs-based metal-oxide-semiconductor capacitors (MOSCAPs) has been investigated by modeling and comparison with the experimental data from Au/anodic layer(4-20 nm)/n-InAs(111)A MOSCAPs. The accumulation capacitance for MOSCAPs has been calculated by the solution of Poisson equation with different assumptions and the self-consistent solution of Schrödinger and Poisson equations with quantization taken into account. It was shown that the quantization during the MOSCAPs accumulation capacitance calculations should be taken into consideration for the correct interface states density determination by Terman method and the evaluation of gate dielectric thicknessmore » from capacitance-voltage measurements.« less

Design of a 2 kA, 30 fs Rf-Photoinjector for Waterbag Compression

NASA Astrophysics Data System (ADS)

van der Geer, S. B.; Luiten, O. J.; de Loos, M. J.

Because uniformly filled ellipsoidal ‘waterbag’ bunches have linear self-fields in all dimensions, they do not suffer from space-charge induced brightness degradation. This in turn allows very efficient longitudinal compression of high-brightness bunches at sub or mildly relativistic energies, a parameter regime inaccessible up to now due to detrimental effects of non-linear space-charge forces. To demonstrate the feasibility of this approach, we investigate ballistic bunching of 1 MeV, 100 pC waterbag electron bunches, created in a half-cell rf-photogun, by means of a two-cell booster-compressor. Detailed GPT simulations of this table-top set-up are presented, including realistic fields, 3D space-charge effects, path-length differences and image charges at the cathode. It is shown that with a single 10MW S-band klystron and fields of 100 MV/m, 2kA peak current is attainable with a pulse duration of only 30 fs at a transverse normalized emittance of 1.5 μm.

Three-dimensional particle-in-cell simulation on gain saturation effect of microchannel plate

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

Wang, Qiangqiang; Yuan, Zheng; Cao, Zhurong, E-mail: cao33jin@aliyun.com

We present here the results of the simulation work, using the three-dimensional particle-in-cell method, on the performance of the lead glass microchannel plate under saturated state. We calculated the electron cascade process with different DC bias voltages under both self-consistent condition and non-self-consistent condition. The comparative results have demonstrated that the strong self-consistent field can suppress the cascade process and make the microchannel plate saturated. The simulation results were also compared to the experimental data and good agreement was obtained. The simulation results also show that the electron multiplication process in the channel is accompanied by the buildup process ofmore » positive charges in the channel wall. Though the interactions among the secondary electron cloud in the channel, the positive charges in the channel wall, and the external acceleration field can make the electron-surface collision more frequent, the collision energy will be inevitably reduced, thus the electron gain will also be reduced.« less

A Theory for Self-consistent Acceleration of Energetic Charged Particles by Dynamic Small-scale Flux Ropes

NASA Astrophysics Data System (ADS)

le Roux, J. A.; Zank, G. P.; Khabarova, O.; Webb, G. M.

2016-12-01

Simulations of charged particle acceleration in turbulent plasma regions with numerous small-scale contracting and merging (reconnecting) magnetic islands/flux ropes emphasize the key role of temporary particle trapping in these structures for efficient acceleration that can result in power-law spectra. In response, a comprehensive kinetic transport theory framework was developed by Zank et al. and le Roux et al. to capture the essential physics of energetic particle acceleration in solar wind regions containing numerous dynamic small-scale flux ropes. Examples of test particle solutions exhibiting hard power-law spectra for energetic particles were presented in recent publications by both Zank et al. and le Roux et al.. However, the considerable pressure in the accelerated particles suggests the need for expanding the kinetic transport theory to enable a self-consistent description of energy exchange between energetic particles and small-scale flux ropes. We plan to present the equations of an expanded kinetic transport theory framework that will enable such a self-consistent description.

Excitation spectra of retinal by multiconfiguration pair-density functional theory.

PubMed

Dong, Sijia S; Gagliardi, Laura; Truhlar, Donald G

2018-03-07

Retinal is the chromophore in proteins responsible for vision. The absorption maximum of retinal is sensitive to mutations of the protein. However, it is not easy to predict the absorption spectrum of retinal accurately, and questions remain even after intensive investigation. Retinal poses a challenge for Kohn-Sham density functional theory (KS-DFT) because of the charge transfer character in its excitations, and it poses a challenge for wave function theory because the large size of the molecule makes multiconfigurational perturbation theory methods expensive. In this study, we demonstrate that multiconfiguration pair-density functional theory (MC-PDFT) provides an efficient way to predict the vertical excitation energies of 11-Z retinal, and it reproduces the experimentally determined absorption band widths and peak positions better than complete active space second-order perturbation theory (CASPT2). The consistency between complete active space self-consistent field (CASSCF) and KS-DFT dipole moments is demonstrated to be a useful criterion in selecting the active space. We also found that the nature of the terminal groups and the conformations of retinal play a significant role in the absorption spectrum. By considering a thermal distribution of conformations, we predict an absorption spectrum of retinal that is consistent with the experimental gas-phase spectrum. The location of the absorption peak and the spectral broadening based on MC-PDFT calculations agree better with experiments than those of CASPT2.

The tight binding model study of the role of band filling on the charge gap in graphene-on-substrate in paramagnetic state

NASA Astrophysics Data System (ADS)

Panda, Rudrashish; Sahu, Sivabrata; Rout, G. C.

2017-05-01

We communicate here a tight binding theoretical model study of the band filling effect on the charge gap in graphene-on-substrate. The Hamiltonian consists of nearest neighbor electron hopping and substrate induced gap. Besides this the Coulomb interaction is considered here within mean-field approximation in the paramagnetic limit. The electron occupancies at two sublattices are calculated by Green's function technique and are solved self consistently. Finally the charge gap i.e. Δ ¯=U [ < na > -< nb > ] is calculated and computed numerically. The results are reported.

A self-consistent two-fluid model of a magnetized plasma-wall transition

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

Gyergyek, T.; Jožef Stefan Institute, Jamova 39, P.O. Box 100, 1000 Ljubljana; Kovačič, J.

A self-consistent one-dimensional two-fluid model of the magnetized plasma-wall transition is presented. The model includes magnetic field, elastic collisions between ions and electrons, and creation/annihilation of charged particles. Two systems of differential equations are derived. The first system describes the whole magnetized plasma-wall transition region, which consists of the pre-sheath, the magnetized pre-sheath (Chodura layer), and the sheath, which is not neutral, but contains a positive space charge. The second system of equations describes only the neutral part of the plasma-wall transition region—this means only the pre-sheath and the Chodura layer, but not also the sheath. Both systems are solvedmore » numerically. The first system of equations has two singularities. The first occurs when ion velocity in the direction perpendicularly to the wall drops below the ion thermal velocity. The second occurs when the electron velocity in the direction perpendicularly to the wall exceeds the electron thermal velocity. The second system of differential equations only has one singularity, which has also been derived analytically. For finite electron to ion mass ratio, the integration of the second system always breaks down before the Bohm criterion is fulfilled. Some properties of the first system of equations are examined. It is shown that the increased collision frequency demagnetizes the plasma. On the other hand, if the magnetic field is so strong that the ion Larmor radius and the Debye length are comparable, the electron velocity in the direction perpendicularly to the wall reaches the electron thermal velocity before the ion velocity in the direction perpendicularly to the wall reaches the ion sound velocity. In this case, the integration of the model equations breaks down before the Bohm criterion is fulfilled and the sheath is formed.« less

Pair interactions in polyelectrolyte-nanoparticle systems: Influence of dielectric inhomogeneities and the partial dissociation of polymers and nanoparticles.

PubMed

Pryamitsyn, Victor; Ganesan, Venkat

2015-10-28

We study the effective pair interactions between two charged spherical particles in polyelectrolyte solutions using polymer self-consistent field theory. In a recent study [V. Pryamitsyn and V. Ganesan, Macromolecules 47, 6095 (2015)], we considered a model in which the particles possess fixed charge density, the polymers contain a prespecified amount of dissociated charges and, the dielectric constant of the solution was assumed to be homogeneous in space and independent of the polymer concentration. In this article, we present results extending our earlier model to study situations in which either or both the particle and the polymers possess partially dissociable groups. Additionally, we also consider the case when the dielectric constant of the solution depends on the local concentration of the polymers and when the particle's dielectric constant is lower than that of the solvent. For each case, we quantify the polymer-mediated interactions between the particles as a function of the polymer concentrations and the degree of dissociation of the polymer and particles. Consistent with the results of our previous study, we observe that the polymer-mediated interparticle interactions consist of a short-range attraction and a long-range repulsion. The partial dissociablity of the polymer and particles was seen to have a strong influence on the strength of the repulsive portion of the interactions. Rendering the dielectric permittivity to be inhomogeneous has an even stronger effect on the repulsive interactions and results in changes to the qualitative nature of interactions in some parametric ranges.

Film Self-Assembly of Oppositely Charged Macromolecules Triggered by Electrochemistry through a Morphogenic Approach.

PubMed

Dochter, Alexandre; Garnier, Tony; Pardieu, Elodie; Chau, Nguyet Trang Thanh; Maerten, Clément; Senger, Bernard; Schaaf, Pierre; Jierry, Loïc; Boulmedais, Fouzia

2015-09-22

The development of new surface functionalization methods that are easy to use, versatile, and allow local deposition represents a real scientific challenge. Overcoming this challenge, we present here a one-pot process that consists in self-assembling, by electrochemistry on an electrode, films made of oppositely charged macromolecules. This method relies on a charge-shifting polyanion, dimethylmaleic-modified poly(allylamine) (PAHd), that undergoes hydrolysis at acidic pH, leading to an overall switching of its charge. When a mixture of the two polyanions, PAHd and poly(styrenesulfonate) (PSS), is placed in contact with an electrode, where the pH is decreased locally by electrochemistry, the transformation of PAHd into a polycation (PAH) leads to the continuous self-assembly of a nanometric PAH/PSS film by electrostatic interactions. The pH decrease is obtained by the electrochemical oxidation of hydroquinone, which produces protons locally over nanometric distances. Using a negatively charged enzyme, alkaline phosphatase (AP), instead of PSS, this one-pot process allows the creation of enzymatically active films. Under mild conditions, self-assembled PAH/AP films have an enzymatic activity which is adjustable simply by controlling the self-assembly time. The selective functionalization of microelectrode arrays by PAH/AP was achieved, opening the route toward miniaturized biosensors.

Negative differential mobility for negative carriers as revealed by space charge measurements on crosslinked polyethylene insulated model cables

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

Teyssedre, G., E-mail: gilbert.teyssedre@laplace.univ-tlse.fr; Laurent, C.; CNRS, LAPLACE, F-31062 Toulouse

Among features observed in polyethylene materials under relatively high field, space charge packets, consisting in a pulse of net charge that remains in the form of a pulse as it crosses the insulation, are repeatedly observed but without complete theory explaining their formation and propagation. Positive charge packets are more often reported, and the models based on negative differential mobility(NDM) for the transport of holes could account for some charge packets phenomenology. Conversely, NDM for electrons transport has never been reported so far. The present contribution reports space charge measurements by pulsed electroacoustic method on miniature cables that are modelmore » of HVDC cables. The measurements were realized at room temperature or with a temperature gradient of 10 °C through the insulation under DC fields on the order 30–60 kV/mm. Space charge results reveal systematic occurrence of a negative front of charges generated at the inner electrode that moves toward the outer electrode at the beginning of the polarization step. It is observed that the transit time of the front of negative charge increases, and therefore the mobility decreases, with the applied voltage. Further, the estimated mobility, in the range 10{sup −14}–10{sup −13} m{sup 2} V{sup −1} s{sup −1} for the present results, increases when the temperature increases for the same condition of applied voltage. The features substantiate the hypothesis of negative differential mobility used for modelling space charge packets.« less

Novel molecular device based on electrostatic interactions in organic polymers.

PubMed

Kwok, H L; Xu, J B

2004-04-01

A number of researchers have reported attempts to design molecular level devices. One approach is to make use of electrostatic interactions in different parts of a polymeric molecule. This paper reports a means to achieve this by adding space charge to a molecule consisting of symmetric and asymmetric subgroups. Physically, space charge residing in a subgroup produces a dipolar charge layer thereby creating a potential trough in the polymer backbone. By lifting or lowering this potential minimum, it is possible to modify the terminal current. The effect of space charge on the potential profile in the polymer backbone was examined and the change correlated to data on carrier mobilities for OC1C10-PPV reported in the literature. Modulation of space charge in the subgroup allows the manipulation of current flow along the polymer backbone, forming the basis for the development of a molecular device. A first-order analysis suggested that such a device could have current-voltage (I-V) characteristics similar to those of a MOSFET at subthreshold, with an estimated transconductance approximately 1-2 pAV and a cutoff frequency approximately 10(15) Hz.

Distinctive electrical properties in sandwich-structured Al2O3/low density polyethylene nanocomposites

NASA Astrophysics Data System (ADS)

Wang, Si-Jiao; Zha, Jun-Wei; Li, Wei-Kang; Dang, Zhi-Min

2016-02-01

The sandwich-structured Al2O3/low density polyethylene (Al2O3/LDPE) nanocomposite dielectrics consisting of layer-by-layer with different concentration Al2O3 loading were prepared by melt-blending and following hot pressing method. The space charge distribution from pulsed electro-acoustic method and breakdown strength of the nanocomposites were investigated. Compared with the single-layer Al2O3/LDPE nanocomposites, the sandwich-structured nanocomposites remarkably suppressed the space charge accumulation and presented higher breakdown strength. The charges in the sandwich-structured nanocomposites decayed much faster than that in the single-layer nanocomposites, which was attributed to an effective electric field caused by the formation of the interfacial space charges. The energy depth of shallow and deep traps was estimated as 0.73 eV and 1.17 eV in the sandwich-structured nanocomposites, respectively, according to the thermal excitation theoretical model we proposed. This work provides an attractive strategy of design and fabrication of polymer nanocomposites with excellent space charge suppression.

Composite space charge density functions for the calculation of gamma sensitivity of self-powered neutron detectors, using Warren's model

NASA Astrophysics Data System (ADS)

Mahant, A. K.; Rao, P. S.; Misra, S. C.

1994-07-01

In the calculational model developed by Warren and Shah for the computation of the gamma sensitivity ( Sγ) it has been observed that the computed Sγ value is quite sensitive to the space charge distribution function assumed for the insulator region and the energy of the gamma photons. The Sγ of SPNDs with Pt, Co and V emitters (manufactured by Thermocoax, France) has been measured at 60Co photon energy and a good correlation between the measured and computed values has been obtained using a composite space charge density function (CSCD), the details of which are presented in this paper. The arguments are extended for evaluating the Sγ values of several SPNDs for which Warren and Shah reported the measured values for a prompt fission gamma spectrum obtained in a swimming pool reactor. These results are also discussed.

Modeling the total dust production of Enceladus from stochastic charge equilibrium and simulations

NASA Astrophysics Data System (ADS)

Meier, Patrick; Motschmann, Uwe; Schmidt, Jürgen; Spahn, Frank; Hill, Thomas W.; Dong, Yaxue; Jones, Geraint H.; Kriegel, Hendrik

2015-12-01

Negatively and positively charged nano-sized ice grains were detected in the Enceladus plume by the Cassini Plasma Spectrometer (CAPS). However, no data for uncharged grains, and thus for the total amount of dust, are available. In this paper we estimate this population of uncharged grains based on a model of stochastic charging in thermodynamic equilibrium and on the assumption of quasi-neutrality in the plasma-dust system. This estimation is improved upon by combining simulations of the dust component of the plume and simulations for the plasma environment into one self-consistent model. Calibration of this model with CAPS data provides a total dust production rate of about 12 kg s-1, including larger dust grains up to a few microns in size. We find that the fraction of charged grains dominates over that of the uncharged grains. Moreover, our model reproduces densities of both negatively and positively charged nanograins measured by Cassini CAPS. In Enceladus' plume ion densities up to ~104cm-3 are required by the self-consistent model, resulting in an electron depletion of about 50% in the plasma, because electrons are attached to the negatively charged nanograins. These ion densities correspond to effective ionization rates of about 10-7s-1, which are about two orders of magnitude higher than expected.

The influence of the breakdown electric field in the configuration of lightning corona sheath on charge distribution in the channel

NASA Astrophysics Data System (ADS)

Ignjatovic, Milan; Cvetic, Jovan; Heidler, Fridolin; Markovic, Slavoljub; Djuric, Radivoje

2014-11-01

A model of corona sheath that surrounds the thin core of the lightning channel has been investigated by using a generalized traveling current source return stroke model. The lightning channel is modeled by a charged corona sheath that stretches around a highly conductive central core through which the main current flows. The channel core with the negatively charged outer channel sheath forms a strong electric field, with an overall radial orientation. The return stroke process is modeled as the negative leader charge in the corona sheath being discharged by the positive charge coming from the channel core. Expressions that describe how the corona sheath radius evolves during the return stroke are obtained from the corona sheath model, which predicts charge motion within the sheath. The corona sheath model, set forth by Maslowski and Rakov (2006), Tausanovic et al. (2010), Marjanovic and Cvetic (2009), Cvetic et al. (2011) and Cvetic et al. (2012), divides the sheath onto three zones: zone 1 (surrounding the channel core with net positive charge), zone 2 (surrounding zone 1 with negative charge) and zone 3 (the outer zone, representing uncharged virgin air). In the present study, we have assumed a constant electric field inside zone 1, as suggested by experimental research of corona discharges in coaxial geometry conducted by Cooray (2000). The present investigation builds upon previous studies by Tausanovic et al. (2010) and Cvetic et al. (2012) in several ways. The value of the breakdown electric field has been varied for probing its effect on channel charge distribution prior and during the return stroke. With the aim of investigating initial space charge distribution along the channel, total electric field at the outer surface of the channel corona sheath, just before the return stroke, is calculated and compared for various return stroke models. A self-consistent algorithm is applied to the generalized traveling current source return stroke model, so that the boundary condition for total electric field is fulfilled. The new density of space charge and the new radius of channel corona envelope, immediately before the return stroke stage, are calculated. The obtained results indicate a strong dependence of channel charge distribution on the breakdown electric field value. Among the compared return stroke models, transmission-line-type models have exhibited a good agreement with the predictions of the Gauss' law regarding total breakdown electric field on the corona sheath's outer surface. The generalized lightning traveling current source return stroke model gives similar results if the adjustment of the space charge density inside the corona sheath is performed.

Self-Assembling of Tetradecylammonium Chain on Swelling High Charge Micas (Na-Mica-3 and Na-Mica-2): Effect of Alkylammonium Concentration and Mica Layer Charge.

PubMed

Pazos, M Carolina; Cota, Agustín; Osuna, Francisco J; Pavón, Esperanza; Alba, María D

2015-04-21

A family of tetradecylammonium micas is synthesized using synthetic swelling micas with high layer charge (Na(n)Si(8-n)Al(n)Mg6F4O20·XH2O, where n = 2 and 3) exchanged with tetradecylammonium cations. The molecular arrangement of the surfactant is elucidated on the basis of XRD patterns and DTA. The ordering conformation of the surfactant molecules into the interlayer space of micas is investigated by IR/FT, (13)C, (27)Al, and (29)Si MAS NMR. The structural arrangement of the tetradecylammonium cation in the interlayer space of high-charge micas is more sensitive to the effect of the mica layer charge at high concentration. The surfactant arrangement is found to follow the bilayer-paraffin model for all values of layer charge and surfactant concentration. However, at initial concentration below the mica CEC, a lateral monolayer is also observed. The amount of ordered conformation all-trans is directly proportional to the layer charge and surfactant concentration.

Space-charge compensation measurements in electron cyclotron resonance ion source low energy beam transport lines with a retarding field analyzer

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

Winklehner, D.; Leitner, D., E-mail: leitnerd@nscl.msu.edu; Cole, D.

2014-02-15

In this paper we describe the first systematic measurement of beam neutralization (space charge compensation) in the ECR low energy transport line with a retarding field analyzer, which can be used to measure the potential of the beam. Expected trends for the space charge compensation levels such as increase with residual gas pressure, beam current, and beam density could be observed. However, the overall levels of neutralization are consistently low (<60%). The results and the processes involved for neutralizing ion beams are discussed for conditions typical for ECR injector beam lines. The results are compared to a simple theoretical beammore » plasma model as well as simulations.« less

Simple phenomenological modeling of transition-region capacitance of forward-biased p-n junction diodes and transistor diodes

NASA Technical Reports Server (NTRS)

Lindholm, F. A.

1982-01-01

The derivation of a simple expression for the capacitance C(V) associated with the transition region of a p-n junction under a forward bias is derived by phenomenological reasoning. The treatment of C(V) is based on the conventional Shockley equations, and simpler expressions for C(V) result that are in general accord with the previous analytical and numerical results. C(V) consists of two components resulting from changes in majority carrier concentration and from free hole and electron accumulation in the space-charge region. The space-charge region is conceived as the intrinsic region of an n-i-p structure for a space-charge region markedly wider than the extrinsic Debye lengths at its edges. This region is excited in the sense that the forward bias creates hole and electron densities orders of magnitude larger than those in equilibrium. The recent Shirts-Gordon (1979) modeling of the space-charge region using a dielectric response function is contrasted with the more conventional Schottky-Shockley modeling.

Dynamic Image Forces Near a Metal Surface and the Point-Charge Motion

ERIC Educational Resources Information Center

Gabovich, A. M.; Voitenko, A. I.

2012-01-01

The problem of charge motion governed by image force attraction near a plane metal surface is considered and solved self-consistently. The temporal dispersion of metal dielectric permittivity makes the image forces dynamic and, hence, finite, contrary to the results of the conventional approach. Therefore, the maximal attainable velocity turns out…

Structural, vibrational, and quasiparticle properties of the Peierls semiconductor BaBiO3 : A hybrid functional and self-consistent GW+vertex-corrections study

NASA Astrophysics Data System (ADS)

Franchini, C.; Sanna, A.; Marsman, M.; Kresse, G.

2010-02-01

BaBiO3 is characterized by a charge disproportionation with half of the Bi atoms possessing a valence 3+ and half a valence 5+ . Because of self-interaction errors, local- and semilocal-density functionals fail to describe the charge disproportionation quantitatively, yielding a too small structural distortion and no band gap. Using hybrid functionals, we obtain a satisfactory description of the structural, electronic, optical, and vibrational properties of BaBiO3 . The results obtained using GW (Green’s function G and screened Coulomb potential W) based schemes on top of hybrid functionals, including fully self-consistent GW calculations with vertex corrections in the dielectric screening, qualitatively confirm the Heyd-Scuseria-Ernzerhof picture but a systematic overestimation of the band gap by about 0.4 eV is observed.

Efficient self-consistency for magnetic tight binding

NASA Astrophysics Data System (ADS)

Soin, Preetma; Horsfield, A. P.; Nguyen-Manh, D.

2011-06-01

Tight binding can be extended to magnetic systems by including an exchange interaction on an atomic site that favours net spin polarisation. We have used a published model, extended to include long-ranged Coulomb interactions, to study defects in iron. We have found that achieving self-consistency using conventional techniques was either unstable or very slow. By formulating the problem of achieving charge and spin self-consistency as a search for stationary points of a Harris-Foulkes functional, extended to include spin, we have derived a much more efficient scheme based on a Newton-Raphson procedure. We demonstrate the capabilities of our method by looking at vacancies and self-interstitials in iron. Self-consistency can indeed be achieved in a more efficient and stable manner, but care needs to be taken to manage this. The algorithm is implemented in the code PLATO. Program summaryProgram title:PLATO Catalogue identifier: AEFC_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFC_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 228 747 No. of bytes in distributed program, including test data, etc.: 1 880 369 Distribution format: tar.gz Programming language: C and PERL Computer: Apple Macintosh, PC, Unix machines Operating system: Unix, Linux, Mac OS X, Windows XP Has the code been vectorised or parallelised?: Yes. Up to 256 processors tested RAM: Up to 2 Gbytes per processor Classification: 7.3 External routines: LAPACK, BLAS and optionally ScaLAPACK, BLACS, PBLAS, FFTW Catalogue identifier of previous version: AEFC_v1_0 Journal reference of previous version: Comput. Phys. Comm. 180 (2009) 2616 Does the new version supersede the previous version?: Yes Nature of problem: Achieving charge and spin self-consistency in magnetic tight binding can be very difficult. Our existing schemes failed altogether, or were very slow. Solution method: A new scheme for achieving self-consistency in orthogonal tight binding has been introduced that explicitly evaluates the first and second derivatives of the energy with respect to input charge and spin, and then uses these to search for stationary values of the energy. Reasons for new version: Bug fixes and new functionality. Summary of revisions: New charge and spin mixing scheme for orthogonal tight binding. Numerous small bug fixes. Restrictions: The new mixing scheme scales poorly with system size. In particular the memory usage scales as number of atoms to the power 4. It is restricted to systems with about 200 atoms or less. Running time: Test cases will run in a few minutes, large calculations may run for several days.

Intrinsic space charge layers and field enhancement in ferroelectric nanojunctions

DOE PAGES

Cao, Ye; Ievlev, Anton V.; Morozovska, Anna N.; ...

2015-07-13

The conducting characteristics of topological defects in the ferroelectric materials, such as charged domain walls in ferroelectric materials, engendered broad interest and extensive study on their scientific merit and the possibility of novel applications utilizing domain engineering. At the same time, the problem of electron transport in ferroelectrics themselves still remains full of unanswered questions, and becomes still more relevant over the impending revival of interest in ferroelectric semiconductors and new improper ferroelectric materials. We have employed self-consistent phase-field modeling to investigate the physical properties of a local metal-ferroelectric (Pb(Zr 0.2Ti 0.8)O3) junction in applied electric field. We revealed anmore » up to 10-fold local field enhancement realized by large polarization gradient and over-polarization effects once the inherent non-linear dielectric properties of PZT are considered. The effect is independent of bias polarity and maintains its strength prior, during and after ferroelectric switching. The local field enhancement can be considered equivalent to increase of doping level, which will give rise to reduction of the switching bias and significantly smaller voltages to charge injection and electronic injection, electrochemical and photoelectrochemical processes.« less

Amplification due to two-stream instability of self-electric and magnetic fields of an ion beam propagating in background plasma

NASA Astrophysics Data System (ADS)

Tokluoglu, Erinc K.; Kaganovich, Igor D.; Carlsson, Johan A.; Hara, Kentaro; Startsev, Edward A.

2018-05-01

Propagation of charged particle beams in background plasma as a method of space charge neutralization has been shown to achieve a high degree of charge and current neutralization and therefore enables nearly ballistic propagation and focusing of charged particle beams. Correspondingly, the use of plasmas for propagation of charged particle beams has important applications for transport and focusing of intense particle beams in inertial fusion and high energy density laboratory plasma physics. However, the streaming of beam ions through a background plasma can lead to the development of two-stream instability between the beam ions and the plasma electrons. The beam electric and magnetic fields enhanced by the two-stream instability can lead to defocusing of the ion beam. Using particle-in-cell simulations, we study the scaling of the instability-driven self-electromagnetic fields and consequent defocusing forces with the background plasma density and beam ion mass. We identify plasma parameters where the defocusing forces can be reduced.

Self-consistent calculations for the electronic structure of a vacancy in copper. A solution of the embedding problem

NASA Astrophysics Data System (ADS)

Zeller, R.; Braspenning, P. J.

1982-06-01

The charge density and the local density of states for a vacancy in Cu and for the first shell of Cu neighbours are calculated by the KKR-Green's function technique. The muffin-tin potentials for the vacancy and the neighbour shell atoms are determined self-consistently in the local density approximation of density functional theory. By the use of the proper host Green's function the embedding of this cluster of 13 perturbed muffin-tins into the infinite array of bulk Cu muffin-tin potentials is described rigorously, thus representing a solution of the embedding problem. The calculations demonstrate a rather large charge transfer of 1.1 electrons from the first neighbour shell to the vacancy.

Preface to Special Topic: Collective Effects in Particle Beams and Nonneutral Plasmas

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

Gilson, Erik P.; Qin, Hong

Nonneutral plasmas are plasma systems in which there is no overall charge neutrality, including the limit of systems that are fully unneutralized in which there are particles of only a single sign of charge. Here, examples of nonneutral plasmas include charged-particle beams, pure electron plasmas, pure positron plasmas, and pure-ion plasmas consisting of a variety of ion charge states in a single trap. A key feature of nonneutral plasmas which distinguishes them from quasineutral plasmas is that their self-electric and self-magnetic fields can play a dominant role in the behavior of the system. Moreover, single-component plasmas can be confined inmore » states of global thermal equilibrium, enabling detailed theoretical and experimental studies of fundamental plasma phenomena and precise testing of models.« less

Electrokinetic Supercapacitor for Simultaneous Harvesting and Storage of Mechanical Energy.

PubMed

Yang, Peihua; Qu, Xiaopeng; Liu, Kang; Duan, Jiangjiang; Li, Jia; Chen, Qian; Xue, Guobin; Xie, Wenke; Xu, Zhimou; Zhou, Jun

2018-03-07

Energy harvesting and storage are two distinct processes that are generally achieved using two separated parts based on different physical and chemical principles. Here we report a self-charging electrokinetic supercapacitor that directly couples the energy harvesting and storage processes into one device. The device consists of two identical carbon nanotube/titanium electrodes, separated by a piece of anodic aluminum oxide nanochannels membrane. Pressure-driven electrolyte flow through the nanochannels generates streaming potential, which can be used to charge the capacitive electrodes, accomplishing simultaneous energy generation and storage. The device stores electric charge density of 0.4 mC cm -2 after fully charging under pressure of 2.5 bar. This work may offer a train of thought for the development of a new type of energy unit for self-powered systems.

Preface to Special Topic: Collective Effects in Particle Beams and Nonneutral Plasmas

DOE PAGES

Gilson, Erik P.; Qin, Hong

2018-01-30

Nonneutral plasmas are plasma systems in which there is no overall charge neutrality, including the limit of systems that are fully unneutralized in which there are particles of only a single sign of charge. Here, examples of nonneutral plasmas include charged-particle beams, pure electron plasmas, pure positron plasmas, and pure-ion plasmas consisting of a variety of ion charge states in a single trap. A key feature of nonneutral plasmas which distinguishes them from quasineutral plasmas is that their self-electric and self-magnetic fields can play a dominant role in the behavior of the system. Moreover, single-component plasmas can be confined inmore » states of global thermal equilibrium, enabling detailed theoretical and experimental studies of fundamental plasma phenomena and precise testing of models.« less

Image charge models for accurate construction of the electrostatic self-energy of 3D layered nanostructure devices.

PubMed

Barker, John R; Martinez, Antonio

2018-04-04

Efficient analytical image charge models are derived for the full spatial variation of the electrostatic self-energy of electrons in semiconductor nanostructures that arises from dielectric mismatch using semi-classical analysis. The methodology provides a fast, compact and physically transparent computation for advanced device modeling. The underlying semi-classical model for the self-energy has been established and validated during recent years and depends on a slight modification of the macroscopic static dielectric constants for individual homogeneous dielectric regions. The model has been validated for point charges as close as one interatomic spacing to a sharp interface. A brief introduction to image charge methodology is followed by a discussion and demonstration of the traditional failure of the methodology to derive the electrostatic potential at arbitrary distances from a source charge. However, the self-energy involves the local limit of the difference between the electrostatic Green functions for the full dielectric heterostructure and the homogeneous equivalent. It is shown that high convergence may be achieved for the image charge method for this local limit. A simple re-normalisation technique is introduced to reduce the number of image terms to a minimum. A number of progressively complex 3D models are evaluated analytically and compared with high precision numerical computations. Accuracies of 1% are demonstrated. Introducing a simple technique for modeling the transition of the self-energy between disparate dielectric structures we generate an analytical model that describes the self-energy as a function of position within the source, drain and gated channel of a silicon wrap round gate field effect transistor on a scale of a few nanometers cross-section. At such scales the self-energies become large (typically up to ~100 meV) close to the interfaces as well as along the channel. The screening of a gated structure is shown to reduce the self-energy relative to un-gated nanowires.

Image charge models for accurate construction of the electrostatic self-energy of 3D layered nanostructure devices

NASA Astrophysics Data System (ADS)

Barker, John R.; Martinez, Antonio

2018-04-01

Efficient analytical image charge models are derived for the full spatial variation of the electrostatic self-energy of electrons in semiconductor nanostructures that arises from dielectric mismatch using semi-classical analysis. The methodology provides a fast, compact and physically transparent computation for advanced device modeling. The underlying semi-classical model for the self-energy has been established and validated during recent years and depends on a slight modification of the macroscopic static dielectric constants for individual homogeneous dielectric regions. The model has been validated for point charges as close as one interatomic spacing to a sharp interface. A brief introduction to image charge methodology is followed by a discussion and demonstration of the traditional failure of the methodology to derive the electrostatic potential at arbitrary distances from a source charge. However, the self-energy involves the local limit of the difference between the electrostatic Green functions for the full dielectric heterostructure and the homogeneous equivalent. It is shown that high convergence may be achieved for the image charge method for this local limit. A simple re-normalisation technique is introduced to reduce the number of image terms to a minimum. A number of progressively complex 3D models are evaluated analytically and compared with high precision numerical computations. Accuracies of 1% are demonstrated. Introducing a simple technique for modeling the transition of the self-energy between disparate dielectric structures we generate an analytical model that describes the self-energy as a function of position within the source, drain and gated channel of a silicon wrap round gate field effect transistor on a scale of a few nanometers cross-section. At such scales the self-energies become large (typically up to ~100 meV) close to the interfaces as well as along the channel. The screening of a gated structure is shown to reduce the self-energy relative to un-gated nanowires.

Elastin-like Polypeptide (ELP) Charge Influences Self-Assembly of ELP-mCherry Fusion Proteins.

PubMed

Mills, Carolyn E; Michaud, Zachary; Olsen, Bradley D

2018-05-23

Self-assembly of protein-polymer bioconjugates presents an elegant strategy for controlling nanostructure and orientation of globular proteins in functional materials. Recent work has shown that genetic fusion of globular protein mCherry to an elastin-like polypeptide (ELP) yields similar self-assembly behavior to these protein-polymer bioconjugates. In the context of studying protein-polymer bioconjugate self-assembly, the mutability of the ELP sequence allows several different properties of the ELP block to be tuned orthogonally while maintaining consistent polypeptide backbone chemistry. This work uses this ELP sequence tunability in combination with the precise control offered by genetic engineering of an amino acid sequence to generate a library of four novel ELP sequences that are used to study the combined effect of charge and hydrophobicity on ELP-mCherry fusion protein self-assembly. Concentrated solution self-assembly is studied by small-angle X-ray scattering (SAXS) and depolarized light scattering (DPLS). These experiments show that fusions containing a negatively charged ELP block do not assemble at all, and fusions with a charge balanced ELP block exhibit a weak propensity for assembly. By comparison, the fusion containing an uncharged ELP block starts to order at 40 wt % in solution and at all concentrations measured has sharper, more intense SAXS peaks than other fusion proteins. These experiments show that charge character of the ELP block is a stronger predictor of self-assembly behavior than the hydrophobicity of the ELP block. Dilute solution small-angle neutron scattering (SANS) on the ELPs alone suggests that all ELPs used in this study (including the uncharged ELP) adopt dilute solution conformations similar to those of traditional polymers, including polyampholytes and polyelectrolytes. Finally, dynamic light scattering studies on ELP-mCherry blends shows that there is no significant complexation between the charged ELPs and mCherry. Therefore, it is proposed that the superior self-assembly of fusion proteins containing uncharged ELP block is due to effective repulsions between charged and uncharged blocks due to local charge correlation effects and, in the case of anionic ELPs, repulsion between like charges within the ELP block.

The tight binding model study of the role of anisotropic AFM spin ordering in the charge ordered CMR manganites

NASA Astrophysics Data System (ADS)

Kar, J. K.; Panda, Saswati; Rout, G. C.

2017-05-01

We propose here a tight binding model study of the interplay between charge and spin orderings in the CMR manganites taking anisotropic effect due to electron hoppings and spin exchanges. The Hamiltonian consists of the kinetic energies of eg and t2g electrons of manganese ion. It further includes double exchange and Heisenberg interactions. The charge density wave interaction (CDW) describes an extra mechanism for the insulating character of the system. The CDW gap and spin parameters are calculated using Zubarev's Green's function technique and computed self-consistently. The results are reported in this communication.

Morphology of Block Copolymer Electrolytes: A Numerical Self-Consistent Field Theory Study

NASA Astrophysics Data System (ADS)

Hou, Kevin; Qin, Jian

Engineering the morphology of ion-containing block copolymers is imperative for the optimization of their charge-transport and mechanical properties. Existing experiments have demonstrated that the addition of ions has a dramatic effect on the morphology and thermodynamic behavior of these structured electrolytes. We have developed an efficient, symmetry-adapted algorithm to calculate the ionic interactions in the SCFT for ion-containing polymers. We present the results of a numerical SCFT study examining how dielectric heterogeneity, ion concentration, and ion solvation affect morphology, domain spacing, ion distribution, and polymer density profiles. Particular attention is given to the detailed morphological analysis of the bicontinuous gyroidal phase, as well as the relevance of the aforementioned results to ionic conductivity.

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

Le, Hai P.; Cambier, Jean -Luc

Here, we present a numerical model and a set of conservative algorithms for Non-Maxwellian plasma kinetics with inelastic collisions. These algorithms self-consistently solve for the time evolution of an isotropic electron energy distribution function interacting with an atomic state distribution function of an arbitrary number of levels through collisional excitation, deexcitation, as well as ionization and recombination. Electron-electron collisions, responsible for thermalization of the electron distribution, are also included in the model. The proposed algorithms guarantee mass/charge and energy conservation in a single step, and is applied to the case of non-uniform gridding of the energy axis in the phasemore » space of the electron distribution function. Numerical test cases are shown to demonstrate the accuracy of the method and its conservation properties.« less

Towards an ab initio theory for metal L-edge soft X-ray spectroscopy of molecular aggregates.

PubMed

Preuße, Marie; Bokarev, Sergey I; Aziz, Saadullah G; Kühn, Oliver

2016-11-01

The Frenkel exciton model was adapted to describe X-ray absorption and resonant inelastic scattering spectra of polynuclear transition metal complexes by means of the restricted active space self-consistent field method. The proposed approach allows to substantially decrease the requirements on computational resources if compared to a full supermolecular quantum chemical treatment. This holds true, in particular, in cases where the dipole approximation to the electronic transition charge density can be applied. The computational protocol was applied to the calculation of X-ray spectra of the hemin complex, which forms dimers in aqueous solution. The aggregation effects were found to be comparable to the spectral alterations due to the replacement of the axial ligand by solvent molecules.

Ab Initio Crystal Field for Lanthanides.

PubMed

Ungur, Liviu; Chibotaru, Liviu F

2017-03-13

An ab initio methodology for the first-principle derivation of crystal-field (CF) parameters for lanthanides is described. The methodology is applied to the analysis of CF parameters in [Tb(Pc) 2 ] - (Pc=phthalocyanine) and Dy 4 K 2 ([Dy 4 K 2 O(OtBu) 12 ]) complexes, and compared with often used approximate and model descriptions. It is found that the application of geometry symmetrization, and the use of electrostatic point-charge and phenomenological CF models, lead to unacceptably large deviations from predictions based on ab initio calculations for experimental geometry. It is shown how the predictions of standard CASSCF (Complete Active Space Self-Consistent Field) calculations (with 4f orbitals in the active space) can be systematically improved by including effects of dynamical electronic correlation (CASPT2 step) and by admixing electronic configurations of the 5d shell. This is exemplified for the well-studied Er-trensal complex (H 3 trensal=2,2',2"-tris(salicylideneimido)trimethylamine). The electrostatic contributions to CF parameters in this complex, calculated with true charge distributions in the ligands, yield less than half of the total CF splitting, thus pointing to the dominant role of covalent effects. This analysis allows the conclusion that ab initio crystal field is an essential tool for the decent description of lanthanides. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Space charge induced surface stresses: implications in ceria and other ionic solids.

PubMed

Sheldon, Brian W; Shenoy, Vivek B

2011-05-27

Volume changes associated with point defects in space charge layers can produce strains that substantially alter thermodynamic equilibrium near surfaces in ionic solids. For example, near-surface compressive stresses exceeding -10 GPa are predicted for ceria. The magnitude of this effect is consistent with anomalous lattice parameter increases that occur in ceria nanoparticles. These stresses should significantly alter defect concentrations and key transport properties in a wide range of materials (e.g., ceria electrolytes in fuel cells). © 2011 American Physical Society

Space- and time-resolved raman and breakdown spectroscopy: advanced lidar techniques

NASA Astrophysics Data System (ADS)

Silviu, Gurlui; Marius Mihai, Cazacu; Adrian, Timofte; Oana, Rusu; Georgiana, Bulai; Dimitriu, Dan

2018-04-01

DARLIOES - the advanced LIDAR is based on space- and time-resolved RAMAN and breakdown spectroscopy, to investigate chemical and toxic compounds, their kinetics and physical properties at high temporal (2 ns) and spatial (1 cm) resolution. The high spatial and temporal resolution are needed to resolve a large variety of chemical troposphere compounds, emissions from aircraft, the self-organization space charges induced light phenomena, temperature and humidity profiles, ice nucleation, etc.

Effect of current density on electron beam induced charging in MgO

NASA Astrophysics Data System (ADS)

Boughariou, Aicha; Hachicha, Olfa; Kallel, Ali; Blaise, Guy

2005-11-01

It is well known that the presence of space charge in an insulator is correlated with an electric breakdown. Many studies have been carried out on the experimental characterization of space charges. In this paper, we outline the dependence on the current density of the charge-trapping phenomenon in magnesium oxide. Our study was performed with a dedicated scanning electron microscope (SEM) on the electrical property evolution of surface of magnesium oxide (1 0 0) (MgO) single crystal, during a 1.1, 5 and 30 keV electron irradiation. The types of charges trapped on the irradiated areas and the charging kinetics are determined by measuring the total secondary electron emission (SEE) σ during the injection process by means of two complementary detectors. At low energies 1.1 and 5 keV, two different kinds of self-regulated regime (σ = 1) were observed as a function of current density. At 30 keV energy, the electron emission appears to be stimulated by the current density, due to the Poole-Frenkel effect.

Measuring the Thickness and Potential Profiles of the Space-Charge Layer at Organic/Organic Interfaces under Illumination and in the Dark by Scanning Kelvin Probe Microscopy.

PubMed

Rojas, Geoffrey A; Wu, Yanfei; Haugstad, Greg; Frisbie, C Daniel

2016-03-09

Scanning Kelvin probe microscopy was used to measure band-bending at the model donor/acceptor heterojunction poly(3-hexylthiophene) (P3HT)/fullerene (C60). Specifically, we measured the variation in the surface potential of C60 films with increasing thicknesses grown on P3HT to produce a surface potential profile normal to the substrate both in the dark and under illumination. The results confirm a space-charge carrier region with a thickness of 10 nm, consistent with previous observations. We discuss the possibility that the domain size in bulk heterojunction organic solar cells, which is comparable to the space-charge layer thickness, is actually partly responsible for less than expected electron/hole recombination rates.

Preshock region acceleration of implanted cometary H(+) and O(+)

NASA Astrophysics Data System (ADS)

Gombosi, T. I.

1988-01-01

A self-consistent, three-fluid model of plasma transport and implanted ion acceleration in the unshocked solar wind is presented. The solar wind plasma is depleted by charge exchange with the expanding cometary exosphere, while implanted protons and heavy ions are produced by photoionization and charge transfer and lost by charge exchange. A generalized transport equation describing convection, adiabatic and diffusive velocity change, and the appropriate production terms is used to describe the evolution of the two cometary ion components, while the moments of the Boltzmann equation are used to calculate the solar wind density and pressure. The flow velocity is obtained self-consistently by combining the conservation equations of the three ion species. The results imply that second-order Fermi acceleration can explain the implanted spectra observed in the unshocked solar wind. Comparison of measured and calculated distribution indicates that spatial diffusion of implanted ions probably plays an important role in forming the energetic particle environment in the shock vicinity.

Extended Lagrangian formulation of charge-constrained tight-binding molecular dynamics.

PubMed

Cawkwell, M J; Coe, J D; Yadav, S K; Liu, X-Y; Niklasson, A M N

2015-06-09

The extended Lagrangian Born-Oppenheimer molecular dynamics formalism [Niklasson, Phys. Rev. Lett., 2008, 100, 123004] has been applied to a tight-binding model under the constraint of local charge neutrality to yield microcanonical trajectories with both precise, long-term energy conservation and a reduced number of self-consistent field optimizations at each time step. The extended Lagrangian molecular dynamics formalism restores time reversal symmetry in the propagation of the electronic degrees of freedom, and it enables the efficient and accurate self-consistent optimization of the chemical potential and atomwise potential energy shifts in the on-site elements of the tight-binding Hamiltonian that are required when enforcing local charge neutrality. These capabilities are illustrated with microcanonical molecular dynamics simulations of a small metallic cluster using an sd-valent tight-binding model for titanium. The effects of weak dissipation on the propagation of the auxiliary degrees of freedom for the chemical potential and on-site Hamiltonian matrix elements that is used to counteract the accumulation of numerical noise during trajectories was also investigated.

Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods

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

Ganesh, P.; Kim, Jeongnim; Park, Changwon

2014-11-03

In highly accurate diffusion quantum Monte Carlo (QMC) studies of the adsorption and diffusion of atomic lithium in AA-stacked graphite are compared with van der Waals-including density functional theory (DFT) calculations. Predicted QMC lattice constants for pure AA graphite agree with experiment. Pure AA-stacked graphite is shown to challenge many van der Waals methods even when they are accurate for conventional AB graphite. Moreover, the highest overall DFT accuracy, considering pure AA-stacked graphite as well as lithium binding and diffusion, is obtained by the self-consistent van der Waals functional vdW-DF2, although errors in binding energies remain. Empirical approaches based onmore » point charges such as DFT-D are inaccurate unless the local charge transfer is assessed. Our results demonstrate that the lithium carbon system requires a simultaneous highly accurate description of both charge transfer and van der Waals interactions, favoring self-consistent approaches.« less

PARMELA_B: a new version of PARMELA with coherent synchrotron radiation effects and a finite difference space charge routine

NASA Astrophysics Data System (ADS)

Koltenbah, Benjamin E. C.; Parazzoli, Claudio G.; Greegor, Robert B.; Dowell, David H.

2002-07-01

Recent interest in advanced laser light sources has stimulated development of accelerator systems of intermediate beam energy, 100-200 MeV, and high charge, 1-10 nC, for high power FEL applications and high energy, 1-2 GeV, high charge, SASE-FEL applications. The current generation of beam transport codes which were developed for high-energy, low-charge beams with low self-fields are inadequate to address this energy and charge regime, and better computational tools are required to accurately calculate self-fields. To that end, we have developed a new version of PARMELA, named PARMELA_B and written in Fortran 95, which includes a coherent synchrotron radiation (CSR) routine and an improved, generalized space charge (SC) routine. An electron bunch is simulated by a collection of macro-particles, which traverses a series of beam line elements. At each time step through the calculation, the momentum of each particle is updated due to the presence of external and self-fields. The self-fields are due to CSR and SC. For the CSR calculations, the macro-particles are further combined into macro-particle-bins that follow the central trajectory of the bend. The energy change through the time step is calculated from expressions derived from the Liénard-Wiechart formulae, and from this energy change the particle's momentum is updated. For the SC calculations, we maintain the same rest-frame-electrostatic approach of the original PARMELA; however, we employ a finite difference Poisson equation solver instead of the symmetrical ring algorithm of the original code. In this way, we relax the symmetry assumptions in the original code. This method is based upon standard numerical procedures and conserves momentum to first order. The SC computational grid is adaptive and conforms to the size of the pulse as it evolves through the calculation. We provide descriptions of these two algorithms, validation comparisons with other CSR and SC methods, and a limited comparison with experimental results.

Shock structures in a strongly coupled self-gravitating opposite-polarity dust plasma

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

Mamun, A. A.; Schlickeiser, R.

2016-03-15

A strongly coupled, self-gravitating, opposite-polarity dust plasma (containing strongly coupled inertial positive and negative dust fluids, and inertialess weakly coupled ions) is considered. The generalized hydrodynamic model and the reductive perturbation method are employed to examine the possibility for the formation of the dust-acoustic (DA) shock structures in such an opposite-polarity dust plasma. It has been shown that the strong correlation among charged dust is a source of dissipation and is responsible for the formation of the DA shock structures in such the opposite-polarity dust plasma medium. The parametric regimes for the existence of the DA shock structures (associated withmore » electrostatic and gravitational potentials) and their basic properties (viz., polarity, amplitude, width, and speed) are found to be significantly modified by the combined effects of positively charged dust component, self-gravitational field, and strong correlation among charged dust. The implications of our results in different space plasma environments and laboratory plasma devices are briefly discussed.« less

Nanostructure of propylammonium nitrate in the presence of poly(ethylene oxide) and halide salts

NASA Astrophysics Data System (ADS)

Stefanovic, Ryan; Webber, Grant B.; Page, Alister J.

2018-05-01

Nanoscale structure of protic ionic liquids is critical to their utility as molecular electrochemical solvents since it determines the capacity to dissolve salts and polymers such as poly(ethylene oxide) (PEO). Here we use quantum chemical molecular dynamics simulations to investigate the impact of dissolved halide anions on the nanostructure of an archetypal nanostructured protic ionic liquid, propylammonium nitrate (PAN), and how this impacts the solvation of a model PEO polymer. At the molecular level, PAN is nanostructured, consisting of charged/polar and uncharged/nonpolar domains. The charged domain consists of the cation/anion charge groups, and is formed by their electrostatic interaction. This domain solvophobically excludes the propyl chains on the cation, which form a distinct, self-assembled nonpolar domain within the liquid. Our simulations demonstrate that the addition of Cl- and Br- anions to PAN disrupts the structure within the PAN charged domain due to competition between nitrate and halide anions for the ammonium charge centre. This disruption increases with halide concentration (up to 10 mol. %). However, at these concentrations, halide addition has little effect on the structure of the PAN nonpolar domain. Addition of PEO to pure PAN also disrupts the structure within the charged domain of the liquid due to hydrogen bonding between the charge groups and the terminal PEO hydroxyl groups. There is little other association between the PEO structure and the surrounding ionic liquid solvent, with strong PEO self-interaction yielding a compact, coiled polymer morphology. Halide addition results in greater association between the ionic liquid charge centres and the ethylene oxide components of the PEO structure, resulting in reduced conformational flexibility, compared to that observed in pure PAN. Similarly, PEO self-interactions increase in the presence of Cl- and Br- anions, compared to PAN, indicating that the addition of halide salts to PAN decreases its utility as a molecular solvent for polymers such as PEO.

Application of discrete solvent reaction field model with self-consistent atomic charges and atomic polarizabilities to calculate the χ(1) and χ(2) of organic molecular crystals

NASA Astrophysics Data System (ADS)

Lu, Shih-I.

2018-01-01

We use the discrete solvent reaction field model to evaluate the linear and second-order nonlinear optical susceptibilities of 3-methyl-4-nitropyridine-1-oxyde crystal. In this approach, crystal environment is created by supercell architecture. A self-consistent procedure is used to obtain charges and polarizabilities for environmental atoms. Impact of atomic polarizabilities on the properties of interest is highlighted. This approach is shown to give the second-order nonlinear optical susceptibilities within error bar of experiment as well as the linear optical susceptibilities in the same order as experiment. Similar quality of calculations are also applied to both 4-N,N-dimethylamino-3-acetamidonitrobenzene and 2-methyl-4-nitroaniline crystals.

"Who I'd Like to Meet: Lil Wayne and God" Self-Disclosure in Emerging Adults' MySpace Profiles

ERIC Educational Resources Information Center

Bobkowski, Piotr Szymon

2010-01-01

Self-disclosure--the communication of information about oneself to another--is fundamental to the construction of a personal online presence. In many online venues (e.g., MySpace, Facebook) users self-disclose themselves into being. This study examined who said what about themselves on MySpace and how consistently they did so in comparison to…

The Vlasov-Poisson-Boltzmann System for a Disparate Mass Binary Mixture

NASA Astrophysics Data System (ADS)

Duan, Renjun; Liu, Shuangqian

2017-11-01

The Vlasov-Poisson-Boltzmann system is often used to govern the motion of plasmas consisting of electrons and ions with disparate masses when collisions of charged particles are described by the two-component Boltzmann collision operator. The perturbation theory of the system around global Maxwellians recently has been well established in Guo (Commun Pure Appl Math 55:1104-1135, 2002). It should be more interesting to further study the existence and stability of nontrivial large time asymptotic profiles for the system even with slab symmetry in space, particularly understanding the effect of the self-consistent potential on the non-trivial long-term dynamics of the binary system. In this paper, we consider the problem in the setting of rarefaction waves. The analytical tool is based on the macro-micro decomposition introduced in Liu et al. (Physica D 188(3-4):178-192, 2004) that we have been able to develop for the case of the two-component Boltzmann equations around local bi-Maxwellians. Our focus is to explore how the disparate masses and charges of particles play a role in the analysis of the approach of the complex coupling system time-asymptotically toward a non-constant equilibrium state whose macroscopic quantities satisfy the quasineutral nonisentropic Euler system.

Electrostatically Tuned Self-Assembly of Branched Amphiphilic Peptides

DOE PAGES

Ting, Christina L.; Frischknecht, Amalie L.; Stevens, Mark J.; ...

2014-06-19

Electrostatics plays an important role in the self-assembly of amphiphilic peptides. To develop a molecular understanding of the role of the electrostatic interactions, we develop a coarse-grained model peptide and apply self-consistent field theory to investigate the peptide assembly into a variety of aggregate nanostructures. We find that the presence and distribution of charged groups on the hydrophilic branches of the peptide can modify the molecular configuration from extended to collapsed. This change in molecular configuration influences the packing into spherical micelles, cylindrical micelles (nanofibers), or planar bilayers. The effects of charge distribution therefore has important implications for the designmore » and utility of functional materials based on peptides.« less

Self-consistent chaos in a mean-field Hamiltonian model of fluids and plasmas

NASA Astrophysics Data System (ADS)

del-Castillo-Negrete, D.; Firpo, Marie-Christine

2002-11-01

We present a mean-field Hamiltonian model that describes the collective dynamics of marginally stable fluids and plasmas. In plasmas, the model describes the self-consistent evolution of electron holes and clumps in phase space. In fluids, the model describes the dynamics of vortices with negative and positive circulation in shear flows. The mean-field nature of the system makes it a tractable model to study the dynamics of large degrees-of-freedom, coupled Hamiltonian systems. Here we focus in the role of self-consistent chaos in the formation and destruction of phase space coherent structures. Numerical simulations in the finite N and in the Narrow kinetic limit (where N is the number of particles) show the existence of coherent, rotating dipole states. We approximate the dipole as two macroparticles, and show that the N = 2 limit has a family of rotating integrable solutions described by a one degree-of-freedom nontwist Hamiltonian. The coherence of the dipole is explained in terms of a parametric resonance between the rotation frequency of the macroparticles and the oscillation frequency of the self-consistent mean field. For a class of initial conditions, the mean field exhibits a self-consistent, elliptic-hyperbolic bifurcation that leads to the destruction of the dipole and violent mixing of the phase space.

Self-consistent treatment of the local dielectric permittivity and electrostatic potential in solution for polarizable macromolecular force fields.

PubMed

Hassan, Sergio A

2012-08-21

A self-consistent method is presented for the calculation of the local dielectric permittivity and electrostatic potential generated by a solute of arbitrary shape and charge distribution in a polar and polarizable liquid. The structure and dynamics behavior of the liquid at the solute/liquid interface determine the spatial variations of the density and the dielectric response. Emphasis here is on the treatment of the interface. The method is an extension of conventional methods used in continuum protein electrostatics, and can be used to estimate changes in the static dielectric response of the liquid as it adapts to charge redistribution within the solute. This is most relevant in the context of polarizable force fields, during electron structure optimization in quantum chemical calculations, or upon charge transfer. The method is computationally efficient and well suited for code parallelization, and can be used for on-the-fly calculations of the local permittivity in dynamics simulations of systems with large and heterogeneous charge distributions, such as proteins, nucleic acids, and polyelectrolytes. Numerical calculation of the system free energy is discussed for the general case of a liquid with field-dependent dielectric response.

Self-consistent treatment of the local dielectric permittivity and electrostatic potential in solution for polarizable macromolecular force fields

NASA Astrophysics Data System (ADS)

Hassan, Sergio A.

2012-08-01

A self-consistent method is presented for the calculation of the local dielectric permittivity and electrostatic potential generated by a solute of arbitrary shape and charge distribution in a polar and polarizable liquid. The structure and dynamics behavior of the liquid at the solute/liquid interface determine the spatial variations of the density and the dielectric response. Emphasis here is on the treatment of the interface. The method is an extension of conventional methods used in continuum protein electrostatics, and can be used to estimate changes in the static dielectric response of the liquid as it adapts to charge redistribution within the solute. This is most relevant in the context of polarizable force fields, during electron structure optimization in quantum chemical calculations, or upon charge transfer. The method is computationally efficient and well suited for code parallelization, and can be used for on-the-fly calculations of the local permittivity in dynamics simulations of systems with large and heterogeneous charge distributions, such as proteins, nucleic acids, and polyelectrolytes. Numerical calculation of the system free energy is discussed for the general case of a liquid with field-dependent dielectric response.

Self-consistent treatment of the local dielectric permittivity and electrostatic potential in solution for polarizable macromolecular force fields

PubMed Central

Hassan, Sergio A.

2012-01-01

A self-consistent method is presented for the calculation of the local dielectric permittivity and electrostatic potential generated by a solute of arbitrary shape and charge distribution in a polar and polarizable liquid. The structure and dynamics behavior of the liquid at the solute/liquid interface determine the spatial variations of the density and the dielectric response. Emphasis here is on the treatment of the interface. The method is an extension of conventional methods used in continuum protein electrostatics, and can be used to estimate changes in the static dielectric response of the liquid as it adapts to charge redistribution within the solute. This is most relevant in the context of polarizable force fields, during electron structure optimization in quantum chemical calculations, or upon charge transfer. The method is computationally efficient and well suited for code parallelization, and can be used for on-the-fly calculations of the local permittivity in dynamics simulations of systems with large and heterogeneous charge distributions, such as proteins, nucleic acids, and polyelectrolytes. Numerical calculation of the system free energy is discussed for the general case of a liquid with field-dependent dielectric response. PMID:22920098

Three-dimensional relativistic field-electron interaction in a multicavity high-power klystron. 1: Basic theory

NASA Technical Reports Server (NTRS)

Kosmahl, H. G.

1982-01-01

A theoretical investigation of three dimensional relativistic klystron action is described. The relativistic axisymmetric equations of motion are derived from the time-dependent Lagrangian function for a charged particle in electromagnetic fields. An analytical expression of the fringing RF electric and magnetic fields within and in the vicinity of the interaction gap and the space-charge forces between axially and radially elastic deformable rings of charges are both included in the formulation. This makes an accurate computation of electron motion through the tunnel of the cavities and the drift tube spaces possible. Method of analysis is based on Lagrangian formulation. Bunching is computed using a disk model of electron stream in which the electron stream is divided into axisymmetric disks of equal charge and each disk is assumed to consist of a number of concentric rings of equal charges. The Individual representative groups of electrons are followed through the interaction gaps and drift tube spaces. Induced currents and voltages in interacting cavities are calculated by invoking the Shockley-Ramo theorem.

Chemically Doped Double-Walled Carbon Nanotubes: Cylindrical Molecular Capacitors

NASA Astrophysics Data System (ADS)

Chen, Gugang; Bandow, S.; Margine, E. R.; Nisoli, C.; Kolmogorov, A. N.; Crespi, Vincent H.; Gupta, R.; Sumanasekera, G. U.; Iijima, S.; Eklund, P. C.

2003-06-01

A double-walled carbon nanotube is used to study the radial charge distribution on the positive inner electrode of a cylindrical molecular capacitor. The outer electrode is a shell of bromine anions. Resonant Raman scattering from phonons on each carbon shell reveals the radial charge distribution. A self-consistent tight-binding model confirms the observed molecular Faraday cage effect, i.e., most of the charge resides on the outer wall, even when this wall was originally semiconducting and the inner wall was metallic.

Chemically doped double-walled carbon nanotubes: cylindrical molecular capacitors.

PubMed

Chen, Gugang; Bandow, S; Margine, E R; Nisoli, C; Kolmogorov, A N; Crespi, Vincent H; Gupta, R; Sumanasekera, G U; Iijima, S; Eklund, P C

2003-06-27

A double-walled carbon nanotube is used to study the radial charge distribution on the positive inner electrode of a cylindrical molecular capacitor. The outer electrode is a shell of bromine anions. Resonant Raman scattering from phonons on each carbon shell reveals the radial charge distribution. A self-consistent tight-binding model confirms the observed molecular Faraday cage effect, i.e., most of the charge resides on the outer wall, even when this wall was originally semiconducting and the inner wall was metallic.

Charging of the Van Allen Probes: Theory and Simulations

NASA Astrophysics Data System (ADS)

Delzanno, G. L.; Meierbachtol, C.; Svyatskiy, D.; Denton, M.

2017-12-01

The electrical charging of spacecraft has been a known problem since the beginning of the space age. Its consequences can vary from moderate (single event upsets) to catastrophic (total loss of the spacecraft) depending on a variety of causes, some of which could be related to the surrounding plasma environment, including emission processes from the spacecraft surface. Because of its complexity and cost, this problem is typically studied using numerical simulations. However, inherent unknowns in both plasma parameters and spacecraft material properties can lead to inaccurate predictions of overall spacecraft charging levels. The goal of this work is to identify and study the driving causes and necessary parameters for particular spacecraft charging events on the Van Allen Probes (VAP) spacecraft. This is achieved by making use of plasma theory, numerical simulations, and on-board data. First, we present a simple theoretical spacecraft charging model, which assumes a spherical spacecraft geometry and is based upon the classical orbital-motion-limited approximation. Some input parameters to the model (such as the warm plasma distribution function) are taken directly from on-board VAP data, while other parameters are either varied parametrically to assess their impact on the spacecraft potential, or constrained through spacecraft charging data and statistical techniques. Second, a fully self-consistent numerical simulation is performed by supplying these parameters to CPIC, a particle-in-cell code specifically designed for studying plasma-material interactions. CPIC simulations remove some of the assumptions of the theoretical model and also capture the influence of the full geometry of the spacecraft. The CPIC numerical simulation results will be presented and compared with on-board VAP data. This work will set the foundation for our eventual goal of importing the full plasma environment from the LANL-developed SHIELDS framework into CPIC, in order to more accurately predict spacecraft charging.

Electron beam charging of insulators: A self-consistent flight-drift model

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

Touzin, M.; Goeuriot, D.; Guerret-Piecourt, C.

2006-06-01

Electron beam irradiation and the self-consistent charge transport in bulk insulating samples are described by means of a new flight-drift model and an iterative computer simulation. Ballistic secondary electron and hole transport is followed by electron and hole drifts, their possible recombination and/or trapping in shallow and deep traps. The trap capture cross sections are the Poole-Frenkel-type temperature and field dependent. As a main result the spatial distributions of currents j(x,t), charges {rho}(x,t), the field F(x,t), and the potential slope V(x,t) are obtained in a self-consistent procedure as well as the time-dependent secondary electron emission rate {sigma}(t) and the surfacemore » potential V{sub 0}(t). For bulk insulating samples the time-dependent distributions approach the final stationary state with j(x,t)=const=0 and {sigma}=1. Especially for low electron beam energies E{sub 0}<4 keV the incorporation of mainly positive charges can be controlled by the potential V{sub G} of a vacuum grid in front of the target surface. For high beam energies E{sub 0}=10, 20, and 30 keV high negative surface potentials V{sub 0}=-4, -14, and -24 kV are obtained, respectively. Besides open nonconductive samples also positive ion-covered samples and targets with a conducting and grounded layer (metal or carbon) on the surface have been considered as used in environmental scanning electron microscopy and common SEM in order to prevent charging. Indeed, the potential distributions V(x) are considerably small in magnitude and do not affect the incident electron beam neither by retarding field effects in front of the surface nor within the bulk insulating sample. Thus the spatial scattering and excitation distributions are almost not affected.« less

The concept of coupling impedance in the self-consistent plasma wake field excitation

NASA Astrophysics Data System (ADS)

Fedele, R.; Akhter, T.; De Nicola, S.; Migliorati, M.; Marocchino, A.; Massimo, F.; Palumbo, L.

2016-09-01

Within the framework of the Vlasov-Maxwell system of equations, we describe the self-consistent interaction of a relativistic charged-particle beam with the surroundings while propagating through a plasma-based acceleration device. This is done in terms of the concept of coupling (longitudinal) impedance in full analogy with the conventional accelerators. It is shown that also here the coupling impedance is a very useful tool for the Nyquist-type stability analysis. Examples of specific physical situations are finally illustrated.

Self-discharge of electrochemical capacitors based on soluble or grafted quinone.

PubMed

Shul, Galyna; Bélanger, Daniel

2016-07-28

The self-discharge of hybrid electrochemical capacitors based on the redox activity of electrolyte additives or grafted species to the electrode material is investigated simultaneously for the cell and each individual electrode. Electrochemical capacitors using a redox-active electrolyte consisting in hydroquinone added to the electrolyte solution and a redox-active electrode based on anthraquinone-grafted carbon as a negative electrode are investigated. The results are analyzed by using Conway kinetic models and compared to those of a common electrochemical double layer capacitor. The self-discharge investigation is complemented by charge/discharge cycling and it is shown that processes affecting galvanostatic charge/discharge cycling and the self-discharge rate occurring at each electrode of an electrochemical capacitor are different but related to each other. The electrochemical capacitor containing hydroquinone in the electrolyte exhibits a much quicker self-discharge rate than that using a negative electrode based on grafted anthraquinone with a 50% decay of the cell voltage of the fully charged device in 0.6 and 6 h, respectively. The fast self-discharge of the former is due to the diffusion of benzoquinone molecules (formed at the positive electrode during charging) to the negative electrode, where they are reduced, causing a quick depolarization. The grafting of anthraquinone molecules on the carbon material of the negative electrode led to a much slower self-discharge, which nonetheless occurred, by the reaction of the reduced form of the grafted species with electrolyte species.

Effective charges of ionic liquid determined self-consistently through combination of molecular dynamics simulation and density-functional theory.

PubMed

Ishizuka, Ryosuke; Matubayasi, Nobuyuki

2017-11-15

A self-consistent scheme combining the molecular dynamics (MD) simulation and density functional theory (DFT) was recently proposed to incorporate the effects of the charge transfer and polarization of ions into non-poralizable force fields of ionic liquids for improved description of energetics and dynamics. The purpose of the present work is to analyze the detailed setups of the MD/DFT scheme by focusing on how the basis set, exchange-correlation (XC) functional, charge-fitting method or force field for the intramolecular and Lennard-Jones interactions affects the MD/DFT results of 1,3-dimethylimidazolium bis(trifluoromethylsulfonyl) imide ( [C1mim][NTf2]) and 1-ethyl-3-methylimidazolium glycinate ( [C2mim][Gly]). It was found that the double-zeta valence polarized or larger size of basis set is required for the convergence of the effective charge of the ion. The choice of the XC functional was further not influential as far as the generalized gradient approximation is used. The charge-fitting method and force field govern the accuracy of the MD/DFT scheme, on the other hand. We examined the charge-fitting methods of Blöchl, the iterative Hirshfeld (Hirshfeld-I), and REPEAT in combination with Lopes et al.'s force field and general AMBER force field. There is no single combination of charge fitting and force field that provides good agreements with the experiments, while the MD/DFT scheme reduces the effective charges of the ions and leads to better description of energetics and dynamics compared to the original force field with unit charges. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Self-consistency in the phonon space of the particle-phonon coupling model

NASA Astrophysics Data System (ADS)

Tselyaev, V.; Lyutorovich, N.; Speth, J.; Reinhard, P.-G.

2018-04-01

In the paper the nonlinear generalization of the time blocking approximation (TBA) is presented. The TBA is one of the versions of the extended random-phase approximation (RPA) developed within the Green-function method and the particle-phonon coupling model. In the generalized version of the TBA the self-consistency principle is extended onto the phonon space of the model. The numerical examples show that this nonlinear version of the TBA leads to the convergence of results with respect to enlarging the phonon space of the model.

Conservative algorithms for non-Maxwellian plasma kinetics

DOE PAGES

Le, Hai P.; Cambier, Jean -Luc

2017-12-08

Here, we present a numerical model and a set of conservative algorithms for Non-Maxwellian plasma kinetics with inelastic collisions. These algorithms self-consistently solve for the time evolution of an isotropic electron energy distribution function interacting with an atomic state distribution function of an arbitrary number of levels through collisional excitation, deexcitation, as well as ionization and recombination. Electron-electron collisions, responsible for thermalization of the electron distribution, are also included in the model. The proposed algorithms guarantee mass/charge and energy conservation in a single step, and is applied to the case of non-uniform gridding of the energy axis in the phasemore » space of the electron distribution function. Numerical test cases are shown to demonstrate the accuracy of the method and its conservation properties.« less

Design and Development of Emittance Measurement Device by Using the Pepper-pot Technique

NASA Astrophysics Data System (ADS)

Pakluea, S.; Rimjaem, S.

2017-09-01

Transverse emittance of a charged particle beam is one of the most important properties that reveals the quality of the beam. It is related to charge density, transvers size and angular displacement of the beam in transverse phase space. There are several techniques to measure the transverse emittance value. One of practical methods is the pepper-pot technique, which can measure both horizontal and vertical emittance value in a single measurement. This research concentrates on development of a pepper-pot device to measure the transverse emittance of electron beam produced from an accelerator injector system, which consists of a thermionic cathode RF electron gun and an alpha magnet, at the Plasma and Beam Physics Research Facility, Chiang Mai University. Simulation of beam dynamics was conducted with programs PARMELA, ELEGANT and self-developed codes using C and MATLAB. The geometry, dimensions and location of the pepper-pot as well as its corresponding screen station position were included in the simulation. The result from this study will be used to design and develop a practical pepper-pot experimental station.

Basic Equations for the Modeling of Gallium Nitride (gan) High Electron Mobility Transistors (hemts)

NASA Technical Reports Server (NTRS)

Freeman, Jon C.

2003-01-01

Gallium nitride (GaN) is a most promising wide band-gap semiconductor for use in high-power microwave devices. It has functioned at 320 C, and higher values are well within theoretical limits. By combining four devices, 20 W has been developed at X-band. GaN High Electron Mobility Transistors (HEMTs) are unique in that the two-dimensional electron gas (2DEG) is supported not by intentional doping, but instead by polarization charge developed at the interface between the bulk GaN region and the AlGaN epitaxial layer. The polarization charge is composed of two parts: spontaneous and piezoelectric. This behavior is unlike other semiconductors, and for that reason, no commercially available modeling software exists. The theme of this document is to develop a self-consistent approach to developing the pertinent equations to be solved. A Space Act Agreement, "Effects in AlGaN/GaN HEMT Semiconductors" with Silvaco Data Systems to implement this approach into their existing software for III-V semiconductors, is in place (summer of 2002).

Make dark matter charged again

NASA Astrophysics Data System (ADS)

Agrawal, Prateek; Cyr-Racine, Francis-Yan; Randall, Lisa; Scholtz, Jakub

2017-05-01

We revisit constraints on dark matter that is charged under a U(1) gauge group in the dark sector, decoupled from Standard Model forces. We find that the strongest constraints in the literature are subject to a number of mitigating factors. For instance, the naive dark matter thermalization timescale in halos is corrected by saturation effects that slow down isotropization for modest ellipticities. The weakened bounds uncover interesting parameter space, making models with weak-scale charged dark matter viable, even with electromagnetic strength interaction. This also leads to the intriguing possibility that dark matter self-interactions within small dwarf galaxies are extremely large, a relatively unexplored regime in current simulations. Such strong interactions suppress heat transfer over scales larger than the dark matter mean free path, inducing a dynamical cutoff length scale above which the system appears to have only feeble interactions. These effects must be taken into account to assess the viability of darkly-charged dark matter. Future analyses and measurements should probe a promising region of parameter space for this model.

Dynamic peptide libraries for the discovery of supramolecular nanomaterials

NASA Astrophysics Data System (ADS)

Pappas, Charalampos G.; Shafi, Ramim; Sasselli, Ivan R.; Siccardi, Henry; Wang, Tong; Narang, Vishal; Abzalimov, Rinat; Wijerathne, Nadeesha; Ulijn, Rein V.

2016-11-01

Sequence-specific polymers, such as oligonucleotides and peptides, can be used as building blocks for functional supramolecular nanomaterials. The design and selection of suitable self-assembling sequences is, however, challenging because of the vast combinatorial space available. Here we report a methodology that allows the peptide sequence space to be searched for self-assembling structures. In this approach, unprotected homo- and heterodipeptides (including aromatic, aliphatic, polar and charged amino acids) are subjected to continuous enzymatic condensation, hydrolysis and sequence exchange to create a dynamic combinatorial peptide library. The free-energy change associated with the assembly process itself gives rise to selective amplification of self-assembling candidates. By changing the environmental conditions during the selection process, different sequences and consequent nanoscale morphologies are selected.

Dynamic peptide libraries for the discovery of supramolecular nanomaterials.

PubMed

Pappas, Charalampos G; Shafi, Ramim; Sasselli, Ivan R; Siccardi, Henry; Wang, Tong; Narang, Vishal; Abzalimov, Rinat; Wijerathne, Nadeesha; Ulijn, Rein V

2016-11-01

Sequence-specific polymers, such as oligonucleotides and peptides, can be used as building blocks for functional supramolecular nanomaterials. The design and selection of suitable self-assembling sequences is, however, challenging because of the vast combinatorial space available. Here we report a methodology that allows the peptide sequence space to be searched for self-assembling structures. In this approach, unprotected homo- and heterodipeptides (including aromatic, aliphatic, polar and charged amino acids) are subjected to continuous enzymatic condensation, hydrolysis and sequence exchange to create a dynamic combinatorial peptide library. The free-energy change associated with the assembly process itself gives rise to selective amplification of self-assembling candidates. By changing the environmental conditions during the selection process, different sequences and consequent nanoscale morphologies are selected.

Nonlinear Delta-f Simulations of Collective Effects in Intense Charged Particle Beams

NASA Astrophysics Data System (ADS)

Qin, Hong

2002-11-01

A nonlinear delta-f particle simulation method based on the Vlasov-Maxwell equations has been recently developed to study collective processes in high-intensity beams, where space-charge and magnetic self-field effects play a critical role in determining the nonlinear beam dynamics. Implemented in the Beam Equilibrium, Stability and Transport (BEST) code, the nonlinear delta-f method provides a low-noise and self-consistent tool for simulating collective interactions and nonlinear dynamics of high-intensity beams in modern and next- generation accelerators and storage rings, such as the Spallation Neutron Source, and heavy ion fusion drivers. Simulation results for the electron-proton two-stream instability in the Proton Storage Ring (PSR) experiment at Los Alamos National Laboratory agree well with experimental observations. Large-scale parallel simulations have also been carried out for the ion-electron two-stream instability in the very high-intensity heavy ion beams envisioned for heavy ion fusion applications. In both cases, the simulation results indicate that the dominant two-stream instability has a dipole-mode (hose-like) structure and can be stabilized by a modest axial momentum spread of the beam particles of less than 0.25collective processes in high-intensity beams, such as anisotropy-driven instabilities, collective eigenmode excitations for perturbations about stable beam equilibria, and the Darwin model for fully electromagnetic perturbations will also be discussed.

Prospects and applications near ferroelectric quantum phase transitions: a key issues review.

PubMed

Chandra, P; Lonzarich, G G; Rowley, S E; Scott, J F

2017-11-01

The emergence of complex and fascinating states of quantum matter in the neighborhood of zero temperature phase transitions suggests that such quantum phenomena should be studied in a variety of settings. Advanced technologies of the future may be fabricated from materials where the cooperative behavior of charge, spin and current can be manipulated at cryogenic temperatures. The progagating lattice dynamics of displacive ferroelectrics make them appealing for the study of quantum critical phenomena that is characterized by both space- and time-dependent quantities. In this key issues article we aim to provide a self-contained overview of ferroelectrics near quantum phase transitions. Unlike most magnetic cases, the ferroelectric quantum critical point can be tuned experimentally to reside at, above or below its upper critical dimension; this feature allows for detailed interplay between experiment and theory using both scaling and self-consistent field models. Empirically the sensitivity of the ferroelectric T c 's to external and to chemical pressure gives practical access to a broad range of temperature behavior over several hundreds of Kelvin. Additional degrees of freedom like charge and spin can be added and characterized systematically. Satellite memories, electrocaloric cooling and low-loss phased-array radar are among possible applications of low-temperature ferroelectrics. We end with open questions for future research that include textured polarization states and unusual forms of superconductivity that remain to be understood theoretically.

Prospects and applications near ferroelectric quantum phase transitions: a key issues review

NASA Astrophysics Data System (ADS)

Chandra, P.; Lonzarich, G. G.; Rowley, S. E.; Scott, J. F.

2017-11-01

The emergence of complex and fascinating states of quantum matter in the neighborhood of zero temperature phase transitions suggests that such quantum phenomena should be studied in a variety of settings. Advanced technologies of the future may be fabricated from materials where the cooperative behavior of charge, spin and current can be manipulated at cryogenic temperatures. The progagating lattice dynamics of displacive ferroelectrics make them appealing for the study of quantum critical phenomena that is characterized by both space- and time-dependent quantities. In this key issues article we aim to provide a self-contained overview of ferroelectrics near quantum phase transitions. Unlike most magnetic cases, the ferroelectric quantum critical point can be tuned experimentally to reside at, above or below its upper critical dimension; this feature allows for detailed interplay between experiment and theory using both scaling and self-consistent field models. Empirically the sensitivity of the ferroelectric T c’s to external and to chemical pressure gives practical access to a broad range of temperature behavior over several hundreds of Kelvin. Additional degrees of freedom like charge and spin can be added and characterized systematically. Satellite memories, electrocaloric cooling and low-loss phased-array radar are among possible applications of low-temperature ferroelectrics. We end with open questions for future research that include textured polarization states and unusual forms of superconductivity that remain to be understood theoretically.

Semiclassical S-matrix for black holes

DOE PAGES

Bezrukov, Fedor; Levkov, Dmitry; Sibiryakov, Sergey

2015-12-01

In this study, we propose a semiclassical method to calculate S-matrix elements for two-stage gravitational transitions involving matter collapse into a black hole and evaporation of the latter. The method consistently incorporates back-reaction of the collapsing and emitted quanta on the metric. We illustrate the method in several toy models describing spherical self-gravitating shells in asymptotically flat and AdS space-times. We find that electrically neutral shells reflect via the above collapse-evaporation process with probability exp(–B), where B is the Bekenstein-Hawking entropy of the intermediate black hole. This is consistent with interpretation of exp(B) as the number of black hole states.more » The same expression for the probability is obtained in the case of charged shells if one takes into account instability of the Cauchy horizon of the intermediate Reissner-Nordström black hole. As a result, our semiclassical method opens a new systematic approach to the gravitational S-matrix in the non-perturbative regime.« less

A pair natural orbital implementation of the coupled cluster model CC2 for excitation energies.

PubMed

Helmich, Benjamin; Hättig, Christof

2013-08-28

We demonstrate how to extend the pair natural orbital (PNO) methodology for excited states, presented in a previous work for the perturbative doubles correction to configuration interaction singles (CIS(D)), to iterative coupled cluster methods such as the approximate singles and doubles model CC2. The original O(N(5)) scaling of the PNO construction is reduced by using orbital-specific virtuals (OSVs) as an intermediate step without spoiling the initial accuracy of the PNO method. Furthermore, a slower error convergence for charge-transfer states is analyzed and resolved by a numerical Laplace transformation during the PNO construction, so that an equally accurate treatment of local and charge-transfer excitations is achieved. With state-specific truncated PNO expansions, the eigenvalue problem is solved by combining the Davidson algorithm with deflation to project out roots that have already been determined and an automated refresh with a generation of new PNOs to achieve self-consistency of the PNO space. For a large test set, we found that truncation errors for PNO-CC2 excitation energies are only slightly larger than for PNO-CIS(D). The computational efficiency of PNO-CC2 is demonstrated for a large organic dye, where a reduction of the doubles space by a factor of more than 1000 is obtained compared to the canonical calculation. A compression of the doubles space by a factor 30 is achieved by a unified OSV space only. Moreover, calculations with the still preliminary PNO-CC2 implementation on a series of glycine oligomers revealed an early break even point with a canonical RI-CC2 implementation between 100 and 300 basis functions.

Neutralization of beam-emitting spacecraft by plasma injection

NASA Technical Reports Server (NTRS)

Sasaki, S.; Kawashima, N.; Kuriki, K.; Yanagisawa, M.; Obayashi, T.; Roberts, W. T.; Reasoner, D. L.; Taylor, W. W. L.

1987-01-01

An impulsive plasma injection has been used to study charge neutralization of the Space Shuttle Orbiter while it was emitting an electron beam into space. This investigation was performed by Space Experiments with Particle Accelerators on Spacelab-1. A plasma consisting of 10 to the 19th argon ion-electron pairs was injected into space for 1 ms while an electron beam was also being emitted into space. The electron beam energy and current were as high as 5 keV and 300 mA. While the orbiter potential was positive before the plasma injection and began to decrease during the plasma injection, it was near zero for 6 to 20 ms after the plasma injection. The recovery time to the initial level of charging varied from 10 to 100 ms. In a laboratory test in a large space chamber using the same flight hardware, the neutralization time was 8-17 ms and the recovery time was 11-20 ms. The long duration of the neutralization effect in space can be explained by a model of diffusion of the cold plasma which is produced near the Orbiter by charge exchange between the neutral argon atoms and the energetic argon ions during plasma injection.

Pulsational mode fluctuations and their basic conservation laws

NASA Astrophysics Data System (ADS)

Borah, B.; Karmakar, P. K.

2015-01-01

We propose a theoretical hydrodynamic model for investigating the basic features of nonlinear pulsational mode stability in a partially charged dust molecular cloud within the framework of the Jeans homogenization assumption. The inhomogeneous cloud is modeled as a quasi-neutral multifluid consisting of the warm electrons, warm ions, and identical inertial cold dust grains with partial ionization in a neutral gaseous background. The grain-charge is assumed not to vary in the fluctuation evolution time scale. The active inertial roles of the thermal species are included. We apply a standard multiple scaling technique centered on the gravito-electrostatic equilibrium to understand the fluctuations on the astrophysical scales of space and time. This is found that electrostatic and self-gravitational eigenmodes co-exist as diverse solitary spectral patterns governed by a pair of Korteweg-de Vries (KdV) equations. In addition, all the relevant classical conserved quantities associated with the KdV system under translational invariance are methodologically derived and numerically analyzed. A full numerical shape-analysis of the fluctuations, scale lengths and perturbed densities with multi-parameter variation of judicious plasma conditions is carried out. A correlation of the perturbed densities and gravito-electrostatic spectral patterns is also graphically indicated. It is demonstrated that the solitary mass, momentum and energy densities also evolve like solitary spectral patterns which remain conserved throughout the spatiotemporal scales of the fluctuation dynamics. Astrophysical and space environments significant to our results are briefly highlighted.

Self-Consistent Charge Density Functional Tight-Binding Study of Poly(3,4-ethylenedioxythiophene): Poly(styrenesulfonate) Ammonia Gas Sensor.

PubMed

Marutaphan, Ampaiwan; Seekaew, Yotsarayuth; Wongchoosuk, Chatchawal

2017-12-01

Geometric and electronic properties of 3,4-ethylenedioxythiophene (EDOT), styrene sulfonate (SS), and EDOT: SS oligomers up to 10 repeating units were studied by the self-consistent charge density functional tight-binding (SCC-DFTB) method. An application of PEDOT:PSS for ammonia (NH 3 ) detection was highlighted and investigated both experimentally and theoretically. The results showed an important role of H-bonds in EDOT:SS oligomers complex conformation. Electrical conductivity of EDOT increased with increasing oligomers and doping SS due to enhancement of π conjugation. Printed PEDOT:PSS gas sensor exhibited relatively high response and selectivity to NH 3 . The SCC-DFTB calculation suggested domination of direct charge transfer process in changing of PEDOT:PSS conductivity upon NH 3 exposure at room temperature. The NH 3 molecules preferred to bind with PEDOT:PSS via physisorption. The most favorable adsorption site for PEDOT:PSS-NH 3 interaction was found to be at the nitrogen atom of NH 3 and hydrogen atoms of SS with an average optimal binding distance of 2.00 Å.

Behavior of collisional sheath in electronegative plasma with q-nonextensive electron distribution

NASA Astrophysics Data System (ADS)

Borgohain, Dima Rani; Saharia, K.

2018-03-01

Electronegative plasma sheath is addressed in a collisional unmagnetized plasma consisting of q-nonextensive electrons, Boltzmann distributed negative ions and cold fluid positive ions. Considering the positive ion-neutral collisions and ignoring the effects of ionization and collisions between negative species and positive ions (neutrals), a modified Bohm sheath criterion and hence floating potential are derived by using multifluid model. Using the modified Bohm sheath criterion, the sheath characteristics such as spatial profiles of density, potential and net space charge density have been numerically investigated. It is found that increasing values of q-nonextensivity, electronegativity and collisionality lead to a decrease of the sheath thickness and an increase of the sheath potential and the net space charge density. With increasing values of the electron temperature to negative ion temperature ratio, the sheath thickness increases and the sheath potential as well as the net space charge density in the sheath region decreases.

Environmental charging of spacecraft-tests of thermal control materials for use on the global positioning system flight space vehicle. Part 2: Specimen 6 to 9

NASA Technical Reports Server (NTRS)

Stevens, N. J.; Berkopec, F. D.; Blech, R. A.

1976-01-01

The NASA/USAF program on the Environmental Charging of Spacecraft Surfaces consists, in part, of experimental efforts directed toward evaluating the response of materials to the environmental charged particle flux. Samples of thermal blankets of the type to be used on the Global Positioning System Flight Space Vehicles were tested to determine their response to electron flux. The primary result observed was that no discharges were obtained with the quartz-fiber-fabric-covered multilayer insulation specimen. The taped aluminized polyester grounding system used on all specimens did not appear to grossly deteriorate with time; however, the specimens require specific external pressure to maintain constant grounding system resistance.

Bimodal self-assembly of an amphiphilic gelator into a hydrogel-nanocatalyst and an organogel with different morphologies and photophysical properties.

PubMed

Sutar, Papri; Maji, Tapas Kumar

2016-11-18

We design a flexible, amphiphilic LMWG consisting of donor and acceptor π-chromophores which self-assembles into a hydrogel and an organogel with different nano-morphologies. Different mechanisms of self-assembly evolve charge transfer (CT) emission in the hydrogel and LMWG-based emission in the organogel. Moreover, the hydrogel-nanostructure with surface exposed amide groups is explored for catalyzing Knoevenagel condensation reaction.

Beam dynamics performances and applications of a low-energy electron-beam magnetic bunch compressor

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

Prokop, C. R.; Piot, P.; Carlsten, B. E.

2013-08-01

Many front-end applications of electron linear accelerators rely on the production of temporally compressed bunches. The shortening of electron bunches is often realized with magnetic bunch compressors located in high-energy sections of accelerators. Magnetic compression is subject to collective effects including space charge and self interaction via coherent synchrotron radiation. In this paper we explore the application of magnetic compression to low-energy (~40MeV), high-charge (nC) electron bunches with low normalized transverse emittances (<5@mm).

A Monte Carlo modeling on charging effect for structures with arbitrary geometries

NASA Astrophysics Data System (ADS)

Li, C.; Mao, S. F.; Zou, Y. B.; Li, Yong Gang; Zhang, P.; Li, H. M.; Ding, Z. J.

2018-04-01

Insulating materials usually suffer charging effects when irradiated by charged particles. In this paper, we present a Monte Carlo study on the charging effect caused by electron beam irradiation for sample structures with any complex geometry. When transporting in an insulating solid, electrons encounter elastic and inelastic scattering events; the Mott cross section and a Lorentz-type dielectric function are respectively employed to describe such scatterings. In addition, the band gap and the electron–long optical phonon interaction are taken into account. The electronic excitation in inelastic scattering causes generation of electron–hole pairs; these negative and positive charges establish an inner electric field, which in turn induces the drift of charges to be trapped by impurities, defects, vacancies etc in the solid, where the distributions of trapping sites are assumed to have uniform density. Under charging conditions, the inner electric field distorts electron trajectories, and the surface electric potential dynamically alters secondary electron emission. We present, in this work, an iterative modeling method for a self-consistent calculation of electric potential; the method has advantages in treating any structure with arbitrary complex geometry, in comparison with the image charge method—which is limited to a quite simple boundary geometry. Our modeling is based on: the combination of the finite triangle mesh method for an arbitrary geometry construction; a self-consistent method for the spatial potential calculation; and a full dynamic description for the motion of deposited charges. Example calculations have been done to simulate secondary electron yield of SiO2 for a semi-infinite solid, the charging for a heterostructure of SiO2 film grown on an Au substrate, and SEM imaging of a SiO2 line structure with rough surfaces and SiO2 nanoparticles with irregular shapes. The simulations have explored interesting interlaced charge layer distribution underneath the nanoparticle surface and the mechanism by which it is produced.

Fractional charge revealed in computer simulations of resonant tunneling in the fractional quantum Hall regime.

PubMed

Tsiper, E V

2006-08-18

The concept of fractional charge is central to the theory of the fractional quantum Hall effect. Here I use exact diagonalization as well as configuration space renormalization to study finite clusters which are large enough to contain two independent edges. I analyze the conditions of resonant tunneling between the two edges. The "computer experiment" reveals a periodic sequence of resonant tunneling events consistent with the experimentally observed fractional quantization of electric charge in units of e/3 and e/5.

Simulation of self-assembly of polyzwitterions into vesicles

DOE PAGES

Mahalik, Jyoti P.; Muthukumar, Murugappan

2016-08-19

Using the Langevin dynamics method and a coarse-grained model, we have researched the formation of vesicles by hydrophobic polymers consisting of periodically placed zwitterion side groups in dilute salt-free aqueous solutions. The zwitterions, being permanent charge dipoles, provide long-range electrostatic correlations which are interfered by the conformational entropy of the polymer. Our simulations are geared towards gaining conceptual understanding in these correlated dipolar systems, where theoretical calculations are at present formidable. A competition between hydrophobic interactions and dipole-dipole interactions leads to a series of self-assembled structures. As the spacing d between the successive zwitterion side groups decreases, single chains undergomore » globule → disk → worm-like structures. We have calculated the Flory-Huggins χ parameter for these systems in terms of d and monitored the radius of gyration, hydrodynamic radius, spatial correlations among hydrophobic and dipole monomers, and dipole-dipole orientational correlation functions. During the subsequent stages of self-assembly, these structures lead to larger globules and vesicles as d is decreased up to a threshold value, below which no large scale morphology forms. Finally the vesicles form via a polynucleation mechanism whereby disk-like structures form first, followed by their subsequent merger.« less

Generating multi-GeV electron bunches using single stage laser wakefield acceleration in a 3D nonlinear regime

NASA Astrophysics Data System (ADS)

Lu, W.; Tzoufras, M.; Joshi, C.; Tsung, F. S.; Mori, W. B.; Vieira, J.; Fonseca, R. A.; Silva, L. O.

2007-06-01

The extraordinary ability of space-charge waves in plasmas to accelerate charged particles at gradients that are orders of magnitude greater than in current accelerators has been well documented. We develop a phenomenological framework for laser wakefield acceleration (LWFA) in the 3D nonlinear regime, in which the plasma electrons are expelled by the radiation pressure of a short pulse laser, leading to nearly complete blowout. Our theory provides a recipe for designing a LWFA for given laser and plasma parameters and estimates the number and the energy of the accelerated electrons whether self-injected or externally injected. These formulas apply for self-guided as well as externally guided pulses (e.g. by plasma channels). We demonstrate our results by presenting a sample particle-in-cell (PIC) simulation of a 30fs, 200 TW laser interacting with a 0.75 cm long plasma with density 1.5×1018cm-3 to produce an ultrashort (10 fs) monoenergetic bunch of self-injected electrons at 1.5 GeV with 0.3 nC of charge. For future higher-energy accelerator applications, we propose a parameter space, which is distinct from that described by Gordienko and Pukhov [Phys. Plasmas 12, 043109 (2005)PHPAEN1070-664X10.1063/1.1884126] in that it involves lower plasma densities and wider spot sizes while keeping the intensity relatively constant. We find that this helps increase the output electron beam energy while keeping the efficiency high.

Analytical model of a corona discharge from a conical electrode under saturation

NASA Astrophysics Data System (ADS)

Boltachev, G. Sh.; Zubarev, N. M.

2012-11-01

Exact partial solutions are found for the electric field distribution in the outer region of a stationary unipolar corona discharge from an ideal conical needle in the space-charge-limited current mode with allowance for the electric field dependence of the ion mobility. It is assumed that only the very tip of the cone is responsible for the discharge, i.e., that the ionization zone is a point. The solutions are obtained by joining the spherically symmetric potential distribution in the drift space and the self-similar potential distribution in the space-charge-free region. Such solutions are outside the framework of the conventional Deutsch approximation, according to which the space charge insignificantly influences the shape of equipotential surfaces and electric lines of force. The dependence is derived of the corona discharge saturation current on the apex angle of the conical electrode and applied potential difference. A simple analytical model is suggested that describes drift in the point-plane electrode geometry under saturation as a superposition of two exact solutions for the field potential. In terms of this model, the angular distribution of the current density over the massive plane electrode is derived, which agrees well with Warburg's empirical law.

Ewald Electrostatics for Mixtures of Point and Continuous Line Charges.

PubMed

Antila, Hanne S; Tassel, Paul R Van; Sammalkorpi, Maria

2015-10-15

Many charged macro- or supramolecular systems, such as DNA, are approximately rod-shaped and, to the lowest order, may be treated as continuous line charges. However, the standard method used to calculate electrostatics in molecular simulation, the Ewald summation, is designed to treat systems of point charges. We extend the Ewald concept to a hybrid system containing both point charges and continuous line charges. We find the calculated force between a point charge and (i) a continuous line charge and (ii) a discrete line charge consisting of uniformly spaced point charges to be numerically equivalent when the separation greatly exceeds the discretization length. At shorter separations, discretization induces deviations in the force and energy, and point charge-point charge correlation effects. Because significant computational savings are also possible, the continuous line charge Ewald method presented here offers the possibility of accurate and efficient electrostatic calculations.

The plastic scintillator detector calibration circuit for DAMPE

NASA Astrophysics Data System (ADS)

Yang, Haibo; Kong, Jie; Zhao, Hongyun; Su, Hong

2016-07-01

The Dark Matter Particle Explorer (DAMPE) is being constructed as a scientific satellite to observe high energy cosmic rays in space. Plastic scintillator detector array (PSD), developed by Institute of Modern Physics, Chinese Academy of Sciences (IMPCAS), is one of the most important parts in the payload of DAMPE which is mainly used for the study of dark matter. As an anti-coincidence detector, and a charged-particle identification detector, the PSD has a total of 360 electronic readout channels, which are distributed at four sides of PSD using four identical front end electronics (FEE). Each FEE reads out 90 charge signals output by the detector. A special calibration circuit is designed in FEE. FPGA is used for on-line control, enabling the calibration circuit to generate the pulse signal with known charge. The generated signal is then sent to the FEE for calibration and self-test. This circuit mainly consists of DAC, operation amplifier, analog switch, capacitance and resistance. By using controllable step pulse, the charge can be coupled to the charge measuring chip using the small capacitance. In order to fulfill the system's objective of large dynamic range, the FEE is required to have good linearity. Thus, the charge-controllable signal is needed to do sweep test on all channels in order to obtain the non-linear parameters for off-line correction. On the other hand, the FEE will run on the satellite for three years. The changes of the operational environment and the aging of devices will lead to parameter variation of the FEE, highlighting the need for regular calibration. The calibration signal generation circuit also has a compact structure and the ability to work normally, with the PSD system's voltage resolution being higher than 0.6%.

A universal self-charging system driven by random biomechanical energy for sustainable operation of mobile electronics

NASA Astrophysics Data System (ADS)

Niu, Simiao; Wang, Xiaofeng; Yi, Fang; Zhou, Yu Sheng; Wang, Zhong Lin

2015-12-01

Human biomechanical energy is characterized by fluctuating amplitudes and variable low frequency, and an effective utilization of such energy cannot be achieved by classical energy-harvesting technologies. Here we report a high-efficient self-charging power system for sustainable operation of mobile electronics exploiting exclusively human biomechanical energy, which consists of a high-output triboelectric nanogenerator, a power management circuit to convert the random a.c. energy to d.c. electricity at 60% efficiency, and an energy storage device. With palm tapping as the only energy source, this power unit provides a continuous d.c. electricity of 1.044 mW (7.34 W m-3) in a regulated and managed manner. This self-charging unit can be universally applied as a standard `infinite-lifetime' power source for continuously driving numerous conventional electronics, such as thermometers, electrocardiograph system, pedometers, wearable watches, scientific calculators and wireless radio-frequency communication system, which indicates the immediate and broad applications in personal sensor systems and internet of things.

A universal self-charging system driven by random biomechanical energy for sustainable operation of mobile electronics.

PubMed

Niu, Simiao; Wang, Xiaofeng; Yi, Fang; Zhou, Yu Sheng; Wang, Zhong Lin

2015-12-11

Human biomechanical energy is characterized by fluctuating amplitudes and variable low frequency, and an effective utilization of such energy cannot be achieved by classical energy-harvesting technologies. Here we report a high-efficient self-charging power system for sustainable operation of mobile electronics exploiting exclusively human biomechanical energy, which consists of a high-output triboelectric nanogenerator, a power management circuit to convert the random a.c. energy to d.c. electricity at 60% efficiency, and an energy storage device. With palm tapping as the only energy source, this power unit provides a continuous d.c. electricity of 1.044 mW (7.34 W m(-3)) in a regulated and managed manner. This self-charging unit can be universally applied as a standard 'infinite-lifetime' power source for continuously driving numerous conventional electronics, such as thermometers, electrocardiograph system, pedometers, wearable watches, scientific calculators and wireless radio-frequency communication system, which indicates the immediate and broad applications in personal sensor systems and internet of things.

Two-loop self-energy in the Lamb shift of the ground and excited states of hydrogenlike ions

NASA Astrophysics Data System (ADS)

Yerokhin, V. A.

2018-05-01

The two-loop self-energy correction to the Lamb shift of hydrogenlike ions is calculated for the 1 s , 2 s , and 2 p1 /2 states and nuclear charge numbers Z =30 -100 . The calculation is performed to all orders in the nuclear binding strength parameter Z α . As compared to previous calculations of this correction, numerical accuracy is improved by an order of magnitude and the region of the nuclear charges is extended. An analysis of the Z dependence of the obtained results demonstrates their consistency with the known Z α -expansion coefficients.

Fourier transform-based scattering-rate method for self-consistent simulations of carrier transport in semiconductor heterostructures

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

Schrottke, L., E-mail: lutz@pdi-berlin.de; Lü, X.; Grahn, H. T.

We present a self-consistent model for carrier transport in periodic semiconductor heterostructures completely formulated in the Fourier domain. In addition to the Hamiltonian for the layer system, all expressions for the scattering rates, the applied electric field, and the carrier distribution are treated in reciprocal space. In particular, for slowly converging cases of the self-consistent solution of the Schrödinger and Poisson equations, numerous transformations between real and reciprocal space during the iterations can be avoided by using the presented method, which results in a significant reduction of computation time. Therefore, it is a promising tool for the simulation and efficientmore » design of complex heterostructures such as terahertz quantum-cascade lasers.« less

Compact Q-balls and Q-shells in a scalar electrodynamics

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

Arodz, H.; Lis, J.

2009-02-15

We investigate spherically symmetric nontopological solitons in electrodynamics with a scalar field self-interaction U{approx}|{psi}| taken from the complex signum-Gordon model. We find Q-balls for small absolute values of the total electric charge Q, and Q-shells when |Q| is large enough. In both cases the charge density exactly vanishes outside certain compact regions in the three-dimensional space. The dependence of the total energy E of small Q-balls on the total electric charge has the form E{approx}|Q|{sup 5/6}, while in the case of very large Q-shells, E{approx}|Q|{sup 7/6}.

Inertia-Centric Stability Analysis of a Planar Uniform Dust Molecular Cloud with Weak Neutral-Charged Dust Frictional Coupling

NASA Astrophysics Data System (ADS)

K. Karmakar, P.; Borah, B.

2014-05-01

This paper adopts an inertia-centric evolutionary model to study the excitation mechanism of new gravito-electrostatic eigenmode structures in a one-dimensional (1-D) planar self-gravitating dust molecular cloud (DMC) on the Jeans scale. A quasi-neutral multi-fluid consisting of warm electrons, warm ions, neutral gas and identical inertial cold dust grains with partial ionization is considered. The grain-charge is assumed not to vary at the fluctuation evolution time scale. The neutral gas particles form the background, which is weakly coupled with the collapsing grainy plasma mass. The gravitational decoupling of the background neutral particles is justifiable for a higher inertial mass of the grains with higher neutral population density so that the Jeans mode frequency becomes reasonably large. Its physical basis is the Jeans assumption of a self-gravitating uniform medium adopted for fiducially analytical simplification by neglecting the zero-order field. So, the equilibrium is justifiably treated initially as “homogeneous”. The efficacious inertial role of the thermal species amidst weak collisions of the neutral-charged grains is taken into account. A standard multiscale technique over the gravito-electrostatic equilibrium yields a unique pair of Korteweg-de Vries (KdV) equations. It is integrated numerically by the fourth-order Runge-Kutta method with multi-parameter variation for exact shape analyses. Interestingly, the model is conducive for the propagation of new conservative solitary spectral patterns. Their basic physics, parametric features and unique characteristics are discussed. The results go qualitatively in good correspondence with the earlier observations made by others. Tentative applications relevant to space and astrophysical environments are concisely highlighted.

Numerical investigation of dielectric barrier discharges

NASA Astrophysics Data System (ADS)

Li, Jing

1997-12-01

A dielectric barrier discharge (DBD) is a transient discharge occurring between two electrodes in coaxial or planar arrangements separated by one or two layers of dielectric material. The charge accumulated on the dielectric barrier generates a field in a direction opposite to the applied field. The discharge is quenched before an arc is formed. It is one of the few non-thermal discharges that operates at atmospheric pressure and has the potential for use in pollution control. In this work, a numerical model of the dielectric barrier discharge is developed, along with the numerical approach. Adaptive grids based on the charge distribution is used. A self-consistent method is used to solve for the electric field and charge densities. The Successive Overrelaxation (SOR) method in a non-uniform grid spacing is used to solve the Poisson's equation in the cylindrically-symmetric coordinate. The Flux Corrected Transport (FCT) method is modified to solve the continuity equations in the non-uniform grid spacing. Parametric studies of dielectric barrier discharges are conducted. General characteristics of dielectric barrier discharges in both anode-directed and cathode-directed streamer are studied. Effects of the dielectric capacitance, the applied field, the resistance in external circuit and the type of gases (O2, air, N2) are investigated. We conclude that the SOR method in an adaptive grid spacing for the solution of the Poisson's equation in the cylindrically-symmetric coordinate is convergent and effective. The dielectric capacitance has little effect on the g-factor of radical production, but it determines the strength of the dielectric barrier discharge. The applied field and the type of gases used have a significant role on the current peak, current pulse duration and radical generation efficiency, discharge strength, and microstreamer radius, whereas the external series resistance has very little effect on the streamer properties. The results are helpful in further understanding the ozone generation and pollution control process in a dielectric barrier discharge.

Acceleration of ions and neutrals by a traveling electrostatic wave

NASA Astrophysics Data System (ADS)

Lee, K. H.; Lee, L. C.; Wong, A. Y.

2018-02-01

We propose a new scheme for accelerating a weakly ionized gas by externally imposing a sinusoidal electrostatic (ES) potential in a tubular system. The weakly ionized gas consists of three fluid components: neutral hydrogen fluid ( H ), positively charged fluid ( H + ), and negatively charged fluids ( H - and/or e - ), as an example. The sinusoidal ES potential is imposed on a series of conductive meshes in the tubular system, and its phase varies with time and space to mimic a traveling ES wave. The charged fluids are trapped and accelerated by the sinusoidal ES potential, while the neutral fluid is accelerated through neutral-ion collisions. The neutral fluid can be accelerated to the wave phase velocity in a few neutral-ion collision times. The whole device remains charge-neutral, and there is no build-up of space charge. The acceleration scheme can be applied to, for example, the propulsion of glider in the air, partially ionized plasma in a chamber, spacecraft, and wind tunnel.

Solvent effects in time-dependent self-consistent field methods. I. Optical response calculations

DOE PAGES

Bjorgaard, J. A.; Kuzmenko, V.; Velizhanin, K. A.; ...

2015-01-22

In this study, we implement and examine three excited state solvent models in time-dependent self-consistent field methods using a consistent formalism which unambiguously shows their relationship. These are the linear response, state specific, and vertical excitation solvent models. Their effects on energies calculated with the equivalent of COSMO/CIS/AM1 are given for a set of test molecules with varying excited state charge transfer character. The resulting solvent effects are explained qualitatively using a dipole approximation. It is shown that the fundamental differences between these solvent models are reflected by the character of the calculated excitations.

An Inverse Square Law Variation for Hubble's Constant

NASA Astrophysics Data System (ADS)

Day, Orville W., Jr.

1999-11-01

The solution to Einstein's gravitational field equations is examined, using a Robertson-Walker metric with positive curvature, when Hubble's parameter, H_0, is taken to be a constant divided by R^2. R is the cosmic scale factor for the universe treated as a three-dimensional hypersphere in a four-dimensional Euclidean space. This solution produces a self-energy of the universe, W^(0)_self, proportional to the square of the total mass, times the universal gravitational constant divided by the cosmic scale factor, R. This result is totally analogous to the self-energy of the electromagnetic field of a charged particle, W^(0)_self = ke^2/2r, where the total charge e is squared, k is the universal electric constant and r is the scale factor, usually identified as the radius of the particle. It is shown that this choice for H0 leads to physically meaningful results for the average mass density and pressure, and a deacceleration parameter q_0=1.

How to construct self/anti-self charge conjugate states for higher spins

NASA Astrophysics Data System (ADS)

Dvoeglazov, Valeriy V.

2012-10-01

We construct self/anti-self charge conjugate (Majorana-like) states for the (1/2,0)⊕(0,1/2) representation of the Lorentz group, and their analogs for higher spins within the quantum field theory. The problem of the basis rotations and that of the selection of phases in the Diraclike and Majorana-like field operators are considered. The discrete symmetries properties (P, C, T) are studied. The corresponding dynamical equations are presented. In the (1/2,0)⊕(0,1/2) representation they obey the Dirac-like equation with eight components, which has been first introduced by Markov. Thus, the Fock space for corresponding quantum fields is doubled (as shown by Ziino). The particular attention has been paid to the questions of chirality and helicity (two concepts which are frequently confused in the literature) for Dirac and Majorana states. We further review several experimental consequences which follow from the previous works of M. Kirchbach et al. on neutrinoless double beta decay, and G.J.Ni et al. on meson lifetimes.

How to construct self/anti-self charge conjugate states?

NASA Astrophysics Data System (ADS)

Dvoeglazov, V. V.

2014-03-01

We construct self/anti-self charge conjugate (Majorana-like) states for the (1/2, 0)⊕(0, 1/2) representation of the Lorentz group, and their analogs for higher spins within the quantum field theory. The problem of the basis rotations and that of the selection of phases in the Dirac-like and Majorana-like field operators are considered. The discrete symmetries properties (P, C, T) are studied. The corresponding dynamical equations are presented. In the (1/2, 0) ⊕ (0, 1/2) representation they obey the Dirac-like equation with eight components, which has been first introduced by Markov. Thus, the Fock space for corresponding quantum fields is doubled (as shown by Ziino). The particular attention has been paid to the questions of chirality and helicity (two concepts which are frequently confused in the literature) for Dirac and Majorana states. We further review several experimental consequences which follow from the previous works of M. Kirchbach et al. on neutrinoless double beta decay, and G. J. Ni et al. on meson lifetimes.

Charge Density Waves and the Hidden Nesting of Purple Bronze KMo6O17

NASA Astrophysics Data System (ADS)

Su, Lei; Pereira, Vitor

The layered purple bronze KMo6O17, with its robust triple CDW phase up to high temperatures, became the emblematic example of the ''hidden nesting'' concept. Recent experiments suggest that, on the surface layers, its CDW phase can be stabilized at much higher temperatures, and with a tenfold increase in the electronic gap in comparison with the bulk. Despite such interesting fermiology and properties, the K and Na purple bronzes remain largely unexplored systems, most particularly so at the theoretical level. We introduce the first multi-orbital effective tight-binding model to describe the effect of electron-electron interactions in this system. Upon fixing all the effective hopping parameters in the normal state against an ab-initio band structure, and with only the overall scale of the interactions as sole adjustable parameter, we find that a self-consistent Hartree-Fock solution reproduces extremely well the experimental behavior of the charge density wave (CDW) order parameter in the full range 0 < T < Tc , as well as the precise reciprocal space locations of the partial gap opening and Fermi arc development. The interaction strengths extracted from fitting to the experimental CDW gap are consistent with those derived from an independent Stoner-type analysis This work was supported by the Singapore National Research Foundation under Grant NRF-CRP6-2010-05.

Observation of self-excited acoustic vortices in defect-mediated dust acoustic wave turbulence.

PubMed

Tsai, Ya-Yi; I, Lin

2014-07-01

Using the self-excited dust acoustic wave as a platform, we demonstrate experimental observation of self-excited fluctuating acoustic vortex pairs with ± 1 topological charges through spontaneous waveform undulation in defect-mediated turbulence for three-dimensional traveling nonlinear longitudinal waves. The acoustic vortex pair has helical waveforms with opposite chirality around the low-density hole filament pair in xyt space (the xy plane is the plane normal to the wave propagation direction). It is generated through ruptures of sequential crest surfaces and reconnections with their trailing ruptured crest surfaces. The initial rupture is originated from the amplitude reduction induced by the formation of the kinked wave crest strip with strong stretching through the undulation instability. Increasing rupture causes the separation of the acoustic vortex pair after generation. A similar reverse process is followed for the acoustic vortex annihilating with the opposite-charged acoustic vortex from the same or another pair generation.

A splitting scheme based on the space-time CE/SE method for solving multi-dimensional hydrodynamical models of semiconductor devices

NASA Astrophysics Data System (ADS)

Nisar, Ubaid Ahmed; Ashraf, Waqas; Qamar, Shamsul

2016-08-01

Numerical solutions of the hydrodynamical model of semiconductor devices are presented in one and two-space dimension. The model describes the charge transport in semiconductor devices. Mathematically, the models can be written as a convection-diffusion type system with a right hand side describing the relaxation effects and interaction with a self consistent electric field. The proposed numerical scheme is a splitting scheme based on the conservation element and solution element (CE/SE) method for hyperbolic step, and a semi-implicit scheme for the relaxation step. The numerical results of the suggested scheme are compared with the splitting scheme based on Nessyahu-Tadmor (NT) central scheme for convection step and the same semi-implicit scheme for the relaxation step. The effects of various parameters such as low field mobility, device length, lattice temperature and voltages for one-space dimensional hydrodynamic model are explored to further validate the generic applicability of the CE/SE method for the current model equations. A two dimensional simulation is also performed by CE/SE method for a MESFET device, producing results in good agreement with those obtained by NT-central scheme.

Calculation of the spin-polarized electronic structure of an interstitial iron impurity in silicon

NASA Astrophysics Data System (ADS)

Katayama-Yoshida, H.; Zunger, Alex

1985-06-01

We apply our self-consistent, all-electron, spin-polarized Green's-function method within an impurity-centered, dynamic basis set to study the interstitial iron impurity in silicon. We use two different formulations of the interelectron interactions: the local-spin-density (LSD) formalism and the self-interaction-corrected (SIC) local-spin-density (SIC-LSD) formalism. We find that the SIC-LSD approach is needed to obtain the correct high-spin ground state of Si:Fe+. We propose a quantitative explanation to the observed donor ionization energy and the high-spin ground states for Si:Fe+ within the SIC-LSD approach. For both Si:Fe0 and Si:Fe+, this approach leads to a hyperfine field, contact spin density, and ionization energy in better agreement with experiments than the simple LSD approach. The apparent dichotomy between the covalently delocalized nature of Si:Fe as suggested on the one hand by its reduced hyperfine field (relative to the free atom) and extended spin density and by the occurrence of two closely spaced, stable charge states (within 0.4 eV) and on the other hand by the atomically localized picture (suggested, for example, by the stability of a high-spin, ground-state configuration) is resolved. We find a large reduction in the hyperfine field and contact spin density due to the covalent hybridization between the impurity 3d orbitals and the tails of the delocalized sp3 hybrid orbitals of the surrounding silicon atoms. Using the calculated results, we discuss (i) the underlying mechanism for the stability and plurality of charged states, (ii) the covalent reduction in the hyperfine field, (iii) the remarkable constancy of the impurity Mössbauer isomer shift for different charged states, (iv) comparison with the multiple charged states in ionic crystals, and (v) some related speculation about the mechanism of (Fe2+/Fe3+) oxidation-reduction ionizations in heme proteins and electron-transporting biological systems.

Pattern formation in triboelectrically charged binary packings

NASA Astrophysics Data System (ADS)

Schella, Andre; Vincent, Thomas; Herminghaus, Stephan; Schröter, Matthias

2015-11-01

Electrostatic self-assembly is an interesting route to aim at creating well-defined microstructures. In this spirit, we study the process of self-assembling for vertically shaken granular materials. Our system consists from 1 to 400 plastic beads of 3mm size made from Teflon and Nylon in 2D and 3D geometries. We find self-organization in four, five and sixfold order which is due to charging of the system via triboelectric effects between the grains. We observe that the binary system solidifies on a time scale of a few minutes. Image processing is used to extract the structural and dynamical properties of the assemblies. The mixture ratio is tuned from 1:5 to 5:1 and the humidity level is varied between 10% and 90% leading to various transitions between the morphologies.

Self-confinement of finite dust clusters in isotropic plasmas.

PubMed

Miloshevsky, G V; Hassanein, A

2012-05-01

Finite two-dimensional dust clusters are systems of a small number of charged grains. The self-confinement of dust clusters in isotropic plasmas is studied using the particle-in-cell method. The energetically favorable configurations of grains in plasma are found that are due to the kinetic effects of plasma ions and electrons. The self-confinement phenomenon is attributed to the change in the plasma composition within a dust cluster resulting in grain attraction mediated by plasma ions. This is a self-consistent state of a dust cluster in which grain's repulsion is compensated by the reduced charge and floating potential on grains, overlapped ion clouds, and depleted electrons within a cluster. The common potential well is formed trapping dust clusters in the confined state. These results provide both valuable insights and a different perspective to the classical view on the formation of boundary-free dust clusters in isotropic plasmas.

Real-space mapping of the strongly coupled plasmons of nanoparticle dimers.

PubMed

Kim, Deok-Soo; Heo, Jinhwa; Ahn, Sung-Hyun; Han, Sang Woo; Yun, Wan Soo; Kim, Zee Hwan

2009-10-01

We carried out the near-field optical imaging of isolated and dimerized gold nanocubes to directly investigate the strong coupling between two adjacent nanoparticles. The high-resolution (approximately 10 nm) local field maps (intensities and phases) of self-assembled nanocube dimers reveal antisymmetric plasmon modes that are starkly different from a simple superposition of two monomeric dipole plasmons, which is fully reproduced by the electrodynamics simulations. The result decisively proves that, for the closely spaced pair of nanoparticles (interparticle distance/particle size approximately 0.04), the strong Coulombic attraction between the charges at the interparticle gap dominates over the intraparticle charge oscillations, resulting in a hybridized dimer plasmon mode that is qualitatively different from those expected from a simple dipole-dipole coupling model.

Electrostatically Driven Assembly of Charged Amphiphiles Forming Crystallized Membranes, Vesicles and Nanofiber Arrays

NASA Astrophysics Data System (ADS)

Leung, Cheuk Yui Curtis

Charged amphiphilic molecules can self-assemble into a large variety of objects including membranes, vesicles and fibers. These micro to nano-scale structures have been drawing increasing attention due to their broad applications, especially in biotechnology and biomedicine. In this dissertation, three self-assembled systems were investigated: +3/-1 self-assembled catanionic membranes, +2/-1 self-assembled catanionic membranes and +1 self-assembled nanofibers. Transmission electron microscopy (TEM) combined with synchrotron small and wide angle x-ray scattering (SAXS and WAXS) were used to characterize the coassembled structures from the mesoscopic to nanometer scale. We designed a system of +3 and -1 ionic amphiphiles that coassemble into crystalline ionic bilayer vesicles with large variety of geometries that resemble polyhedral cellular crystalline shells and archaea wall envelopes. The degree of ionization of the amphiphiles and their intermolecular electrostatic interactions can be controlled by varying pH. The molecular packing of these membranes showed a hexagonal to rectangular-C to hexagonal phase transition with increasing pH, resulting in significant changes to the membrane morphology. A similar mixture of +2 and -1 ionic amphiphiles was also investigated. In addition to varying pH, which controls the headgroup attractions, we also adjust the tail length of the amphiphiles to control the van der Waals interactions between the tails. A 2D phase diagram was developed to show how pH and tail length can be used to control the intermolecular packing within the membranes. Another system of self-assembled nanofiber network formed by positively charged amphiphiles was also studied. These highly charged fibers repel each other and are packed in hexagonal lattice with lattice constant at least eight times of the fiber diameter. The d-spacing and the crystal structure can be controlled by varying the solution concentration and temperature.

Ground-state energies and charge radii of medium-mass nuclei in the unitary-model-operator approach

NASA Astrophysics Data System (ADS)

Miyagi, Takayuki; Abe, Takashi; Okamoto, Ryoji; Otsuka, Takaharu

2014-09-01

In nuclear structure theory, one of the most fundamental problems is to understand the nuclear structure based on nuclear forces. This attempt has been enabled due to the progress of the computational power and nuclear many-body approaches. However, it is difficult to apply the first-principle methods to medium-mass region, because calculations demand the huge model space as increasing the number of nucleons. The unitary-model-operator approach (UMOA) is one of the methods which can be applied to medium-mass nuclei. The essential point of the UMOA is to construct the effective Hamiltonian which does not induce the two-particle-two-hole excitations. A many-body problem is reduced to the two-body subsystem problem in an entire many-body system with the two-body effective interaction and one-body potential determined self-consistently. In this presentation, we will report the numerical results of ground-state energies and charge radii of 16O, 40Ca, and 56Ni in the UMOA, and discuss the saturation property by comparing our results with those in the other many-body methods and also experimental data. In nuclear structure theory, one of the most fundamental problems is to understand the nuclear structure based on nuclear forces. This attempt has been enabled due to the progress of the computational power and nuclear many-body approaches. However, it is difficult to apply the first-principle methods to medium-mass region, because calculations demand the huge model space as increasing the number of nucleons. The unitary-model-operator approach (UMOA) is one of the methods which can be applied to medium-mass nuclei. The essential point of the UMOA is to construct the effective Hamiltonian which does not induce the two-particle-two-hole excitations. A many-body problem is reduced to the two-body subsystem problem in an entire many-body system with the two-body effective interaction and one-body potential determined self-consistently. In this presentation, we will report the numerical results of ground-state energies and charge radii of 16O, 40Ca, and 56Ni in the UMOA, and discuss the saturation property by comparing our results with those in the other many-body methods and also experimental data. The part of numerical calculation has been done on the NEC SX8R at RCNP, Osaka University. This work was supported in part by MEXT SPIRE and JICFuS. It was also supported in part by the Program in part for Leading Graduate Schools, MEXT, Japan.

Dynamic self-assembly of charged colloidal strings and walls in simple fluid flows.

PubMed

Abe, Yu; Zhang, Bo; Gordillo, Leonardo; Karim, Alireza Mohammad; Francis, Lorraine F; Cheng, Xiang

2017-02-22

Colloidal particles can self-assemble into various ordered structures in fluid flows that have potential applications in biomedicine, materials synthesis and encryption. These dynamic processes are also of fundamental interest for probing the general principles of self-assembly under non-equilibrium conditions. Here, we report a simple microfluidic experiment, where charged colloidal particles self-assemble into flow-aligned 1D strings with regular particle spacing near a solid boundary. Using high-speed confocal microscopy, we systematically investigate the influence of flow rates, electrostatics and particle polydispersity on the observed string structures. By studying the detailed dynamics of stable flow-driven particle pairs, we quantitatively characterize interparticle interactions. Based on the results, we construct a simple model that explains the intriguing non-equilibrium self-assembly process. Our study shows that the colloidal strings arise from a delicate balance between attractive hydrodynamic coupling and repulsive electrostatic interaction between particles. Finally, we demonstrate that, with the assistance of transverse electric fields, a similar mechanism also leads to the formation of 2D colloidal walls.

Longitudinal Waves Drive the Solar Cycle

NASA Astrophysics Data System (ADS)

Wagner, Orvin

2000-05-01

In Physics Essays 12: 3-10 I explain the placement of the planets in terms of low velocity waves emitted by the sun. Evidence for the wave pulse generated near the center of the sun is indicated by the initial high latitude sunspots observed on the butterfly diagram. The wave pulse carries charge with it as observed for similar waves in plants (W-waves). For the first half cycle negative charge is carried to the surface of the sun where much of the wave pulse radiates a wave crest into space while the charge slowly redistributes itself. Meanwhile the next wave pulse carrying excess positive charge moves outward. Rotating charge determines the polarity of the sun's magnetic poles so they reverse as the pulse moves outward. The wave pulse, which interacts strongly with force fields, is guided by centripetal force and gravity so that the pulse comes out near the sun's equator. W-waves produce an automatic return wave in the vacuum so that standing waves are produced in the space around the sun providing a template for the formation and stabilization planets. W-waves are hypothesized to provide self organization for both the universe and life. See the

An Energy- and Charge-conserving, Implicit, Electrostatic Particle-in-Cell Algorithm in curvilinear geometry

NASA Astrophysics Data System (ADS)

Chen, G.; Chacón, L.; Barnes, D. C.

2012-03-01

A recent proof-of-principle study proposes an energy- and charge-conserving, fully implicit particle-in-cell algorithm in one dimension [1], which is able to use timesteps comparable to the dynamical timescale of interest. Here, we generalize the method to employ non-uniform meshes via a curvilinear map. The key enabling technology is a hybrid particle pusher [2], with particle positions updated in logical space and particle velocities updated in physical space. The self-adaptive, charge-conserving particle mover of Ref. [1] is extended to the non-uniform mesh case. The fully implicit implementation, using a Jacobian-free Newton-Krylov iterative solver, remains exactly charge- and energy-conserving. The extension of the formulation to multiple dimensions will be discussed. We present numerical experiments of 1D electrostatic, long-timescale ion-acoustic wave and ion-acoustic shock wave simulations, demonstrating that charge and energy are conserved to round-off for arbitrary mesh non-uniformity, and that the total momentum remains well conserved.[4pt] [1] Chen, Chac'on, Barnes, J. Comput. Phys. 230 (2011). [0pt] [2] Camporeale and Delzanno, Bull. Am. Phys. Soc. 56(6) (2011); Wang, et al., J. Plasma Physics, 61 (1999).

On the ultrafast charge migration and subsequent charge directed reactivity in Cl⋯N halogen-bonded clusters following vertical ionization

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

Chandra, Sankhabrata; Bhattacharya, Atanu, E-mail: atanub@ipc.iisc.ernet.in; Periyasamy, Ganga

2015-06-28

In this article, we have presented ultrafast charge transfer dynamics through halogen bonds following vertical ionization of representative halogen bonded clusters. Subsequent hole directed reactivity of the radical cations of halogen bonded clusters is also discussed. Furthermore, we have examined effect of the halogen bond strength on the electron-electron correlation- and relaxation-driven charge migration in halogen bonded complexes. For this study, we have selected A-Cl (A represents F, OH, CN, NH{sub 2}, CF{sub 3}, and COOH substituents) molecules paired with NH{sub 3} (referred as ACl:NH{sub 3} complex): these complexes exhibit halogen bonds. To the best of our knowledge, this ismore » the first report on purely electron correlation- and relaxation-driven ultrafast (attosecond) charge migration dynamics through halogen bonds. Both density functional theory and complete active space self-consistent field theory with 6-31 + G(d, p) basis set are employed for this work. Upon vertical ionization of NCCl⋯NH{sub 3} complex, the hole is predicted to migrate from the NH{sub 3}-end to the ClCN-end of the NCCl⋯NH{sub 3} complex in approximately 0.5 fs on the D{sub 0} cationic surface. This hole migration leads to structural rearrangement of the halogen bonded complex, yielding hydrogen bonding interaction stronger than the halogen bonding interaction on the same cationic surface. Other halogen bonded complexes, such as H{sub 2}NCl:NH{sub 3}, F{sub 3}CCl:NH{sub 3}, and HOOCCl:NH{sub 3}, exhibit similar charge migration following vertical ionization. On the contrary, FCl:NH{sub 3} and HOCl:NH{sub 3} complexes do not exhibit any charge migration following vertical ionization to the D{sub 0} cation state, pointing to interesting halogen bond strength-dependent charge migration.« less

Trapping effect of metal nanoparticle mono- and multilayer in the organic field-effect transistor

NASA Astrophysics Data System (ADS)

Lee, Keanchuan; Weis, Martin; Lin, Jack; Taguchi, Dai; Majková, Eva; Manaka, Takaaki; Iwamoto, Mitsumasa

2011-03-01

The effect of silver nanoparticles self-assembled monolayer (Ag NPs SAM) on charge transport in pentacene organic field-effect transistors (OFET) was investigated by both steady-state and transient-state methods, which are current-voltage measurements in steady-state and time-resolved microscopic (TRM) second harmonic generation (SHG) in transient-state, respectively. The analysis of electronic properties revealed that OFET with SAM exhibited significant charge trapping effect due to the space-charge field formed by immobile charges. Lower transient-state mobility was verified by the direct probing of carrier motion by TRM-SHG technique. It was shown that the trapping effect rises together with increase of SAM layers suggesting the presence of traps in the bulk of NP films. The model based on the electrostatic charge barrier is suggested to explain the phenomenon.

A molecularly based theory for electron transfer reorganization energy.

PubMed

Zhuang, Bilin; Wang, Zhen-Gang

2015-12-14

Using field-theoretic techniques, we develop a molecularly based dipolar self-consistent-field theory (DSCFT) for charge solvation in pure solvents under equilibrium and nonequilibrium conditions and apply it to the reorganization energy of electron transfer reactions. The DSCFT uses a set of molecular parameters, such as the solvent molecule's permanent dipole moment and polarizability, thus avoiding approximations that are inherent in treating the solvent as a linear dielectric medium. A simple, analytical expression for the free energy is obtained in terms of the equilibrium and nonequilibrium electrostatic potential profiles and electric susceptibilities, which are obtained by solving a set of self-consistent equations. With no adjustable parameters, the DSCFT predicts activation energies and reorganization energies in good agreement with previous experiments and calculations for the electron transfer between metallic ions. Because the DSCFT is able to describe the properties of the solvent in the immediate vicinity of the charges, it is unnecessary to distinguish between the inner-sphere and outer-sphere solvent molecules in the calculation of the reorganization energy as in previous work. Furthermore, examining the nonequilibrium free energy surfaces of electron transfer, we find that the nonequilibrium free energy is well approximated by a double parabola for self-exchange reactions, but the curvature of the nonequilibrium free energy surface depends on the charges of the electron-transferring species, contrary to the prediction by the linear dielectric theory.

Make dark matter charged again

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

Agrawal, Prateek; Cyr-Racine, Francis-Yan; Randall, Lisa

2017-05-01

We revisit constraints on dark matter that is charged under a U(1) gauge group in the dark sector, decoupled from Standard Model forces. We find that the strongest constraints in the literature are subject to a number of mitigating factors. For instance, the naive dark matter thermalization timescale in halos is corrected by saturation effects that slow down isotropization for modest ellipticities. The weakened bounds uncover interesting parameter space, making models with weak-scale charged dark matter viable, even with electromagnetic strength interaction. This also leads to the intriguing possibility that dark matter self-interactions within small dwarf galaxies are extremely large,more » a relatively unexplored regime in current simulations. Such strong interactions suppress heat transfer over scales larger than the dark matter mean free path, inducing a dynamical cutoff length scale above which the system appears to have only feeble interactions. These effects must be taken into account to assess the viability of darkly-charged dark matter. Future analyses and measurements should probe a promising region of parameter space for this model.« less

A switchable polymer layer: Chain folding in end-charged polymer brushes

NASA Astrophysics Data System (ADS)

Heine, David; Wu, David T.

2001-03-01

We use a self-consistent field approximation to model the configurations of end-charged homopolymer and block copolymer brushes in response to an external electric field due to charges on the grafting surface. By varying the charge density on the grafting surface, we can cause the chains either to extend outward, greatly increasing the brush height, or to loop back to the grafting surface. We show that such a copolymer brush can present one block at the exposed surface in the extended state and present the other block in the retracted state. This occurs for both a solvated brush and a dry brush. We also compare these results to those of a modified Alexander-de Gennes model for the end-charged homopolymer brush.

Coherent optical transition radiation and self-amplified spontaneous emission generated by chicane-compressed electron beams

NASA Astrophysics Data System (ADS)

Lumpkin, A. H.; Dejus, R. J.; Sereno, N. S.

2009-04-01

Observations of strongly enhanced optical transition radiation (OTR) following significant bunch compression of photoinjector beams by a chicane have been reported during the commissioning of the Linac Coherent Light Source accelerator and recently at the Advanced Photon Source (APS) linac. These localized transverse spatial features involve signal enhancements of nearly a factor of 10 and 100 in the APS case at the 150-MeV and 375-MeV OTR stations, respectively. They are consistent with a coherent process seeded by noise and may be evidence of a longitudinal space charge microbunching instability which leads to coherent OTR emissions. Additionally, we suggest that localized transverse structure in the previous self-amplified spontaneous emission (SASE) free-electron laser (FEL) data at APS in the visible regime as reported at FEL02 may be attributed to such beam structure entering the FEL undulators and inducing the SASE startup at those “prebunched” structures. Separate beam structures 120 microns apart in x and 2.9 nm apart in wavelength were reported. The details of these observations and operational parameters will be presented.

Natural Limits for Currents in Charge Separated Pulsar Magnetospheres

NASA Astrophysics Data System (ADS)

Jessner, A.; Lesch, H.; Kunzl, T.

Rough estimates and upper limits on current and particle densities form the basis of most of the canonical pulsar models. Whereas the surface of the rotating neutron star is capable of supplying sufficient charges to provide a current that, given the polar cap potential, could easily fuel the observed energy loss processes, observational and theoretical constraints provide strict upper limits to the charge densities. The space charge of a current consisting solely of particles having only one sign creates a compensating potential that will make the maximum current dependent on potential and distance. In the non-relativistic case this fact is expressed in the familiar Child-Langmuir law. Its relativistic generalization and subsequent application to the inner pulsar magnetosphere provides clear limits on the strength and radial extension of charged currents originating on the polar cap. Violent Pierce-type oscillations set in, if one attempts to inject more current than the space charge limit into a given volume. These considerations apply wherever there is a significant amount of charged current flow, in particular in the gap regions. There they can be used to derive limits on the size of such gaps and their stability.

Self-similar space-time evolution of an initial density discontinuity

NASA Astrophysics Data System (ADS)

Rekaa, V. L.; Pécseli, H. L.; Trulsen, J. K.

2013-07-01

The space-time evolution of an initial step-like plasma density variation is studied. We give particular attention to formulate the problem in a way that opens for the possibility of realizing the conditions experimentally. After a short transient time interval of the order of the electron plasma period, the solution is self-similar as illustrated by a video where the space-time evolution is reduced to be a function of the ratio x/t. Solutions of this form are usually found for problems without characteristic length and time scales, in our case the quasi-neutral limit. By introducing ion collisions with neutrals into the numerical analysis, we introduce a length scale, the collisional mean free path. We study the breakdown of the self-similarity of the solution as the mean free path is made shorter than the system length. Analytical results are presented for charge exchange collisions, demonstrating a short time collisionless evolution with an ensuing long time diffusive relaxation of the initial perturbation. For large times, we find a diffusion equation as the limiting analytical form for a charge-exchange collisional plasma, with a diffusion coefficient defined as the square of the ion sound speed divided by the (constant) ion collision frequency. The ion-neutral collision frequency acts as a parameter that allows a collisionless result to be obtained in one limit, while the solution of a diffusion equation is recovered in the opposite limit of large collision frequencies.

Excited-state potential-energy surfaces of metal-adsorbed organic molecules from linear expansion Δ-self-consistent field density-functional theory (ΔSCF-DFT).

PubMed

Maurer, Reinhard J; Reuter, Karsten

2013-07-07

Accurate and efficient simulation of excited state properties is an important and much aspired cornerstone in the study of adsorbate dynamics on metal surfaces. To this end, the recently proposed linear expansion Δ-self-consistent field method by Gavnholt et al. [Phys. Rev. B 78, 075441 (2008)] presents an efficient alternative to time consuming quasi-particle calculations. In this method, the standard Kohn-Sham equations of density-functional theory are solved with the constraint of a non-equilibrium occupation in a region of Hilbert-space resembling gas-phase orbitals of the adsorbate. In this work, we discuss the applicability of this method for the excited-state dynamics of metal-surface mounted organic adsorbates, specifically in the context of molecular switching. We present necessary advancements to allow for a consistent quality description of excited-state potential-energy surfaces (PESs), and illustrate the concept with the application to Azobenzene adsorbed on Ag(111) and Au(111) surfaces. We find that the explicit inclusion of substrate electronic states modifies the topologies of intra-molecular excited-state PESs of the molecule due to image charge and hybridization effects. While the molecule in gas phase shows a clear energetic separation of resonances that induce isomerization and backreaction, the surface-adsorbed molecule does not. The concomitant possibly simultaneous induction of both processes would lead to a significantly reduced switching efficiency of such a mechanism.

Ion-atom charge-transfer reactions and a hot intercloud medium. [in interstellar space

NASA Technical Reports Server (NTRS)

Steigman, G.

1975-01-01

An investigation is conducted concerning the ionization equilibrium of carbon in a hot intercloud medium (ICM), taking into account various charge-transfer reactions. Attention is given to problems related to observations of carbon along the lines of sight to several unreddened stars. It is pointed out that the observed underabundance of C III and overabundance of C I can be consistent with the presence of a hot, partially ionized ICM, provided that two of the charge-transfer reactions considered are rapid at thermal energies.

Improved organic thin-film transistor performance using novel self-assembled monolayers

NASA Astrophysics Data System (ADS)

McDowell, M.; Hill, I. G.; McDermott, J. E.; Bernasek, S. L.; Schwartz, J.

2006-02-01

Pentacene-based organic thin-film transistors have been fabricated using a phosphonate-linked anthracene self-assembled monolayer as a buffer between the silicon dioxide gate dielectric and the active pentacene channel region. Vast improvements in the subthreshold slope and threshold voltage are observed compared to control devices fabricated without the buffer. Both observations are consistent with a greatly reduced density of charge trapping states at the semiconductor-dielectric interface effected by introduction of the self-assembled monolayer.

Vibrational multiconfiguration self-consistent field theory: implementation and test calculations.

PubMed

Heislbetz, Sandra; Rauhut, Guntram

2010-03-28

A state-specific vibrational multiconfiguration self-consistent field (VMCSCF) approach based on a multimode expansion of the potential energy surface is presented for the accurate calculation of anharmonic vibrational spectra. As a special case of this general approach vibrational complete active space self-consistent field calculations will be discussed. The latter method shows better convergence than the general VMCSCF approach and must be considered the preferred choice within the multiconfigurational framework. Benchmark calculations are provided for a small set of test molecules.

Femtosecond manipulation of spins, charges, and ions in nanostructures, thin films, and surfaces

PubMed Central

Carbone, F.; Hengsberger, M.; Castiglioni, L.; Osterwalder, J.

2017-01-01

Modern ultrafast techniques provide new insights into the dynamics of ions, charges, and spins in photoexcited nanostructures. In this review, we describe the use of time-resolved electron-based methods to address specific questions such as the ordering properties of self-assembled nanoparticles supracrystals, the interplay between electronic and structural dynamics in surfaces and adsorbate layers, the light-induced control of collective electronic modes in nanowires and thin films, and the real-space/real-time evolution of the skyrmion lattice in topological magnets. PMID:29308416

Phosphorene quantum dot-fullerene nanocomposites for solar energy conversion: An unexplored inorganic-organic nanohybrid with novel photovoltaic properties

NASA Astrophysics Data System (ADS)

Rajbanshi, Biplab; Kar, Moumita; Sarkar, Pallavi; Sarkar, Pranab

2017-10-01

Using the self-consistent charge density-functional based tight-binding (SCC-DFTB) method, coupled with time-dependent density functional theory (TDDFT) calculations, for the first time we explore the possibility of use of phosphorene quantum dots in solar energy harvesting devices. The phosphorene quantum dots-fullerene (PQDs-PCBA) nanocomposites show type-II band alignment indicating spatial separation of charge carriers. The TDDFT calculations also show that the PQD-fullerene nanocomposites seem to be exciting material for future generation solar energy harvester, with extremely fast charge transfer and very poor recombination rate.

Emulsifier-free emulsion polymerization produces highly charged, monodisperse particles for near infrared photonic crystals.

PubMed

Reese, Chad E; Asher, Sanford A

2002-04-01

We have developed emulsifier-free, emulsion polymerization recipes for the synthesis of highly charged, monodisperse latex particles of diameters between 500 and 1100 nm. These latexes consist of poly[styrene-(co-2-hydroxyethyl methacrylate)] spherical particles whose surfaces are functionalized with sulfate and carboxylic acid groups. These highly charged, monodisperse particles readily self-assemble into robust, three-dimensionally ordered crystalline colloidal array photonic crystals that Bragg diffract light in the near infrared spectral region. By altering the particle number density, the diffraction wavelength can be tuned from approximately 1000 to approximately 4000 nm.

Self-Assembly of Heterogeneously Charged Particles under Confinement

PubMed Central

2013-01-01

Self-assembly—the spontaneous organization of microscopic units into well-defined mesoscopic structures—is a fundamental mechanism for a broad variety of nanotechnology applications in material science. The central role played by the anisotropy resulting from asymmetric shapes of the units and/or well-defined bonding sites on the particle surface has been widely investigated, highlighting the importance of properly designing the constituent entities in order to control the resulting mesoscopic structures. Anisotropy driven self-assembly can also result from the multipolar interactions characterizing many naturally occurring systems, such as proteins and viral capsids, as well as experimentally synthesized colloidal particles. Heterogeneously charged particles represent a class of multipolar units that are characterized by a competitive interplay between anisotropic attractive and repulsive interactions, due to the repulsion/attraction between charged-like/oppositely charged regions on the particle surface. In the present work, axially symmetric quadrupolar colloids are considered in a confined planar geometry; the role of both the overall particle charge and the patch extension as well as the effect of the substrate charge are studied in thermodynamic conditions such that the formation of extended structures is favored. A general tendency to form quasi-two-dimensional aggregates where particles align their symmetry axes within the plane is observed; among these planar self-assembled scenarios, a clear distinction between the formation of microcrystalline gels—branched networks consisting of purely crystalline domains—as opposed to disordered aggregates can be observed based on the specific features of the particle–particle interaction. Additionally, the possible competition of interparticle and particle–substrate interactions affects the size and the internal structure of the aggregates and can possibly inhibit the aggregation process. PMID:23627740

Transformational leadership training programme for charge nurses.

PubMed

Duygulu, Sergul; Kublay, Gulumser

2011-03-01

This paper is a report of an evaluation of the effects of a transformational leadership training programme on Unit Charge Nurses' leadership practices. Current healthcare regulations in the European Union and accreditation efforts of hospitals for their services mandate transformation in healthcare services in Turkey. Therefore, the transformational leadership role of nurse managers is vital in determining and achieving long-term goals in this process. The sample consisted of 30 Unit Charge Nurses with a baccalaureate degree and 151 observers at two university hospitals in Turkey. Data were collected using the Leadership Practices Inventory-Self and Observer (applied four times during a 14-month study process from December 2005 to January 2007). The transformational leadership training programme had theoretical (14 hours) and individual study (14 hours) in five sections. Means, standard deviations and percentages, repeated measure tests and two-way factor analysis were used for analysis. According the Leadership Practices Inventory-Self and Observer ratings, leadership practices increased statistically significantly with the implementation of the programme. There were no significant differences between groups in age, length of time in current job and current position. The Unit Charge Nurses Leadership Practices Inventory self-ratings were significantly higher than those of the observers. There is a need to develop similar programmes to improve the leadership skills of Unit Charge Nurses, and to make it mandatory for nurses assigned to positions of Unit Charge Nurse to attend this kind of leadership programme. © 2010 Blackwell Publishing Ltd.

Multiconfigurational and DFT analyses of the electromeric formulation and UV-vis absorption spectra of the superoxide adduct of ferrous superoxide reductase.

PubMed

Attia, Amr A A; Cioloboc, Daniela; Lupan, Alexandru; Silaghi-Dumitrescu, Radu

2016-12-01

The putative initial adduct of ferrous superoxide reductase (SOR) with superoxide has been alternatively formulated as ferric-peroxo or ferrous-superoxo. The ~600-nm UV-vis absorption band proposed to be assigned to this adduct (either as sole intermediate in the SOR catalytic cycle, or as one of the two intermediates) has recently been interpreted as due to a ligand-to-metal charge transfer, involving thiolate and superoxide in a ferrous complex, contrary to an alternative assignment as a predominantly cysteine thiolate-to-ferric charge transfer in a ferric-peroxo electromer. In an attempt to clarify the electromeric formulation of this adduct, we report a computational study using a multiconfigurational complete active space self-consistent field (MC-CASSCF) wave function approach as well as modelling the UV-vis absorption spectra with time-dependent density functional theory (TD-DFT). The MC-CASSCF calculations disclose a weak interaction between iron and the dioxygenic ligand and a dominant configuration with an essentially ferrous-superoxo character. The computed UV-vis absorption spectra reveal a marked dependence on the choice of density functional - both in terms of location of bands and in terms of orbital contributors. For the main band in the visible region, besides the recently reported thiolate-to-superoxide charge transfer, a more salient, and less functional-dependent, feature is a thiolate-to-ferric iron charge transfer, consistent with a ferric-peroxo electromer. By contrast, the computed UV-vis spectra of a ferric-hydroperoxo SOR model match distinctly better (and with no qualitative dependence on the DFT methodology) the 600-nm band as due to a mainly thiolate-to-ferric character - supporting the assignment of the SOR "600-nm intermediate" as a S=5/2 ferric-hydroperoxo species. Copyright © 2016 Elsevier Inc. All rights reserved.

Current-free double layers: A review

NASA Astrophysics Data System (ADS)

Singh, Nagendra

2011-12-01

During the last decade, there has been an upsurge in the research on current-free DLs (CFDLs). Research includes theory, laboratory measurements, and various applications of CFDLs ranging from plasma thrusters to acceleration of charged particles in space and astrophysical plasmas. The purpose of this review is to present a unified understanding of the basic plasma processes, which lead to the formation of CFDLs. The review starts with the discussion on early research on electric fields and double layers (DLs) and ion acceleration in planar plasma expansion. The review continues with the formation of DLs and rarefaction shocks (RFS) in expanding plasma with two electron populations with different temperatures. The basic theory mitigating the formation of a CFDL by two-electron temperature population is reviewed; we refer to such CFDLs as double layers structures formation by two-temperature electron populations (TET-CFDLs). Application of TET-CFDLS to ion acceleration in laboratory and space plasmas was discussed including the formation of stationary steady-state DLs. A quite different type of CFDLs forms in a helicon plasma device (HPD), in which plasma abruptly expands from a narrow plasma source tube into a wide diffusion tube with abruptly diverging magnetic fields. The formation mechanism of the CFDL in HPD, referred here as current free double layer structure in helicon plasma device (HPD-CFDL), and its applications are reviewed. The formation of a TET-CFDL is due to the self-consistent separation of the two electron populations parallel to the ambient magnetic field. In contrast, a HPD-CFDL forms due to self-consistent separation of electrons and ion perpendicular to the abruptly diverging magnetic field in conjunction with the conducting wall of the expansion chamber in the HPD. One-dimensional theoretical models of CFDLs based on steady-state solution of Vlasov-Poisson system of equations are briefly discussed. Applications of CFDLs ranging from helicon double-layer thrusters (HDLTs) to the accelerations of ions in space and astrophysical plasmas are summarized.

A quasilinear kinetic model for solar wind electrons and protons instabilities

NASA Astrophysics Data System (ADS)

Sarfraz, M.; Yoon, P. H.

2017-12-01

In situ measurements confirm the anisotropic behavior in temperatures of solar wind species. These anisotropies associated with charge particles are observed to be relaxed. In collionless limit, kinetic instabilities play a significant role to reshape particles distribution. The linear analysis results are encapsulated in inverse relationship between anisotropy and plasma beta based observations fittings techniques, simulations methods, or solution of linearized Vlasov equation. Here amacroscopic quasilinear technique is adopted to confirm inverse relationship through solutions of set of self-consistent kinetic equations. Firstly, for a homogeneous and non-collisional medium, quasilinear kinetic model is employed to display asymptotic variations of core and halo electrons temperatures and saturations of wave energy densities for electromagnetic electron cyclotron (EMEC) instability sourced by, T⊥}>T{∥ . It is shown that, in (β ∥ , T⊥}/T{∥ ) phase space, the saturations stages of anisotropies associated with core and halo electrons lined up on their respective marginal stability curves. Secondly, for case of electrons firehose instability ignited by excessive parallel temperature i.e T⊥}>T{∥ , both electrons and protons are allowed to dynamically evolve in time. It is also observed that, the trajectories of protons and electrons at saturation stages in phase space of anisotropy and plasma beta correspond to proton cyclotron and firehose marginal stability curves, respectively. Next, the outstanding issue that most of observed proton data resides in nearly isotropic state in phase space is interpreted. Here, in quasilinear frame-work of inhomogeneous solar wind system, a set of self-consistent quasilinear equations is formulated to show a dynamical variations of temperatures with spatial distributions. On choice of different initial parameters, it is shown that, interplay of electron and proton instabilities provides an counter-balancing force to slow down the protons away from marginal stability states. As we are dealing both, protons and electrons for radially expanding solar wind plasma, our present approach may eventually be incorporated in global-kinetic models of the solar wind species.

Light intensity dependence of open-circuit voltage and short-circuit current of polymer/fullerene solar cells

NASA Astrophysics Data System (ADS)

Koster, L. Jan A.; Mihailetchi, Valentin D.; Ramaker, Robert; Xie, Hangxing; Blom, Paul W. M.

2006-04-01

The open-circuit voltage (Voc) of polymer/fullerene bulk heterojunction solar cells is investigated as a function of light intensity for different temperatures. The observed photogenerated current and V oc are at variance with classical p-n junctionbased models. The influence of light intensity and recombination strength on V oc is consistently explained by a model based on the notion that the quasi-Fermi levels are constant throughout the device, including both drift and diffusion of charge carriers. The light intensity dependence of the short-circuit current density (J sc) is also addressed. A typical feature of polymer/fullerene based solar cells is that Jsc does not scale exactly linearly with light intensity (I). Instead, a power law relationship is found given by Jsc~ Iα, where α ranges from 0.9 to 1. In a number of reports this deviation from unity is attributed to the occurrence of bimolecular recombination. We demonstrate that the dependence of the photocurrent in bulk heterojunction solar cells is governed by the build-up of space charge in the device. The occurrence of space-charge stems from the difference in charge carrier mobility of electrons and holes. In blends of poly(3-hexylthiophene) and 6,6- phenyl C61-butyric acid methyl ester this mobility difference can be tuned in between one and three orders of magnitude, depending on the annealing conditions. This allows us to experimentally verify the relation between space charge build-up and intensity dependence of Jsc. Model calculations confirm that bimolecular recombination leads only to a typical loss of 1% of all free charge carriers at Jsc for these devices. Therefore, bimolecular recombination plays only a minor role as compared to the effect of space charge in the intensity dependence of J sc.

Charge and spin diffusion on the metallic side of the metal-insulator transition: A self-consistent approach

NASA Astrophysics Data System (ADS)

Wellens, Thomas; Jalabert, Rodolfo A.

2016-10-01

We develop a self-consistent theory describing the spin and spatial electron diffusion in the impurity band of doped semiconductors under the effect of a weak spin-orbit coupling. The resulting low-temperature spin-relaxation time and diffusion coefficient are calculated within different schemes of the self-consistent framework. The simplest of these schemes qualitatively reproduces previous phenomenological developments, while more elaborate calculations provide corrections that approach the values obtained in numerical simulations. The results are universal for zinc-blende semiconductors with electron conductance in the impurity band, and thus they are able to account for the measured spin-relaxation times of materials with very different physical parameters. From a general point of view, our theory opens a new perspective for describing the hopping dynamics in random quantum networks.

Low energy beam transport for HIDIF

NASA Astrophysics Data System (ADS)

Meusel, O.; Pozimski, J.; Jakob, A.; Lakatos, A.

2001-05-01

Low energy beam transport (LEBT) for a heavy ion inertial fusion (HIDIF, I. Hofmann and G. Plass, Report of the European Study Group on Heavy Ion Driven Inertial Fusion for the Period 1995-1998) facility suffers from high space charge forces and high ion mass. Space charge compensation reduces the necessary focusing force of the lenses and the radius of the beam in the LEBT, and therefrom the emittance growth due to aberrations and self fields is reduced. Gabor lenses (D. Gabor, Nature 160 (1947)) providing a stable space charge cloud for focusing and combine strong cylinder symmetric focusing with partly space charge compensation and low emittance growth. A high tolerance against source noise and current fluctuations and reduced investment costs could be other possible advantages. The proof of principle has already been demonstrated (J.A. Palkovic, Measurements on a Gabor lens for Neutralizing and Focusing a 30 keV Proton beam, University of Wisconsin, Madison, 1989; J. Pozimski, P. Groß, R. Dölling and T. Weis, First experimental studies of a Gabor plasma-lens in Frankfurt, Proceedings of the 3rd EPAC Conference, Berlin, 1992). To broaden the experiences and to investigate the realisation of a LEBT concept for the HIDIF injector an experimental program using two Gabor lenses for independent variation of beam radius and envelope angel at RFQ injection was started. Therefrom the first experimental results using a double Gabor lens (DGPL) LEBT system for transporting an high perveance Xe + beam are presented and the results of numerical simulations are shown.

Multiscale modeling and computation of optically manipulated nano devices

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

Bao, Gang, E-mail: baog@zju.edu.cn; Liu, Di, E-mail: richardl@math.msu.edu; Luo, Songting, E-mail: luos@iastate.edu

2016-07-01

We present a multiscale modeling and computational scheme for optical-mechanical responses of nanostructures. The multi-physical nature of the problem is a result of the interaction between the electromagnetic (EM) field, the molecular motion, and the electronic excitation. To balance accuracy and complexity, we adopt the semi-classical approach that the EM field is described classically by the Maxwell equations, and the charged particles follow the Schrödinger equations quantum mechanically. To overcome the numerical challenge of solving the high dimensional multi-component many-body Schrödinger equations, we further simplify the model with the Ehrenfest molecular dynamics to determine the motion of the nuclei, andmore » use the Time-Dependent Current Density Functional Theory (TD-CDFT) to calculate the excitation of the electrons. This leads to a system of coupled equations that computes the electromagnetic field, the nuclear positions, and the electronic current and charge densities simultaneously. In the regime of linear responses, the resonant frequencies initiating the out-of-equilibrium optical-mechanical responses can be formulated as an eigenvalue problem. A self-consistent multiscale method is designed to deal with the well separated space scales. The isomerization of azobenzene is presented as a numerical example.« less

Neural-network Kohn-Sham exchange-correlation potential and its out-of-training transferability

NASA Astrophysics Data System (ADS)

Nagai, Ryo; Akashi, Ryosuke; Sasaki, Shu; Tsuneyuki, Shinji

2018-06-01

We incorporate in the Kohn-Sham self-consistent equation a trained neural-network projection from the charge density distribution to the Hartree-exchange-correlation potential n → VHxc for a possible numerical approach to the exact Kohn-Sham scheme. The potential trained through a newly developed scheme enables us to evaluate the total energy without explicitly treating the formula of the exchange-correlation energy. With a case study of a simple model, we show that the well-trained neural-network VHxc achieves accuracy for the charge density and total energy out of the model parameter range used for the training, indicating that the property of the elusive ideal functional form of VHxc can approximately be encapsulated by the machine-learning construction. We also exemplify a factor that crucially limits the transferability—the boundary in the model parameter space where the number of the one-particle bound states changes—and see that this is cured by setting the training parameter range across that boundary. The training scheme and insights from the model study apply to more general systems, opening a novel path to numerically efficient Kohn-Sham potential.

Effect of boundary treatments on quantum transport current in the Green's function and Wigner distribution methods for a nano-scale DG-MOSFET

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

Jiang Haiyan; Department of Mathematics and Statistics, University of North Carolina at Charlotte, Charlotte, NC 28223-0001; Cai Wei

2010-06-20

In this paper, we conduct a study of quantum transport models for a two-dimensional nano-size double gate (DG) MOSFET using two approaches: non-equilibrium Green's function (NEGF) and Wigner distribution. Both methods are implemented in the framework of the mode space methodology where the electron confinements below the gates are pre-calculated to produce subbands along the vertical direction of the device while the transport along the horizontal channel direction is described by either approach. Each approach handles the open quantum system along the transport direction in a different manner. The NEGF treats the open boundaries with boundary self-energy defined by amore » Dirichlet to Neumann mapping, which ensures non-reflection at the device boundaries for electron waves leaving the quantum device active region. On the other hand, the Wigner equation method imposes an inflow boundary treatment for the Wigner distribution, which in contrast ensures non-reflection at the boundaries for free electron waves entering the device active region. In both cases the space-charge effect is accounted for by a self-consistent coupling with a Poisson equation. Our goals are to study how the device boundaries are treated in both transport models affects the current calculations, and to investigate the performance of both approaches in modeling the DG-MOSFET. Numerical results show mostly consistent quantum transport characteristics of the DG-MOSFET using both methods, though with higher transport current for the Wigner equation method, and also provide the current-voltage (I-V) curve dependence on various physical parameters such as the gate voltage and the oxide thickness.« less

Real-Space Multiple-Scattering Theory and Its Applications at Exascale

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

Eisenbach, Markus; Wang, Yang

In recent decades, the ab initio methods based on density functional theory (DFT) (Hohenberg and Kohn 1964, Kohn and Sham 1965) have become a widely used tool in computational materials science, which allows theoretical prediction of physical properties of materials from the first principles and theoretical interpretation of new physical phenomena found in experiments. In the framework of DFT, the original problem that requires solving a quantum mechanical equation for a many-electron system is reduced to a one-electron problem that involves an electron moving in an effective field, while the effective field potential is made up of an electrostatic potential,more » also known as Hartree potential, arising from the electronic and ion charge distribution in space and an exchange–correlation potential, which is a function of the electron density and encapsulates the exchange and correlation effects of the many-electron system. Even though the exact functional form of the exchange-correlation potential is formally unknown, a local density approximation (LDA) or a generalized gradient approximation (GGA) is usually applied so that the calculation of the exchange–correlation potential, as well as the exchange–correlation energy, becomes tractable while a required accuracy is retained. Based on DFT, ab initio electronic structure calculations for a material generally involve a self-consistent process that iterates between two computational tasks: (1) solving an one-electron Schrödinger equation, also known as Kohn–Sham equation, to obtain the electron density and, if needed, the magnetic moment density, and (2) solving the Poisson equation to obtain the electrostatic potential corresponding to the electron density and constructing the effective potential by adding the exchange–correlation potential to the electrostatic potential. This self-consistent process proceeds until a convergence criteria is reached.« less

Generation of Suprathermal Electrons by Collective Processes in Collisional Plasma

NASA Astrophysics Data System (ADS)

Tigik, S. F.; Ziebell, L. F.; Yoon, P. H.

2017-11-01

The ubiquity of high-energy tails in the charged particle velocity distribution functions (VDFs) observed in space plasmas suggests the existence of an underlying process responsible for taking a fraction of the charged particle population out of thermal equilibrium and redistributing it to suprathermal velocity and energy ranges. The present Letter focuses on a new and fundamental physical explanation for the origin of suprathermal electron velocity distribution function (EVDF) in a collisional plasma. This process involves a newly discovered electrostatic bremsstrahlung (EB) emission that is effective in a plasma in which binary collisions are present. The steady-state EVDF dictated by such a process corresponds to a Maxwellian core plus a quasi-inverse power-law tail, which is a feature commonly observed in many space plasma environments. In order to demonstrate this, the system of self-consistent particle- and wave-kinetic equations are numerically solved with an initially Maxwellian EVDF and Langmuir wave spectral intensity, which is a state that does not reflect the presence of EB process, and hence not in force balance. The EB term subsequently drives the system to a new force-balanced steady state. After a long integration period it is demonstrated that the initial Langmuir fluctuation spectrum is modified, which in turn distorts the initial Maxwellian EVDF into a VDF that resembles the said core-suprathermal VDF. Such a mechanism may thus be operative at the coronal source region, which is characterized by high collisionality.

Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions.

PubMed

Ma, Dongxia; Li Manni, Giovanni; Olsen, Jeppe; Gagliardi, Laura

2016-07-12

A multireference second-order perturbation theory approach based on the generalized active space self-consistent-field (GASSCF) wave function is presented. Compared with the complete active space (CAS) and restricted active space (RAS) wave functions, GAS wave functions are more flexible and can employ larger active spaces and/or different truncations of the configuration interaction expansion. With GASSCF, one can explore chemical systems that are not affordable with either CASSCF or RASSCF. Perturbation theory to second order on top of GAS wave functions (GASPT2) has been implemented to recover the remaining electron correlation. The method has been benchmarked by computing the chromium dimer ground-state potential energy curve. These calculations show that GASPT2 gives results similar to CASPT2 even with a configuration interaction expansion much smaller than the corresponding CAS expansion.

Two-dimensional electromagnetic Child-Langmuir law of a short-pulse electron flow

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

Chen, S. H.; Tai, L. C.; Liu, Y. L.

Two-dimensional electromagnetic particle-in-cell simulations were performed to study the effect of the displacement current and the self-magnetic field on the space charge limited current density or the Child-Langmuir law of a short-pulse electron flow with a propagation distance of {zeta} and an emitting width of W from the classical regime to the relativistic regime. Numerical scaling of the two-dimensional electromagnetic Child-Langmuir law was constructed and it scales with ({zeta}/W) and ({zeta}/W){sup 2} at the classical and relativistic regimes, respectively. Our findings reveal that the displacement current can considerably enhance the space charge limited current density as compared to the well-knownmore » two-dimensional electrostatic Child-Langmuir law even at the classical regime.« less

Predicting recidivism with the psychological inventory of criminal thinking styles and level of service inventory-revised: screening version.

PubMed

Walters, Glenn D

2011-06-01

Recidivism was evaluated in 178 male inmates administered the Psychological Inventory of Criminal Thinking Styles (PICTS) and scored on the Level of Service Inventory-Revised: Screening Version (LSI-R:SV) 1-55 months before their release from prison. Age, prior charges, the LSI-R:SV total score, and the PICTS General Criminal Thinking (GCT), Proactive Criminal Thinking (P), and Reactive Criminal Thinking (R) scores served as predictors of recidivism in follow-ups spanning 1-53 months. Age, prior charges, and the PICTS GCT and R scales consistently and incrementally predicted general recidivism (all charges), whereas prior charges and the PICTS R scale consistently and incrementally predicted serious recidivism (more serious charges). Although these results support the predictive efficacy and incremental validity of content-relevant self-report measures of criminality like the PICTS, they also indicate that the effect is modest and in need of further clarification. One area requiring further investigation is the potential role of the PICTS, particularly the R scale, as a dynamic risk factor.

Evolved phase separation toward balanced charge transport and high efficiency in polymer solar cells.

PubMed

Fan, Haijun; Zhang, Maojie; Guo, Xia; Li, Yongfang; Zhan, Xiaowei

2011-09-01

Understanding effect of morphology on charge carrier transport within polymer/fullerene bulk heterojunction is necessary to develop high-performance polymer solar cells. In this work, we synthesized a new benzodithiophene-based polymer with good self-organization behavior as well as favorable morphology evolution of its blend films with PC(71)BM under improved processing conditions. Charge carrier transport behavior of blend films was characterized by space charge limited current method. Evolved blend film morphology by controlling blend composition and additive content gradually reaches an optimized state, featured with nanoscale fibrilla polymer phase in moderate size and balanced mobility ratio close to 1:1 for hole and electron. This optimized morphology toward more balanced charge carrier transport accounts for the best power conversion efficiency of 3.2%, measured under simulated AM 1.5 solar irradiation 100 mW/cm(2), through enhancing short circuit current and reducing geminate recombination loss.

Identification of Key Interactions in the Initial Self-Assembly of Amylin in a Membrane Environment.

PubMed

Christensen, Mikkel; Skeby, Katrine K; Schiøtt, Birgit

2017-09-12

Islet amyloid polypeptide, also known as amylin, forms aggregates that reduce the amount of insulin-producing cells in patients with type II diabetes mellitus. Much remains unknown about the process of aggregation and cytotoxicity, but it is known that certain cell membrane components can alter the rate of aggregation. Using atomistic molecular dynamics simulations combined with the highly mobile membrane mimetic model incorporating enhanced sampling of lipid diffusion, we investigate interaction of amylin peptides with the membrane components as well as the self-assembly of amylin. Consistent with experimental evidence, we find that an initial membrane-bound α-helical state folds into stable β-sheet structures upon self-assembly. Our results suggest the following mechanism for the initial phase of amylin self-assembly. The peptides move around on the membrane with the positively charged N-terminus interacting with the negatively charged lipid headgroups. When the peptides start to interact, they partly unfold and break some of the contacts with the membrane. The initial interactions between the peptides are dominated by aromatic and hydrophobic interactions. Oligomers are formed showing both intra- and interpeptide β-sheets, initially with interactions mainly in the C-terminal domain of the peptides. Decreasing the pH to 5.5 is known to inhibit amyloid formation. At low pH, His18 is protonated, adding a fourth positive charge at the peptide. With His18 protonated, no oligomerization is observed in the simulations. The additional charge gives a strong midpoint anchoring of the peptides to negatively charged membrane components, and the peptides experience additional interpeptide repulsion, thereby preventing interactions.

A universal self-charging system driven by random biomechanical energy for sustainable operation of mobile electronics

PubMed Central

Niu, Simiao; Wang, Xiaofeng; Yi, Fang; Zhou, Yu Sheng; Wang, Zhong Lin

2015-01-01

Human biomechanical energy is characterized by fluctuating amplitudes and variable low frequency, and an effective utilization of such energy cannot be achieved by classical energy-harvesting technologies. Here we report a high-efficient self-charging power system for sustainable operation of mobile electronics exploiting exclusively human biomechanical energy, which consists of a high-output triboelectric nanogenerator, a power management circuit to convert the random a.c. energy to d.c. electricity at 60% efficiency, and an energy storage device. With palm tapping as the only energy source, this power unit provides a continuous d.c. electricity of 1.044 mW (7.34 W m−3) in a regulated and managed manner. This self-charging unit can be universally applied as a standard ‘infinite-lifetime' power source for continuously driving numerous conventional electronics, such as thermometers, electrocardiograph system, pedometers, wearable watches, scientific calculators and wireless radio-frequency communication system, which indicates the immediate and broad applications in personal sensor systems and internet of things. PMID:26656252

THE USE OF ATOMIC BEAMS AS A PROBE FOR STUDYING LOW DENSITY PLASMAS. Quarterly Report for July 1, 1962-October 1, 1962

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

None

1963-10-31

A charge transfer cell was designed with the intention of minimizing space charge effects, since space charge represents a particularly serious handicap in the low energy (1 to 100 ev) region. Some cesium triode characteristice of the cell are presented in the form of curves of plate current versus plate voltage for several different voltages of grid (G1) to cathode. The potassium beamnoble gas attenuatlon studies were continued. The characteristics of a plasma source are described. The source consists of two water cooled copper spindles around which very thin tantalum, tungsten, or rhenium sheet may be wound. The cesium willmore » enter the source through a hole drilled in the face of one of the spindles. (N.W.R.)« less

Numerical investigation of a laser gun injector at CEBAF

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

Byung Yunn; Charles Sinclair; David Neuffer

1993-08-23

A laser gun injector is being developed based on the superconducting rf technologies established at CEBAF. This injector will serve as a high charge cw source for a high power free electron laser. It consists of a dc laser gun, a buncher, a cryounit and a chicane. Its space-charge-dominated performance has been thoroughly investigated using the time-consuming but more appropriate point-by-point space charge calculation method in PARMELA. The notion of ``conditioning for final bunching'' will be introduced. This concept has been built into the code and has greatly facilitated the optimization of the whole system to achieve the highest possiblemore » peak current while maintaining low emittance and low energy spread. Extensive parameter variation studies have shown that the design will perform better than the specifications.« less

A New Kinetic Simulation Model with Self-Consistent Calculation of Regolith Layer Charging for Moon-Plasma Interactions

NASA Astrophysics Data System (ADS)

Han, D.; Wang, J.

2015-12-01

The moon-plasma interactions and the resulting surface charging have been subjects of extensive recent investigations. While many particle-in-cell (PIC) based simulation models have been developed, all existing PIC simulation models treat the surface of the Moon as a boundary condition to the plasma flow. In such models, the surface of the Moon is typically limited to simple geometry configurations, the surface floating potential is calculated from a simplified current balance condition, and the electric field inside the regolith layer cannot be resolved. This paper presents a new full particle PIC model to simulate local scale plasma flow and surface charging. A major feature of this new model is that the surface is treated as an "interface" between two mediums rather than a boundary, and the simulation domain includes not only the plasma but also the regolith layer and the bedrock underneath it. There are no limitations on the surface shape. An immersed-finite-element field solver is applied which calculates the regolith surface floating potential and the electric field inside the regolith layer directly from local charge deposition. The material property of the regolith layer is also explicitly included in simulation. This new model is capable of providing a self-consistent solution to the plasma flow field, lunar surface charging, the electric field inside the regolith layer and the bedrock for realistic surface terrain. This new model is applied to simulate lunar surface-plasma interactions and surface charging under various ambient plasma conditions. The focus is on the lunar terminator region, where the combined effects from the low sun elevation angle and the localized plasma wake generated by plasma flow over a rugged terrain can generate strongly differentially charged surfaces and complex dust dynamics. We discuss the effects of the regolith properties and regolith layer charging on the plasma flow field, dust levitation, and dust transport.

Ion-source modeling and improved performance of the CAMS high-intensity Cs-sputter ion source

NASA Astrophysics Data System (ADS)

Brown, T. A.; Roberts, M. L.; Southon, J. R.

2000-10-01

The interior of the high-intensity Cs-sputter source used in routine operations at the Center for Accelerator Mass Spectrometry (CAMS) has been computer modeled using the program NEDLab, with the aim of improving negative ion output. Space charge effects on ion trajectories within the source were modeled through a successive iteration process involving the calculation of ion trajectories through Poisson-equation-determined electric fields, followed by calculation of modified electric fields incorporating the charge distribution from the previously calculated ion trajectories. The program has several additional features that are useful in ion source modeling: (1) averaging of space charge distributions over successive iterations to suppress instabilities, (2) Child's Law modeling of space charge limited ion emission from surfaces, and (3) emission of particular ion groups with a thermal energy distribution and at randomized angles. The results of the modeling effort indicated that significant modification of the interior geometry of the source would double Cs + ion production from our spherical ionizer and produce a significant increase in negative ion output from the source. The results of the implementation of the new geometry were found to be consistent with the model results.

Swell Gels to Dumbbell Micelles: Construction of Materials and Nanostructure with Self-assembly

NASA Astrophysics Data System (ADS)

Pochan, Darrin

2007-03-01

Bionanotechnology, the emerging field of using biomolecular and biotechnological tools for nanostructure or nanotecnology development, provides exceptional opportunity in the design of new materials. Self-assembly of molecules is an attractive materials construction strategy due to its simplicity in application. By considering peptidic or charged synthetic polymer molecules in the bottom-up materials self-assembly design process, one can take advantage of inherently biomolecular attributes; intramolecular folding events, secondary structure, and electrostatic interactions; in addition to more traditional self-assembling molecular attributes such as amphiphilicty, to define hierarchical material structure and consequent properties. Several molecular systems will be discussed. Synthetic block copolymers with charged corona blocks can be assembled in dilute solution containing multivalent organic counterions to produce micelle structures such as toroids. These ring-like micelles are similar to the toroidal bundling of charged semiflexible biopolymers like DNA in the presence of multivalent counterions. Micelle structure can be tuned between toroids, cylinders, and disks simply by using different concentrations or molecular volumes of organic counterion. In addition, these charged blocks can consist of amino acids as monomers producing block copolypeptides. In addition to the above attributes, block copolypeptides provide the control of block secondary structure to further control self-assembly. Design strategies based on small (less than 24 amino acids) beta-hairpin peptides will be discussed. Self-assembly of the peptides is predicated on an intramolecular folding event caused by desired solution properties. Importantly, the intramolecular folding event impart a molecular-level mechanism for environmental responsiveness at the material level (e.g. infinite change in viscosity of a solution to a gel with changes in pH, ionic strength, temperature).

Bromine-doped DWNTs: A Molecular Faraday Cage

NASA Astrophysics Data System (ADS)

Chen, Gugang; Margine, Roxana; Gupta, Rajeev; Crespi, Vincent; Eklund, Peter; Sumanasekera, Gamini; Bandow, Shunji; Iijima, S.

2003-03-01

Raman scattering is used to probe the charge transfer distribution in Bromine-doped double-walled carbon nanotubes (DWNT). Using 1064 nm and 514.5 nm laser excitation we are able to study the charge-transfer sensitive phonons in the inner ( (5,5)) and outer ( (10,10)) tubes of the double-walled pair. The experimental results are compared to our tight binding band structure calculations that include a self-consistent electrostatic term sensitive to the average net charge density on each tube. Upon doping, the nanotube tangential and radial Raman bands from the outer (primary) tubes were observed to shift dramatically to higher frequencies, consistent with a C-C bond contraction driven by the acceptor-doping. The peak intensities of these bands significantly decreased with increasing doping exposure, and they eventually vanished, consistent with a deep depression in the Fermi energy that extinguishes the resonant Raman effect. Interestingly, at the same time, we observed little or no change for the tangential and radial Raman features identified with the inner (secondary) tubes during the bromine doping. Our electronic structure calculations show that the charge distribution between the outer and inner tubes depends on doping level and also, to some extent, on specific tube chirality combinations. In general, in agreement with experiment, the calculations find a very small net charge on the inner tube, consistent with a "Molecular Faraday Effect", e.g., a DWNT of (10, 10)/ (5, 5) configuration that exhibits 0.5 holes/Å total charge transfer, has only 0.04 holes/Å on the inner (secondary) tube.

Quantum electron levels in the field of a charged black hole

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

Dokuchaev, V. I.; Eroshenko, Yu. N., E-mail: eroshenko@ms2.inr.ac.ru

2015-12-15

Stationary solutions of the Dirac equation in the metric of the charged Reissner–Nordstrom black hole are found. In the case of an extremal black hole, the normalization integral of the wave functions is finite, and the regular stationary solution is physically self-consistent. The presence of quantum electron levels under the Cauchy horizon can have an impact on the final stage of the Hawking evaporation of the black hole, as well as on the particle scattering in the field of the black hole.

Self-organized cooperative swimming at low Reynolds numbers.

PubMed

Reinmüller, Alexander; Schöpe, Hans Joachim; Palberg, Thomas

2013-02-12

Investigations of swimming at low Reynolds numbers (Re < 10(-4)) so far have focused on individual or collectively moving autonomous microswimmers consisting of a single active building unit. Here we show that linear propulsion can also be reproducibly generated in a self-assembled dynamic complex formed from a granular, HCl-releasing particle settled on a charged quartz wall and a swarm of micrometer-sized negatively charged colloids. In isolation, none of the constituents shows motion beyond diffusion. When brought together, they self-assemble into a complex capable of directed swimming. It is stabilized by toroidal solvent flow centered about the granular particle. Propulsion is then launched by an asymmetric distribution of the colloids. Motion is self-stabilizing and continues for up to 25 min with velocities of 1-3 μm/s. Although the details of the mechanisms involved pose a formidable experimental and theoretical challenge, our observations offer a conceptually new, well-reproduced, versatile approach to swimming and transport at low Reynolds numbers.

EOS-AM1 Nickel Hydrogen Cell

NASA Technical Reports Server (NTRS)

Bennett, Charles W.; Keys, Denney J.; Rao, Gopalakrishna M.; Wannemacher, Hari E.; Vaidyanathan, Harry

1997-01-01

This paper reports the interim results of the Earth Observing System AM-1 project (EOS-AM-1) nickel hydrogen cell life test being conducted under contract to National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC) at the Lockheed Martin Missile and Space (LMMS) facility in East Windsor, NJ; and at COMSAT Labs., Clarksburg, MD. The purpose of die tests is to verify that the EOS-AM-1 cell design can meet five years of real-time Low Earth Orbit (LEO) cycling. The tests include both real-time LEO and accelerated stress tests. At LMMS, the first real-time LEO simulated 99 minute orbital cycle started on February 7, 1994 and the test has been running continuously since that time, with 18,202 LEO cycles completed as of September 1, 1997. Each cycle consists of a 64 minute charge (VT at 1.507 volts per cell, 1.06 C/D ratio, followed by 0.6 ampere trickle charge) and a 35 minute constant power discharge at 177 watts (22.5% DOD). At COMSAT, the accelerated stress test consists of 90 minute orbital cycles at 60% DOD with a 30 minute discharge at 60 amperes and a 60 minute charge at 40 amperes (VT at 1.54 volts per cell to 1.09 C/D ratio, followed by 0.6 ampere trickle charge). The real-time LEO life test battery consists of seven, 50AH (nameplate rating) Eagle-Picher, Inc. (EPI) Mantech cells manufactured into three, 3-cell pack assemblies (there are two place holder cells that are not part of the life test electrical circuit). The test pack is configured to simulate the conductive thermal design of the spacecraft battery, including: conductive aluminum sleeves, 3-cell pack aluminum baseplate, and honeycomb panel all mounted to a liquid (-5 C) cold plate. The entire assembly is located in a thermal chamber operating at +30 C. The accelerated stress test unit consists of five cells mounted in machined aluminum test sleeves and is operating at +10 C. The real-time LEO life test battery has met all performance requirements through the first 18,202 cycles, including: end of charge mid discharge cell voltages and voltage gradients; end of charge and discharge cell pressures; within cell and between cell temperature gradients; discharge capacity; current and power levels; and all charge parameters. The accelerated stress test battery has completed 11,998 cycles when the test was terminated. The stress test unit met all test parameters. This paper reports battery perfortnances as a funcfion of cycle life for both the real-time LEO and the accelerated life test regimes.

EOS-AM1 Nickel Hydrogen Cell Interim Life Test Report

NASA Technical Reports Server (NTRS)

Bennett, Charles W.; Keys, D. J.; Rao, G. M.; Wannemacher, H. E.; Vaidyanathan, Hari

1998-01-01

This paper reports the interim results Earth Observing System AM-1 project (EOS-AM-1) nickel hydrogen cell life test being conducted under contract to National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC) at the Lockheed Martin Missiles and Space (LMMS) facility in East Windsor, NJ; and at COMSAT Labs., Clarksburg, MD. The purpose of the tests is to verify that the EOS-AM-1 cell design can meet five years of real-time Low Earth Orbit (LEO) cycling. The tests include both real-time LEO and accelerated stress tests. At LMMS, the first real-time LEO simulated 99 minute orbital cycle started on February 7, 1994 and the test has been running continuously since that time, with 18202 LEO cycles completed as of September 1, 1997. Each cycle consists of a 64-minute charge (VT at 1,507 volts per cell, 1.06 C/D ratio, followed by 0.6 ampere trickle charge) and a 35 minute constant power discharge at 177 watts (22.5 percent DOD). At COMSAT, the accelerated stress test consists of 90 minute orbital cycles at 60 percent DOD with a 30 minute discharge at 60 amperes and a 60 minute charge at 40 amperes (VT at 1.54 volts per cell to 1.90 C/D ratio, followed by 0.6 ampere trickle charge). The real-time LEO life test battery consists of seven, 50AH (nameplate rating) Eagle-Picher, Inc. (EPI) Mantech cells manufactured into three, 3-cell pack assemblies (there are two place holder cells that are not part of the life test electrical circuit). The test pack is configured to simulate the conductive thermal design of the spacecraft battery, including: conductive aluminum sleeves, 3-cell pack aluminum baseplate, and honeycomb panel all mounted to a liquid (minus 5 deg) cold plate. The entire assembly is located in a thermal chamber operating at plus 3 deg. The accelerated stress test unit consists of five cells mounted in machined aluminum test sleeves and is operating at plus 10 deg. The real-time LEO life test battery has met all performance requirements through the first 18,202 cycles, including: end of charge and discharge cell voltages and voltage gradients; end of charge and discharge cells pressures; within cell and between cell temperature gradients dischare capacity; current and power levels; and all charge parameters. The accelerated stress test battery has completed 11998 cycles when the test was terminated. The stress test unit met all test parameters. This paper reports battery performances as a function of cycle life for both the real-time LEO and the accelerated life test regimes.

Sub-fs electron bunch generation with sub-10-fs bunch arrival-time jitter via bunch slicing in a magnetic chicane

NASA Astrophysics Data System (ADS)

Zhu, J.; Assmann, R. W.; Dohlus, M.; Dorda, U.; Marchetti, B.

2016-05-01

The generation of ultrashort electron bunches with ultrasmall bunch arrival-time jitter is of vital importance for laser-plasma wakefield acceleration with external injection. We study the production of 100-MeV electron bunches with bunch durations of subfemtosecond (fs) and bunch arrival-time jitters of less than 10 fs, in an S-band photoinjector by using a weak magnetic chicane with a slit collimator. The beam dynamics inside the chicane is simulated by using two codes with different self-force models. The first code separates the self-force into a three-dimensional (3D) quasistatic space-charge model and a one-dimensional coherent synchrotron radiation (CSR) model, while the other one starts from the first principle with a so-called 3D sub-bunch method. The simulations indicate that the CSR effect dominates the horizontal emittance growth and the 1D CSR model underestimates the final bunch duration and emittance because of the very large transverse-to-longitudinal aspect ratio of the sub-fs bunch. Particularly, the CSR effect is also strongly affected by the vertical bunch size. Due to the coupling between the horizontal and longitudinal phase spaces, the bunch duration at the entrance of the last dipole magnet of the chicane is still significantly longer than that at the exit of the chicane, which considerably mitigates the impact of space charge and CSR effects on the beam quality. Exploiting this effect, a bunch charge of up to 4.8 pC in a sub-fs bunch could be simulated. In addition, we analytically and numerically investigate the impact of different jitter sources on the bunch arrival-time jitter downstream of the chicane, and define the tolerance budgets assuming realistic values of the stability of the linac for different bunch charges and compression schemes.

How to Construct the Anti-Self Charge Conjugate States?

NASA Astrophysics Data System (ADS)

Dvoeglazov, Valeriy V.

2015-01-01

We construct self/anti-self charge conjugate (Majorana-like) states in the (1/2, 0) ⊕ (0, 1/2) representation of the Lorentz group, and their analogs for higher spins within the quantum field theory. The problem of the basis rotations and that of the selection of phases in the Dirac-like and Majorana-like field operators are considered. The discrete symmetries properties (P, C, T) are studied. The corresponding dynamical equations are presented. In the (1/2, 0) ⊕ (0, 1/2) representation they obey the Dirac-like equation with eight components, which has been first introduced by Markov. Thus, the Fock space for corresponding quantum fields is doubled (as shown by Ziino). The particular attention has been paid to the questions of chirality and helicity (two concepts which are frequently confused in the literature) for Dirac and Majorana states. We further review several experimental consequences which follow from the previous works of M.Kirchbach et al. on neutrinoless double beta decay, and G.J.Ni et al. on meson lifetimes.

Higher spin black holes with soft hair

NASA Astrophysics Data System (ADS)

Grumiller, Daniel; Pérez, Alfredo; Prohazka, Stefan; Tempo, David; Troncoso, Ricardo

2016-10-01

We construct a new set of boundary conditions for higher spin gravity, inspired by a recent "soft Heisenberg hair"-proposal for General Relativity on three-dimensional Anti-de Sitter space. The asymptotic symmetry algebra consists of a set of affine û(1) current algebras. Its associated canonical charges generate higher spin soft hair. We focus first on the spin-3 case and then extend some of our main results to spin- N , many of which resemble the spin-2 results: the generators of the asymptotic W 3 algebra naturally emerge from composite operators of the û(1) charges through a twisted Sugawara construction; our boundary conditions ensure regularity of the Euclidean solutions space independently of the values of the charges; solutions, which we call "higher spin black flowers", are stationary but not necessarily spherically symmetric. Finally, we derive the entropy of higher spin black flowers, and find that for the branch that is continuously connected to the BTZ black hole, it depends only on the affine purely gravitational zero modes. Using our map to W -algebra currents we recover well-known expressions for higher spin entropy. We also address higher spin black flowers in the metric formalism and achieve full consistency with previous results.

Integrated fusion simulation with self-consistent core-pedestal coupling

DOE PAGES

Meneghini, O.; Snyder, P. B.; Smith, S. P.; ...

2016-04-20

In this study, accurate prediction of fusion performance in present and future tokamaks requires taking into account the strong interplay between core transport, pedestal structure, current profile and plasma equilibrium. An integrated modeling workflow capable of calculating the steady-state self- consistent solution to this strongly-coupled problem has been developed. The workflow leverages state-of-the-art components for collisional and turbulent core transport, equilibrium and pedestal stability. Validation against DIII-D discharges shows that the workflow is capable of robustly pre- dicting the kinetic profiles (electron and ion temperature and electron density) from the axis to the separatrix in good agreement with the experiments.more » An example application is presented, showing self-consistent optimization for the fusion performance of the 15 MA D-T ITER baseline scenario as functions of the pedestal density and ion effective charge Z eff.« less

Transport across nanogaps using self-consistent boundary conditions

NASA Astrophysics Data System (ADS)

Biswas, D.; Kumar, R.

2012-06-01

Charge particle transport across nanogaps is studied theoretically within the Schrodinger-Poisson mean field framework. The determination of self-consistent boundary conditions across the gap forms the central theme in order to allow for realistic interface potentials (such as metal-vacuum) which are smooth at the boundary and do not abruptly assume a constant value at the interface. It is shown that a semiclassical expansion of the transmitted wavefunction leads to approximate but self consistent boundary conditions without assuming any specific form of the potential beyond the gap. Neglecting the exchange and correlation potentials, the quantum Child-Langmuir law is investigated. It is shown that at zero injection energy, the quantum limiting current density (Jc) is found to obey the local scaling law Jc ~ Vgα/D5-2α with the gap separation D and voltage Vg. The exponent α > 1.1 with α → 3/2 in the classical regime of small de Broglie wavelengths.

A multichannel model for the self-consistent analysis of coherent transport in graphene nanoribbons.

PubMed

Mencarelli, Davide; Pierantoni, Luca; Farina, Marco; Di Donato, Andrea; Rozzi, Tullio

2011-08-23

In this contribution, we analyze the multichannel coherent transport in graphene nanoribbons (GNRs) by a scattering matrix approach. We consider the transport properties of GNR devices of a very general form, involving multiple bands and multiple leads. The 2D quantum transport over the whole GNR surface, described by the Schrödinger equation, is strongly nonlinear as it implies calculation of self-generated and externally applied electrostatic potentials, solutions of the 3D Poisson equation. The surface charge density is computed as a balance of carriers traveling through the channel at all of the allowed energies. Moreover, formation of bound charges corresponding to a discrete modal spectrum is observed and included in the model. We provide simulation examples by considering GNR configurations typical for transistor devices and GNR protrusions that find an interesting application as cold cathodes for X-ray generation. With reference to the latter case, a unified model is required in order to couple charge transport and charge emission. However, to a first approximation, these could be considered as independent problems, as in the example. © 2011 American Chemical Society

Accurate description of charge transport in organic field effect transistors using an experimentally extracted density of states

NASA Astrophysics Data System (ADS)

Roelofs, W. S. C.; Mathijssen, S. G. J.; Janssen, R. A. J.; de Leeuw, D. M.; Kemerink, M.

2012-02-01

The width and shape of the density of states (DOS) are key parameters to describe the charge transport of organic semiconductors. Here we extract the DOS using scanning Kelvin probe microscopy on a self-assembled monolayer field effect transistor (SAMFET). The semiconductor is only a single monolayer which has allowed extraction of the DOS over a wide energy range, pushing the methodology to its fundamental limit. The measured DOS consists of an exponential distribution of deep states with additional localized states on top. The charge transport has been calculated in a generic variable range-hopping model that allows any DOS as input. We show that with the experimentally extracted DOS an excellent agreement between measured and calculated transfer curves is obtained. This shows that detailed knowledge of the density of states is a prerequisite to consistently describe the transfer characteristics of organic field effect transistors.

INTEGRAL/SPI γ-ray line spectroscopy. Response and background characteristics

NASA Astrophysics Data System (ADS)

Diehl, Roland; Siegert, Thomas; Greiner, Jochen; Krause, Martin; Kretschmer, Karsten; Lang, Michael; Pleintinger, Moritz; Strong, Andrew W.; Weinberger, Christoph; Zhang, Xiaoling

2018-03-01

Context. The space based γ-ray observatory INTEGRAL of the European Space Agency (ESA) includes the spectrometer instrument "SPI". This is a coded mask telescope featuring a 19-element Germanium detector array for high-resolution γ-ray spectroscopy, encapsulated in a scintillation detector assembly that provides a veto for background from charged particles. In space, cosmic rays irradiate spacecraft and instruments, which, in spite of the vetoing detectors, results in a large instrumental background from activation of those materials, and leads to deterioration of the charge collection properties of the Ge detectors. Aim. We aim to determine the measurement characteristics of our detectors and their evolution with time, that is, their spectral response and instrumental background. These incur systematic variations in the SPI signal from celestial photons, hence their determination from a broad empirical database enables a reduction of underlying systematics in data analysis. For this, we explore compromises balancing temporal and spectral resolution within statistical limitations. Our goal is to enable modelling of background applicable to spectroscopic studies of the sky, accounting separately for changes of the spectral response and of instrumental background. Methods: We use 13.5 years of INTEGRAL/SPI data, which consist of spectra for each detector and for each pointing of the satellite. Spectral fits to each such spectrum, with independent but coherent treatment of continuum and line backgrounds, provides us with details about separated background components. From the strongest background lines, we first determine how the spectral response changes with time. Applying symmetry and long-term stability tests, we eliminate degeneracies and reduce statistical fluctuations of background parameters, with the aim of providing a self-consistent description of the spectral response for each individual detector. Accounting for this, we then determine how the instrumental background components change in intensities and other characteristics, most-importantly their relative distribution among detectors. Results: Spectral resolution of Ge detectors in space degrades with time, up to 15% within half a year, consistently for all detectors, and across the SPI energy range. Semi-annual annealing operations recover these losses, yet there is a small long-term degradation. The intensity of instrumental background varies anti-correlated to solar activity, in general. There are significant differences among different lines and with respect to continuum. Background lines are found to have a characteristic, well-defined and long-term consistent intensity ratio among detectors. We use this to categorise lines in groups of similar behaviour. The dataset of spectral-response and background parameters as fitted across the INTEGRAL mission allows studies of SPI spectral response and background behaviour in a broad perspective, and efficiently supports precision modelling of instrumental background.

Plasma layers near the electrodes of a cesium diode - Anode layer

NASA Astrophysics Data System (ADS)

Oganezov, Z. A.; Timoshenko, L. S.; Tskhakaya, V. K.

1982-08-01

A planar electron beam probe is used to study the plasma layer in contact with a nonemitting electrode. It is found that the field distribution in the space-charge region of the layer adjacent to a nonemitting electrode is linear and obeys a specific empirical relation over a large range of variation in the plasma parameters, while the potential distribution has a corresponding parabolic form. In order for these values to be consistent, it is necessary to assume that the potential at the boundary between the quasi-neutral plasma and the space-charge is equal to a value which is substantially larger than the theoretically permitted potential drop in a quasi-neutral plasma.

Integration of RAM-SCB into the Space Weather Modeling Framework

DOE PAGES

Welling, Daniel; Toth, Gabor; Jordanova, Vania Koleva; ...

2018-02-07

We present that numerical simulations of the ring current are a challenging endeavor. They require a large set of inputs, including electric and magnetic fields and plasma sheet fluxes. Because the ring current broadly affects the magnetosphere-ionosphere system, the input set is dependent on the ring current region itself. This makes obtaining a set of inputs that are self-consistent with the ring current difficult. To overcome this challenge, researchers have begun coupling ring current models to global models of the magnetosphere-ionosphere system. This paper describes the coupling between the Ring current Atmosphere interaction Model with Self-Consistent Magnetic field (RAM-SCB) tomore » the models within the Space Weather Modeling Framework. Full details on both previously introduced and new coupling mechanisms are defined. Finally, the impact of self-consistently including the ring current on the magnetosphere-ionosphere system is illustrated via a set of example simulations.« less

Integration of RAM-SCB into the Space Weather Modeling Framework

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

Welling, Daniel; Toth, Gabor; Jordanova, Vania Koleva

We present that numerical simulations of the ring current are a challenging endeavor. They require a large set of inputs, including electric and magnetic fields and plasma sheet fluxes. Because the ring current broadly affects the magnetosphere-ionosphere system, the input set is dependent on the ring current region itself. This makes obtaining a set of inputs that are self-consistent with the ring current difficult. To overcome this challenge, researchers have begun coupling ring current models to global models of the magnetosphere-ionosphere system. This paper describes the coupling between the Ring current Atmosphere interaction Model with Self-Consistent Magnetic field (RAM-SCB) tomore » the models within the Space Weather Modeling Framework. Full details on both previously introduced and new coupling mechanisms are defined. Finally, the impact of self-consistently including the ring current on the magnetosphere-ionosphere system is illustrated via a set of example simulations.« less

Direct determination of energy level alignment and charge transport at metal-Alq3 interfaces via ballistic-electron-emission spectroscopy.

PubMed

Jiang, J S; Pearson, J E; Bader, S D

2011-04-15

Using ballistic-electron-emission spectroscopy (BEES), we directly determined the energy barrier for electron injection at clean interfaces of Alq(3) with Al and Fe to be 2.1 and 2.2 eV, respectively. We quantitatively modeled the sub-barrier BEES spectra with an accumulated space charge layer, and found that the transport of nonballistic electrons is consistent with random hopping over the injection barrier.

Direct determination of energy level alignment and charge transport at metal/Alq{sub 3} interfaces via ballistic-electron-emission spectroscopy.

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

Jiang, J. S.; Pearson, J. E.; Bader, S. D.

2011-04-15

Using ballistic-electron-emission spectroscopy (BEES), we directly determined the energy barrier for electron injection at clean interfaces of Alq{sub 3} with Al and Fe to be 2.1 and 2.2 eV, respectively. We quantitatively modeled the sub-barrier BEES spectra with an accumulated space charge layer, and found that the transport of nonballistic electrons is consistent with random hopping over the injection barrier.

Analysis of a Lunar Base Electrostatic Radiation Shield Concept

NASA Technical Reports Server (NTRS)

Buhler, Charles R.

2004-01-01

Space weather can be defined as the total ensemble of radiation in space, as well as on the surface of moons and asteroids. It consists of electromagnetic, charged-particle, and neutral particle radiation. The fundamental goal behind this NIAC Phase I research is to investigate methods of generating a static electric-field potential phi(x, y, z) in the volume above and around a "safe" or protected area on the lunar surface so that trajectories of harmful charged particle radiation are modified (deflected or reflected), thus creating a shadow over that region. Since the charged particles are not neutralized but merely redirected, there will be areas outside of the shadowed protected region that will have a higher flux concentration of radiation. One of the fundamental limitations of the static electric (electrostatic)-field approach to radiation shielding is that complete shadowing is accomplished only by complete reflection, which can only occur for shield voltages greater than or equal to the kinetic energy (in electron volts) of the incoming charged particles. Just as habitats on Earth are protected from severe weather events and conditions, such as extreme temperatures, high winds, and UV radiation, using multiple methods of shielding protection from severe space weather will undoubtedly require multiple strategies. The electrostatic shield concept may be one of many methods employed to protect astronaut habitats on the lunar surface from some of the harmful effects of space weather.

Conformation-driven quantum interference effects mediated by through-space conjugation in self-assembled monolayers

NASA Astrophysics Data System (ADS)

Carlotti, Marco; Kovalchuk, Andrii; Wächter, Tobias; Qiu, Xinkai; Zharnikov, Michael; Chiechi, Ryan C.

2016-12-01

Tunnelling currents through tunnelling junctions comprising molecules with cross-conjugation are markedly lower than for their linearly conjugated analogues. This effect has been shown experimentally and theoretically to arise from destructive quantum interference, which is understood to be an intrinsic, electronic property of molecules. Here we show experimental evidence of conformation-driven interference effects by examining through-space conjugation in which π-conjugated fragments are arranged face-on or edge-on in sufficiently close proximity to interact through space. Observing these effects in the latter requires trapping molecules in a non-equilibrium conformation closely resembling the X-ray crystal structure, which we accomplish using self-assembled monolayers to construct bottom-up, large-area tunnelling junctions. In contrast, interference effects are completely absent in zero-bias simulations on the equilibrium, gas-phase conformation, establishing through-space conjugation as both of fundamental interest and as a potential tool for tuning tunnelling charge-transport in large-area, solid-state molecular-electronic devices.

On the design of composite protein-quantum dot biomaterials via self-assembly.

PubMed

Majithia, Ravish; Patterson, Jan; Bondos, Sarah E; Meissner, Kenith E

2011-10-10

Incorporation of nanoparticles during the hierarchical self-assembly of protein-based materials can impart function to the resulting composite materials. Herein we demonstrate that the structure and nanoparticle distribution of composite fibers are sensitive to the method of nanoparticle addition and the physicochemical properties of both the nanoparticle and the protein. Our model system consists of a recombinant enhanced green fluorescent protein-Ultrabithorax (EGFP-Ubx) fusion protein and luminescent CdSe-ZnS core-shell quantum dots (QDs), allowing us to optically assess the distribution of both the protein and nanoparticle components within the composite material. Although QDs favorably interact with EGFP-Ubx monomers, the relatively rough surface morphology of composite fibers suggests EGFP-Ubx-QD conjugates impact self-assembly. Indeed, QDs templated onto EGFP-Ubx film post-self-assembly can be subsequently drawn into smooth composite fibers. Additionally, the QD surface charge impacts QD distribution within the composite material, indicating that surface charge plays an important role in self-assembly. QDs with either positively or negatively charged coatings significantly enhance fiber extensibility. Conversely, QDs coated with hydrophobic moieties and suspended in toluene produce composite fibers with a heterogeneous distribution of QDs and severely altered fiber morphology, indicating that toluene severely disrupts Ubx self-assembly. Understanding factors that impact the protein-nanoparticle interaction enables manipulation of the structure and mechanical properties of composite materials. Since proteins interact with nanoparticle surface coatings, these results should be applicable to other types of nanoparticles with similar chemical groups on the surface.

SPIRiT: Iterative Self-consistent Parallel Imaging Reconstruction from Arbitrary k-Space

PubMed Central

Lustig, Michael; Pauly, John M.

2010-01-01

A new approach to autocalibrating, coil-by-coil parallel imaging reconstruction is presented. It is a generalized reconstruction framework based on self consistency. The reconstruction problem is formulated as an optimization that yields the most consistent solution with the calibration and acquisition data. The approach is general and can accurately reconstruct images from arbitrary k-space sampling patterns. The formulation can flexibly incorporate additional image priors such as off-resonance correction and regularization terms that appear in compressed sensing. Several iterative strategies to solve the posed reconstruction problem in both image and k-space domain are presented. These are based on a projection over convex sets (POCS) and a conjugate gradient (CG) algorithms. Phantom and in-vivo studies demonstrate efficient reconstructions from undersampled Cartesian and spiral trajectories. Reconstructions that include off-resonance correction and nonlinear ℓ1-wavelet regularization are also demonstrated. PMID:20665790

Electromagnetic form factors of singly heavy baryons in the self-consistent SU(3) chiral quark-soliton model

NASA Astrophysics Data System (ADS)

Kim, June-Young; Kim, Hyun-Chul

2018-06-01

The self-consistent chiral quark-soliton model is a relativistic pion mean-field approach in the large Nc limit, which describes both light and heavy baryons on an equal footing. In the limit of the infinitely heavy mass of the heavy quark, a heavy baryon can be regarded as Nc-1 valence quarks bound by the pion mean fields, leaving the heavy quark as a color static source. The structure of the heavy baryon in this scheme is mainly governed by the light-quark degrees of freedom. Based on this framework, we evaluate the electromagnetic form factors of the lowest-lying heavy baryons. The rotational 1 /Nc and strange current quark mass corrections in linear order are considered. We discuss the electric charge and magnetic densities of heavy baryons in comparison with those of the nucleons. The results of the electric charge radii of the positive-charged heavy baryons show explicitly that the heavy baryon is a compact object. The electric form factors are presented. The form factor of Σc++ is compared with that from a lattice QCD. We also discuss the results of the magnetic form factors. The magnetic moments of the baryon sextet with spin 1 /2 and the magnetic radii are compared with other works and the lattice data.

BRST Formalism in Self-Dual Chern-Simons Theory with Matter Fields

NASA Astrophysics Data System (ADS)

Dai, Jialiang; Fan, Engui

2018-04-01

We apply BRST method to the self-dual Chern-Simons gauge theory with matter fields and the generators of symmetries of the system from an elegant Lie algebra structure under the operation of Poisson bracket. We discuss four different cases: abelian, nonabelian, relativistic, and nonrelativistic situations and extend the system to the whole phase space including ghost fields. In addition, we obtain the BRST charge of the field system and check its nilpotence of the BRST transformation which plays an important role such as in topological quantum field theory and string theory.

Amps particle accelerator definition study

NASA Technical Reports Server (NTRS)

Sellen, J. M., Jr.

1975-01-01

The Particle Accelerator System of the AMPS (Atmospheric, Magnetospheric, and Plasmas in Space) payload is a series of charged particle accelerators to be flown with the Space Transportation System Shuttle on Spacelab missions. In the configuration presented, the total particle accelerator system consists of an energetic electron beam, an energetic ion accelerator, and both low voltage and high voltage plasma acceleration devices. The Orbiter is illustrated with such a particle accelerator system.

Self-consistent DFT +U method for real-space time-dependent density functional theory calculations

NASA Astrophysics Data System (ADS)

Tancogne-Dejean, Nicolas; Oliveira, Micael J. T.; Rubio, Angel

2017-12-01

We implemented various DFT+U schemes, including the Agapito, Curtarolo, and Buongiorno Nardelli functional (ACBN0) self-consistent density-functional version of the DFT +U method [Phys. Rev. X 5, 011006 (2015), 10.1103/PhysRevX.5.011006] within the massively parallel real-space time-dependent density functional theory (TDDFT) code octopus. We further extended the method to the case of the calculation of response functions with real-time TDDFT+U and to the description of noncollinear spin systems. The implementation is tested by investigating the ground-state and optical properties of various transition-metal oxides, bulk topological insulators, and molecules. Our results are found to be in good agreement with previously published results for both the electronic band structure and structural properties. The self-consistent calculated values of U and J are also in good agreement with the values commonly used in the literature. We found that the time-dependent extension of the self-consistent DFT+U method yields improved optical properties when compared to the empirical TDDFT+U scheme. This work thus opens a different theoretical framework to address the nonequilibrium properties of correlated systems.

Theoretical analysis and simulation of the influence of self-bunching effects and longitudinal space charge effects on the propagation of keV electron bunch produced by a novel S-band Micro-Pulse electron Gun

NASA Astrophysics Data System (ADS)

Zhao, Jifei; Lu, Xiangyang; Zhou, Kui; Yang, Ziqin; Yang, Deyu; Luo, Xing; Tan, Weiwei; Yang, Yujia

2016-06-01

As an important electron source, Micro-Pulse electron Gun (MPG) which is qualified for producing high average current, short pulse, low emittance electron bunches steadily holds promise to use as an electron source of Coherent Smith-Purcell Radiation (CSPR), Free Electron Laser (FEL). The stable output of S-band MPG has been achieved in many labs. To establish reliable foundation for the future application of it, the propagation of picosecond electron bunch produced by MPG should be studied in detail. In this article, the MPG which was working on the rising stage of total effective Secondary Electron Yield (SEY) curve was introduced. The self-bunching mechanism was discussed in depth both in the multipacting amplifying state and the steady working state. The bunch length broadening induced by the longitudinal space-charge (SC) effects was investigated by different theoretical models in different regions. The 2D PIC codes MAGIC and beam dynamic codes TraceWin simulations were also performed in the propagation. The result shows an excellent agreement between the simulation and the theoretical analysis for bunch length evolution.

Computer models of the spacecraft wake

NASA Technical Reports Server (NTRS)

Rubin, A. G.; Heinemann, M.; Tautz, M.; Cooke, D.

1986-01-01

Until recently, computations of space plasma flow over a spacecraft have been unstable for ratios of spacecraft dimension to Debye length typical of the low Earth orbit environment. Calculations are presented of the spacecraft/environment interaction based on two computer codes, MACH and POLAR. MACH, an inside-out particle tracking code, was developed for the purpose of validating the physics of POLAR in regimes where these are no comprehensive theoretical or experimental results. While the spacecraft which can be treated by MACH are restricted to simple geometries, the methodology is more fundamental than POLAR. MACH generates self-consistent solutions within the context of quasisteady Vlasov plasma flow and achieves Debye ratios previously unobtainable. POLAR uses a three-dimensional finite-element representation of the vehicle in a staggered mesh. The plasma sheath is modeled by outside-in particle tracking. Solutions for the plasma flow, wake and vehicle charging are obtained by Vlasov-Poisson iteration; charge stabilization techniques make the results virtually insensitive to the Debye ratio. POLAR reproduces the Laframboise static plasma solutions for sperical probes and fits the Makita-Kuriki probe data for spheres in a flowing plasma in regions where comparisons are valid. POLAR and MACH solutions for the particle and electrostatic potential structure of the wake of a charged disk in a low-altitude flow are shown for Mach numbers 4, 5, and 8. New features of the solutions include ion focussing in the wake and a definitive determination of the sheath edge in the wake which shows that the sheath is not an equipotential.

Charge Stabilized Crystalline Colloidal Arrays As Templates For Fabrication of Non-Close-Packed Inverted Photonic Crystals

PubMed Central

Bohn, Justin J.; Ben-Moshe, Matti; Tikhonov, Alexander; Qu, Dan; Lamont, Daniel N.

2010-01-01

We developed a straightforward method to form non close-packed highly ordered fcc direct and inverse opal silica photonic crystals. We utilize an electrostatically self assembled crystalline colloidal array (CCA) template formed by monodisperse, highly charged polystyrene particles. We then polymerize a hydrogel around the CCA (PCCA) and condense the silica to form a highly ordered silica impregnated (siPCCA) photonic crystal. Heating at 450 °C removes the organic polymer leaving a silica inverse opal structure. By altering the colloidal particle concentration we independently control the particle spacing and the wall thickness of the inverse opal photonic crystals. This allows us to control the optical dielectric constant modulation in order to optimize the diffraction; the dielectric constant modulation is controlled independently of the photonic crystal periodicity. These fcc photonic crystals are better ordered than typical close-packed photonic crystals because their self assembly utilizes soft electrostatic repulsive potentials. We show that colloidal particle size and charge polydispersity has modest impact on ordering, in contrast to that for close-packed crystals. PMID:20163800

Development of a low-energy charged particle detector with on-anode ASIC for in-situ plasma measurement in the Earth's magnetosphere

NASA Astrophysics Data System (ADS)

Saito, M.; Saito, Y.; Mukai, T.; Asamura, K.

2009-06-01

The future magnetospheric exploration missions (ex. SCOPE: cross Scale COupling in the Plasma universE) aim to obtain electron 3D distribution function with very fast time resolution below 10 ms to investigate the electron dynamics that is regarded as pivotal in understanding the space plasma phenomena such as magnetic reconnection. This can be achieved by developing a new plasma detector system which is fast in signal processing with small size, light weight and low power consumption. The new detector system consists of stacked micro channel plates and a position sensitive multi-anode detector with on-anode analogue ASIC (Application Specific Integrated Circuits). Multi-anode system usually suffers from false signals caused by mainly two effects. One is the effect of the electrostatic crosstalk between the discrete anodes since our new detector consists of many adjacent anodes with small gaps to increase the detection areas. Our experimental results show that there exists electrostatic crosstalk effect of approximately 10% from the adjacent anodes. The effect of 10% electrostatic crosstalk can be effectively avoided by a suitable discrimination level of the signal processing circuit. Non negligible charge cloud size on the anode also causes false counts. Optimized ASIC for in-situ plasma measurement in the Earth's magnetosphere is under development. The initial electron cloud at the MCP output has angular divergence. Furthermore, space charge effects may broaden the size of the charge cloud. We have obtained the charge cloud size both experimentally and theoretically. Our test model detector shows expected performance that is explained by our studies above.

Nature of Molecular Interactions of Peptides with Gold, Palladium, and Pd-Au Bimetal Surfaces in Aqueous Solution

DTIC Science & Technology

2009-06-24

bimetallic surfaces also possess additional polarity, approximated by atomic charges of +0.3e and -0.3e at the Pd and Au sides of the interface , which...as well as polarization and charge transfer at the metal interface (only qualitatively considered here). A hexagonal spacing of ∼1.6 Å between...as results from quantum-mechanical calculations on small peptide and surface fragments. Interfaces were modeled using the consistent valence force

Pulse-Shape Discrimination of Alpha Particles of Different Specific Energy-Loss With Parallel-Plate Avalanche Counters

NASA Astrophysics Data System (ADS)

Nakhostin, M.; Baba, M.

2014-06-01

Parallel-plate avalanche counters have long been recognized as timing detectors for heavily ionizing particles. However, these detectors suffer from a poor pulse-height resolution which limits their capability to discriminate between different ionizing particles. In this paper, a new approach for discriminating between charged particles of different specific energy-loss with avalanche counters is demonstrated. We show that the effect of the self-induced space-charge in parallel-plate avalanche counters leads to a strong correlation between the shape of output current pulses and the amount of primary ionization created by the incident charged particles. The correlation is then exploited for the discrimination of charged particles with different energy-losses in the detector. The experimental results obtained with α-particles from an 241Am α-source demonstrate a discrimination capability far beyond that achievable with the standard pulse-height discrimination method.

Self-consistent-field study of conduction through conjugated molecules

NASA Astrophysics Data System (ADS)

Paulsson, Magnus; Stafström, Sven

2001-07-01

Current-voltage (I-V) characteristics of individual molecules connected by metallic leads are studied theoretically. Using the Pariser-Parr-Pople quantum chemical method to model the molecule enables us to include electron-electron interactions in the Hartree approximation. The self-consistent-field method is used to calculate charging together with other properties for the total system under bias. Thereafter the Landauer formula is used to calculate the current from the transmission amplitudes. The most important parameter to understand charging is the position of the chemical potentials of the leads in relation to the molecular levels. At finite bias, the main part of the potential drop is located at the molecule-lead junctions. Also, the potential of the molecule is shown to partially follow the chemical potential closest to the highest occupied molecular orbital (HOMO). Therefore, the resonant tunneling steps in the I-V curves are smoothed giving a I-V resembling a ``Coulomb-gap.'' However, the charge of the molecule is not quantized since the molecule is small with quite strong interactions with the leads. The calculations predict an increase in the current at the bias corresponding to the energy gap of the molecule irrespective of the metals used in the leads. When the bias is increased further, charge is redistributed from the HOMO level to the lowest unoccupied molecular orbital of the molecule. This gives a step in the I-V curves and a corresponding change in the potential profile over the molecule. Calculations were mainly performed on polyene molecules. Molecules asymmetrically coupled to the leads model the I-V curves for molecules contacted by a scanning tunneling microscopy tip. I-V curves for pentapyrrole and another molecule that show negative differential conductance are also analyzed. The charging of these two systems depends on the shape of the molecular wave functions.

Self-Powered Adaptive Switched Architecture Storage

NASA Astrophysics Data System (ADS)

El Mahboubi, F.; Bafleur, M.; Boitier, V.; Alvarez, A.; Colomer, J.; Miribel, P.; Dilhac, J.-M.

2016-11-01

Ambient energy harvesting coupled to storage is a way to improve the autonomy of wireless sensors networks. Moreover, in some applications with harsh environment or when a long service lifetime is required, the use of batteries is prohibited. Ultra-capacitors provide in this case a good alternative for energy storage. Such storage must comply with the following requirements: a sufficient voltage during the initial charge must be rapidly reached, a significant amount of energy should be stored and the unemployed residual energy must be minimised at discharge. To answer these apparently contradictory criteria, we propose a selfadaptive switched architecture consisting of a matrix of switched ultra-capacitors. We present the results of a self-powered adaptive prototype that shows the improvement in terms of charge time constant, energy utilization rate and then energy autonomy.

Self-consistent field calculations of conductance through conjugated molecules at finite bias

NASA Astrophysics Data System (ADS)

Paulsson, Magnus; Stafström, Sven

2001-03-01

Conductance through conjugated molecules have previously been calculated for a large number of systems using the Landauer formula but only a few calculations have included charging effects. In this study we present calculations in the mean field approximation of the conductance of metal-molecule-metal systems using two different kinds of molecules for a large number of configurations and applied biases. The molecules are described in the Pariser-Parr Pople model. Current-voltage (I-V) characteristics and charge distribution of the molecule connected by one dimensional leads to reservoirs is solved within the Hartree-Fock approximation. Charging of the molecule occurs when the chemical potential of the reservoirs approach the resonant tunneling levels. The ensuing potential difference, due to the charging, shifts the tunneling peaks which affects the I-V curves considerably. Asymmetrical interaction with the metal leads, e.g. molecule on a metal surface contacted with an STM-tip, also give asymmetrical I-V curves where the potential of the molecule is shown to more closely follow the potential of the surface. Negative differential conductance is discussed in systems consisting of two weakly coupled molecules.

Effect of Structure and Disorder on the Charge Transport in Defined Self-Assembled Monolayers of Organic Semiconductors.

PubMed

Schmaltz, Thomas; Gothe, Bastian; Krause, Andreas; Leitherer, Susanne; Steinrück, Hans-Georg; Thoss, Michael; Clark, Timothy; Halik, Marcus

2017-09-26

Self-assembled monolayer field-effect transistors (SAMFETs) are not only a promising type of organic electronic device but also allow detailed analyses of structure-property correlations. The influence of the morphology on the charge transport is particularly pronounced, due to the confined monolayer of 2D-π-stacked organic semiconductor molecules. The morphology, in turn, is governed by relatively weak van-der-Waals interactions and is thus prone to dynamic structural fluctuations. Accordingly, combining electronic and physical characterization and time-averaged X-ray analyses with the dynamic information available at atomic resolution from simulations allows us to characterize self-assembled monolayer (SAM) based devices in great detail. For this purpose, we have constructed transistors based on SAMs of two molecules that consist of the organic p-type semiconductor benzothieno[3,2-b][1]benzothiophene (BTBT), linked to a C 11 or C 12 alkylphosphonic acid. Both molecules form ordered SAMs; however, our experiments show that the size of the crystalline domains and the charge-transport properties vary considerably in the two systems. These findings were confirmed by molecular dynamics (MD) simulations and semiempirical molecular-orbital electronic-structure calculations, performed on snapshots from the MD simulations at different times, revealing, in atomistic detail, how the charge transport in organic semiconductors is influenced and limited by dynamic disorder.

Healable supramolecular polymers as organic metals.

PubMed

Armao, Joseph J; Maaloum, Mounir; Ellis, Thomas; Fuks, Gad; Rawiso, Michel; Moulin, Emilie; Giuseppone, Nicolas

2014-08-13

Organic materials exhibiting metallic behavior are promising for numerous applications ranging from printed nanocircuits to large area electronics. However, the optimization of electronic conduction in organic metals such as charge-transfer salts or doped conjugated polymers requires high crystallinity, which is detrimental to their processability. To overcome this problem, the combination of the electronic properties of metal-like materials with the mechanical properties of soft self-assembled systems is attractive but necessitates the absence of structural defects in a regular lattice. Here we describe a one-dimensional supramolecular polymer in which photoinduced through-space charge-transfer complexes lead to highly coherent domains with delocalized electronic states displaying metallic behavior. We also reveal that diffusion of supramolecular polarons in the nanowires repairs structural defects thereby improving their conduction. The ability to access metallic properties from mendable self-assemblies extends the current understanding of both fields and opens a wide range of processing techniques for applications in organic electronics.

Aerodynamic generation of electric fields in turbulence laden with charged inertial particles.

PubMed

Di Renzo, M; Urzay, J

2018-04-26

Self-induced electricity, including lightning, is often observed in dusty atmospheres. However, the physical mechanisms leading to this phenomenon remain elusive as they are remarkably challenging to determine due to the high complexity of the multi-phase turbulent flows involved. Using a fast multi-pole method in direct numerical simulations of homogeneous turbulence laden with hundreds of millions of inertial particles, here we show that mesoscopic electric fields can be aerodynamically created in bi-disperse suspensions of oppositely charged particles. The generation mechanism is self-regulating and relies on turbulence preferentially concentrating particles of one sign in clouds while dispersing the others more uniformly. The resulting electric field varies over much larger length scales than both the mean inter-particle spacing and the size of the smallest eddies. Scaling analyses suggest that low ambient pressures, such as those prevailing in the atmosphere of Mars, increase the dynamical relevance of this aerodynamic mechanism for electrical breakdown.

Radiation transport calculations for cosmic radiation.

PubMed

Endo, A; Sato, T

2012-01-01

The radiation environment inside and near spacecraft consists of various components of primary radiation in space and secondary radiation produced by the interaction of the primary radiation with the walls and equipment of the spacecraft. Radiation fields inside astronauts are different from those outside them, because of the body's self-shielding as well as the nuclear fragmentation reactions occurring in the human body. Several computer codes have been developed to simulate the physical processes of the coupled transport of protons, high-charge and high-energy nuclei, and the secondary radiation produced in atomic and nuclear collision processes in matter. These computer codes have been used in various space radiation protection applications: shielding design for spacecraft and planetary habitats, simulation of instrument and detector responses, analysis of absorbed doses and quality factors in organs and tissues, and study of biological effects. This paper focuses on the methods and computer codes used for radiation transport calculations on cosmic radiation, and their application to the analysis of radiation fields inside spacecraft, evaluation of organ doses in the human body, and calculation of dose conversion coefficients using the reference phantoms defined in ICRP Publication 110. Copyright © 2012. Published by Elsevier Ltd.

Measurement of Reconstructed Charged Particle Multiplicities of Neutrino Interactions in MicroBooNE

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

Rafique, Aleena

2017-09-25

Here, we compare the observed charged particle multiplicity distributions in the MicroBooNE liquid argon time projection chamber from neutrino interactions in a restricted final state phase space to predictions of this distribution from several GENIE models. The measurement uses a data sample consisting of neutrino interactions with a final state muon candidate fully contained within the MicroBooNE detector. These data were collected in 2015-2016 with the Fermilab Booster Neutrino Beam (BNB), which has an average neutrino energy of 800 MeV, using an exposure corresponding to 5e19 protons-on-target. The analysis employs fully automatic event selection and charged particle track reconstruction andmore » uses a data-driven technique to determine the contribution to each multiplicity bin from neutrino interactions and cosmic-induced backgrounds. The restricted phase space employed makes the measurement most sensitive to the higher-energy charged particles expected from primary neutrino-argon collisions and less sensitive to lower energy protons expected to be produced in final state interactions of collision products with the target argon nucleus.« less

Photon excitation enabled large aperture space-charge-controlled potassium tantalate niobate (KTN) beam deflector

NASA Astrophysics Data System (ADS)

Zhu, Wenbin; Chao, Ju-Hung; Chen, Chang-Jiang; Shang, Annan; Lee, Yun Goo; Yin, Shizhuo; Dubinskii, Mark; Hoffman, Robert C.

2018-03-01

To overcome the depth limitation of the space-charge-controlled (SCC) potassium tantalate niobate (KTN) deflectors, we report in this paper a method of increasing the aperture of SCC-KTN deflectors by harnessing the physical mechanism of blue light photon excitation. The experimental results show that the deflection angle can be increased from 0.7 mrad without the blue light excitation to 2.5 mrad with the blue light excitation at a penetration depth of 5 mm under the same external applied voltage, which is consistent with the theoretical analysis. This represents a substantial increase in the deflection angle at a much deeper penetration depth, which can be very useful for applications such as high speed 3D printings and displays.

The compensation of quadrupole errors and space charge effects by using trim quadrupoles

NASA Astrophysics Data System (ADS)

An, YuWen; Wang, Sheng

2011-12-01

The China Spallation Neutron Source (CSNS) accelerators consist of an H-linac and a proton Rapid Cycling Synchrotron (RCS). RCS is designed to accumulate and accelerate proton beam from 80 MeV to 1.6 GeV with a repetition rate of 25 Hz. The main dipole and quadruple magnet will operate in AC mode. Due to the adoption of the resonant power supplies, saturation errors of magnetic field cannot be compensated by power supplies. These saturation errors will disturb the linear optics parameters, such as tunes, beta function and dispersion function. The strong space charge effects will cause emittance growth. The compensation of these effects by using trim quadruples is studied, and the corresponding results are presented.

Femtosecond few- to single-electron point-projection microscopy for nanoscale dynamic imaging

PubMed Central

Bainbridge, A. R.; Barlow Myers, C. W.; Bryan, W. A.

2016-01-01

Femtosecond electron microscopy produces real-space images of matter in a series of ultrafast snapshots. Pulses of electrons self-disperse under space-charge broadening, so without compression, the ideal operation mode is a single electron per pulse. Here, we demonstrate femtosecond single-electron point projection microscopy (fs-ePPM) in a laser-pump fs-e-probe configuration. The electrons have an energy of only 150 eV and take tens of picoseconds to propagate to the object under study. Nonetheless, we achieve a temporal resolution with a standard deviation of 114 fs (equivalent to a full-width at half-maximum of 269 ± 40 fs) combined with a spatial resolution of 100 nm, applied to a localized region of charge at the apex of a nanoscale metal tip induced by 30 fs 800 nm laser pulses at 50 kHz. These observations demonstrate real-space imaging of reversible processes, such as tracking charge distributions, is feasible whilst maintaining femtosecond resolution. Our findings could find application as a characterization method, which, depending on geometry, could resolve tens of femtoseconds and tens of nanometres. Dynamically imaging electric and magnetic fields and charge distributions on sub-micron length scales opens new avenues of ultrafast dynamics. Furthermore, through the use of active compression, such pulses are an ideal seed for few-femtosecond to attosecond imaging applications which will access sub-optical cycle processes in nanoplasmonics. PMID:27158637

SA13B-1900 Auroral Charging of the International Space Station

NASA Technical Reports Server (NTRS)

Minow, Joseph I.; Chandler, Michael O.; Wright, Kenneth H., Jr.

2011-01-01

Electrostatic potential variations of the International Space Station (ISS) relative to the space plasma environment are dominated by interaction of the negatively grounded 160 volt US photovoltaic power system with the plasma environment in sunlight and inductive potential variations across the ISS structure generated by motion of the vehicle across the Earth's magnetic field. Auroral charging is also a source of potential variations because the 51.6? orbital inclination of ISS takes the vehicle to sufficiently high magnetic latitudes to encounter precipitating electrons during geomagnetic storms. Analysis of auroral charging for small spacecraft or isolated insulating regions on ISS predict rapid charging to high potentials of hundreds of volts but it has been thought that the large capacitance of the entire ISS structure on the order of 0.01 F will limit frame potentials to less than a volt when exposed to auroral conditions. We present three candidate auroral charging events characterized by transient ISS structure potentials varying from approximately 2 to 17 volts. The events occur primarily at night when the solar arrays are unbiased and cannot therefore be due to solar array current collection. ISS potential decreases to more negative values during the events indicating electron current collection and the events are always observed at the highest latitudes along the ISS trajectory. Comparison of the events with integral >30 keV electron flux measurements from NOAA TIROS spacecraft demonstrate they occur within regions of precipitating electron flux at levels consistent with the energetic electron thresholds reported for onset of auroral charging of the DMSP and Freja satellites. In contrast to the DMSP and Freja events, one of the ISS charging events occur in sunlight.

Two-dimensional simulation of argon dielectric barrier discharge excited by a Gaussian voltage at atmospheric pressure

NASA Astrophysics Data System (ADS)

Xu, Yonggang; Wang, Jing; Li, Jing; Lei, Bingying; Tang, Jie; Wang, Yishan; Li, Yongfang; Zhao, Wei; Duan, Yixiang

2017-04-01

A two-dimensional self-consistent fluid model was employed to investigate the spatiotemporal characteristics of discharges in atmospheric pressure argon (Ar) dielectric barrier discharge driven by a Gaussian voltage. The simulation results show that a discharge with multiple current pulses occurs each half-cycle in the gas gap. A transition from the Townsend mode to the glow mode is observed with the increasing applied voltage each half-cycle at a lower driving frequency (7.5 kHz). It is also found that the glow mode survives all the discharge phases at a higher driving frequency (12.5 kHz and 40 kHz). The change in the discharge mode with the driving frequency mainly lies in the fact that a lot of charged particles created in the discharge gap have no enough time to drift and diffuse around, and then these particles are assembled in the discharge space at higher frequency. Additionally, the spatial distributions of the electron density indicate that a center-advantage discharge is ignited at the driving frequencies of interest, resulting in the radial non-uniformity of discharge because of the edge effects. However, this overall non-uniformity is weakened with the driving frequency increased to 40 kHz, at which concentric ring patterns are observed. These distinct behaviors are mainly attributed to the fact that many charged particles generated are trapped in the gas gap and then accumulated to make the extension along the radial direction due to the charged particles transport and diffusion, and that the effective overlapping of a large number of avalanches induced by the increased "seed" electron density with the driving frequency. Meanwhile, the surface charged particles accumulated on the dielectric barriers are also shown to play a role in the formation of the discharge structure.

EOS--AM1 Nickel Hydrogen Cell Interim Life Test Report

NASA Technical Reports Server (NTRS)

Bennett, C. W.; Keys, D. J.; Rao, G. M.; Wannemacher, H. E.; Vaidyanathan H.

1999-01-01

This paper reports the interim results of the Earth Observing System AM-1 project (EOS-AM-1) nickel hydrogen cell life test being conducted under contract to National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC) at the Lockheed Martin Missiles and Space (LMMS) facility in East Windsor, NJ; and at COMSAT Labs., Clarksburg, MD. The purpose of the tests is to verify that the EOS-AM-1 cell design can meet five years of real-time Low Earth Orbit (LEO) cycling. The tests include both real-time LEO and accelerated stress tests. At LMMS, the first real-time LEO simulated 99 minute orbital cycle started on February 7, 1994 and the test has been running continuously since that time, with 18202 LEO cycles completed as of September 1, 1997. Each cycle consists of a 64 minute charge (VT at 1.507 volts per cell. 1.06 C/D ratio, followed by 0.6 ampere trickle charge) and a 35 minute constant power discharge at 177 watts (22.5% DOD). At COMSAT, the accelerated stress test consists of 90 minute orbital cycles at 60% DOD with a 30 minute discharge at 60 amperes and a 60 minute charge at 40 amperes (VT at 1.54 volts per cell to 1.09 C/D ratio, followed by 0.6 ampere trickle charge). The real-time LEO life test battery consists of seven, 50AH (nameplate rating) Eagle-Picher, Inc. (EPI) Mantech cells manufactured into three. 3-cell pack assemblies (there are two place holder cells that are not part of the life test electrical circuit). The test pack is configured to simulate the conductive thermal design of the spacecraft battery, including: conductive aluminum sleeves, 3-cell pack aluminum baseplate, and honeycomb panel all mounted to a liquid (-5 C) cold plate. The entire assembly is located in a thermal chamber operatina at +30 C. The accelerated stress test unit consists of five cells mounted in machined aluminum test sleeves and is operating at +10 C. The real-time LEO life test battery has met all performance requirements throuch the first 18,202 cycles, including: end of chargee and discharge cell voltages and voltace -radients; end of charge and discharge cell pressures; within cell and between cell temperature gradients; discharge capacity; current and power levels; and all charge parameters. The accelerated stress test battery has completed 11,998 cycles when the test was terminated. The stress test unit met all test parameters. This paper reports battery performances as a function of cycle life for both the real time LEO and the accelerated life test regimes.

Agreement for NASA/OAST - USAF/AFSC space interdependency on spacecraft environment interaction

NASA Technical Reports Server (NTRS)

Pike, C. P.; Stevens, N. J.

1980-01-01

A joint AF/NASA comprehensive program on spacecraft environment interactions consists of combined contractual and in house efforts aimed at understanding spacecraft environment ineraction phenomena and relating ground test results to space conditions. Activities include: (1) a concerted effort to identify project related environmental interactions; (2) a materials investigation to measure the basic properties of materials and develop or modify materials as needed; and (3) a ground simulation investigation to evaluate basic plasma interaction phenomena and provide inputs to the analytical modeling investigation. Systems performance is evaluated by both ground tests and analysis. There is an environmental impact investigation to determine the effect of future large spacecraft on the charged particle environment. Space flight investigations are planned to verify the results. The products of this program are test standards and design guidelines which summarize the technology, specify test criteria, and provide techniques to minimize or eliminate system interactions with the charged particle environment.

EOS-AM1 Nickel Hydrogen Cell Interim Life Test Report

NASA Technical Reports Server (NTRS)

Bennett, C. W.; Keys, D. J.; Rao, G. M.; Wannemacher, H. E.; Vaidyanathan, H.

1997-01-01

This paper reports the interim results of the Earth Observing System AM-1 project (EOS-AM-1) nickel hydrogen cell life test being conducted under contract to National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC) at the Lockheed Martin Missiles and Space (LMMS) facility in East Windsor, NJ; and at COMSAT Labs., Clarksburg, MD. The purpose of the tests is to verify that the EOS-AM-l cell design can meet five years of real-time Low Earth Orbit (LEO) cycling. The tests include both real-time LEO and accelerated stress tests. At LMMS, the first real-time LEO simulated 99 minute orbital cycle started on February 7, 1994 and the test has been running continuously since that time, with 13000 LEO cycles completed as of September 2, 1996. Each cycle consists of a 64 minute charge (VT at 1.507 volts per cell, 1.06 C/D ratio, followed by 0.6 ampere trickle charge) and a 35 minute constant power discharge at 177 watts (22.5% DOD). At COMSAT, the accelerated stress test consists of 90 minute orbital cycles at 60% DOD with a 30 minute discharge at 60 amperes and a 60 minute charge at 40 ampercs (VT at 1.54 volts per cell to 1.09 C/D ratio, followed by 0.6 ampere trickle charge). The real-time LEO life test battery consists of seven, 50AH (nameplate rating) Eagle-Picher, Inc. (EPI) Mantech cells manufactured into three, 3-cell pack assemblies (there are two place holder cells that are not part of the life test electrical circuit). The test pack is configured to simulate the conductive thermal design of the spacecraft battely, including: conductive aluminum sleeves, 3-cell pack aluminum baseplate, and honeycomb panel all mounted to a liquid (-5 C) cold plate. The entire assembly is located in a thermal chamber operating at +3 C. The accelerated stress test unit consists of five cells mounted in machined aluminum test sleeves and is operating at +10 C. The real-time LEO life test battery has met all performance requirements through the first 13,000 cycles, including: end of charge and discharge cell voltages and voltage gradients; end of chalge and discharge cell pressures; within cell and between cell temperature gradients; discharge capacity; current and power levels; and all chalge parameters. The accelerated stress test battely has completed over 5900 cycles as of 9/11/96. This paper reports both battery performances as a function of cycle life, with individual cell performance comparisons repolted for selected cycles in both tests.

Role of Acoustoelectric Interaction in the Formation of Nanoscale Periodic Structures of Adsorbed Atoms

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

Peleshchak, R. M., E-mail: peleshchak@rambler.ru; Lazurchak, I. I.; Kuzyk, O. V.

The role of acoustoelectric effects in the formation of nanoscale structures of adatoms, resulting from the self-consistent interaction of adatoms with a surface acoustic wave and the electronic subsystem, is studied for the case of charged and uncharged adatoms. It is shown that an increase in the doping level of a semiconductor with donor impurities at a fixed average adatom concentration results in an increase in the critical temperature below which self-organization processes occur.

77 FR 14574 - Self-Regulatory Organizations; Municipal Securities Rulemaking Board; Notice of Filing of...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-03-12

... consisting of twelve consecutive complete month data sets of the documents and related indexing information....\\11\\ The MSRB proposes to charge $10,000 for any twelve consecutive complete month data set for the... data set for the Continuing Disclosure Historical Data Product.\\12\\ In general, no smaller data sets...

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids.

PubMed

Aradi, Bálint; Niklasson, Anders M N; Frauenheim, Thomas

2015-07-14

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born-Oppenheimer molecular dynamics. For systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can be applied to a broad range of problems in materials science, chemistry, and biology.

A self-consistent transport model for molecular conduction based on extended Hückel theory with full three-dimensional electrostatics

NASA Astrophysics Data System (ADS)

Zahid, F.; Paulsson, M.; Polizzi, E.; Ghosh, A. W.; Siddiqui, L.; Datta, S.

2005-08-01

We present a transport model for molecular conduction involving an extended Hückel theoretical treatment of the molecular chemistry combined with a nonequilibrium Green's function treatment of quantum transport. The self-consistent potential is approximated by CNDO (complete neglect of differential overlap) method and the electrostatic effects of metallic leads (bias and image charges) are included through a three-dimensional finite element method. This allows us to capture spatial details of the electrostatic potential profile, including effects of charging, screening, and complicated electrode configurations employing only a single adjustable parameter to locate the Fermi energy. As this model is based on semiempirical methods it is computationally inexpensive and flexible compared to ab initio models, yet at the same time it is able to capture salient qualitative features as well as several relevant quantitative details of transport. We apply our model to investigate recent experimental data on alkane dithiol molecules obtained in a nanopore setup. We also present a comparison study of single molecule transistors and identify electronic properties that control their performance.

Hybrid particle-field molecular dynamics simulation for polyelectrolyte systems.

PubMed

Zhu, You-Liang; Lu, Zhong-Yuan; Milano, Giuseppe; Shi, An-Chang; Sun, Zhao-Yan

2016-04-14

To achieve simulations on large spatial and temporal scales with high molecular chemical specificity, a hybrid particle-field method was proposed recently. This method is developed by combining molecular dynamics and self-consistent field theory (MD-SCF). The MD-SCF method has been validated by successfully predicting the experimentally observable properties of several systems. Here we propose an efficient scheme for the inclusion of electrostatic interactions in the MD-SCF framework. In this scheme, charged molecules are interacting with the external fields that are self-consistently determined from the charge densities. This method is validated by comparing the structural properties of polyelectrolytes in solution obtained from the MD-SCF and particle-based simulations. Moreover, taking PMMA-b-PEO and LiCF3SO3 as examples, the enhancement of immiscibility between the ion-dissolving block and the inert block by doping lithium salts into the copolymer is examined by using the MD-SCF method. By employing GPU-acceleration, the high performance of the MD-SCF method with explicit treatment of electrostatics facilitates the simulation study of many problems involving polyelectrolytes.

Electrostatic Evaluation of the Propellant Handlers Ensemble

NASA Technical Reports Server (NTRS)

Hogue, Michael D.; Calle, Carlos I.; Buhler, Charles

2006-01-01

The Self-Contained Atmospheric Protective Ensemble (SCAPE) used in propellant handling at NASA's Kennedy Space Center (KSC) has recently completed a series of tests to determine its electrostatic properties of the coverall fabric used in the Propellant Handlers Ensemble (PHE). Understanding these electrostatic properties are fundamental to ensuring safe operations when working with flammable rocket propellants such as hydrazine, methyl hydrazine, and unsymmetrical dimethyl hydrazine. These tests include surface resistivity, charge decay, triboelectric charging, and flame incendivity. In this presentation, we will discuss the results of these tests on the current PHE as well as new fabrics and materials being evaluated for the next generation of PHE.

Charge modulation as fingerprints of phase-string triggered interference

NASA Astrophysics Data System (ADS)

Zhu, Zheng; Tian, Chushun; Jiang, Hong-Chen; Qi, Yang; Weng, Zheng-Yu; Zaanen, Jan

2015-07-01

Charge order appears to be an ubiquitous phenomenon in doped Mott insulators, which is currently under intense experimental and theoretical investigations particularly in the high Tc cuprates. This phenomenon is conventionally understood in terms of Hartree-Fock-type mean-field theory. Here we demonstrate a mechanism for charge modulation which is rooted in the many-particle quantum physics arising in the strong coupling limit. Specifically, we consider the problem of a single hole in a bipartite t -J ladder. As a remnant of the fermion signs, the hopping hole picks up subtle phases pending the fluctuating spins, the so-called phase-string effect. We demonstrate the presence of charge modulations in the density matrix renormalization group solutions which disappear when the phase strings are switched off. This form of charge modulation can be understood analytically in a path-integral language with a mean-field-like approximation adopted, showing that the phase strings give rise to constructive interferences leading to self-localization. When the latter occurs, left- and right-moving propagating modes emerge inside the localization volume and their interference is responsible for the real space charge modulation.

Rigorous derivation of electromagnetic self-force

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

Gralla, Samuel E.; Harte, Abraham I.; Wald, Robert M.

2009-07-15

During the past century, there has been considerable discussion and analysis of the motion of a point charge in an external electromagnetic field in special relativity, taking into account 'self-force' effects due to the particle's own electromagnetic field. We analyze the issue of 'particle motion' in classical electromagnetism in a rigorous and systematic way by considering a one-parameter family of solutions to the coupled Maxwell and matter equations corresponding to having a body whose charge-current density J{sup a}({lambda}) and stress-energy tensor T{sub ab}({lambda}) scale to zero size in an asymptotically self-similar manner about a worldline {gamma} as {lambda}{yields}0. In thismore » limit, the charge, q, and total mass, m, of the body go to zero, and q/m goes to a well-defined limit. The Maxwell field F{sub ab}({lambda}) is assumed to be the retarded solution associated with J{sup a}({lambda}) plus a homogeneous solution (the 'external field') that varies smoothly with {lambda}. We prove that the worldline {gamma} must be a solution to the Lorentz force equations of motion in the external field F{sub ab}({lambda}=0). We then obtain self-force, dipole forces, and spin force as first-order perturbative corrections to the center-of-mass motion of the body. We believe that this is the first rigorous derivation of the complete first-order correction to Lorentz force motion. We also address the issue of obtaining a self-consistent perturbative equation of motion associated with our perturbative result, and argue that the self-force equations of motion that have previously been written down in conjunction with the 'reduction of order' procedure should provide accurate equations of motion for a sufficiently small charged body with negligible dipole moments and spin. (There is no corresponding justification for the non-reduced-order equations.) We restrict consideration in this paper to classical electrodynamics in flat spacetime, but there should be no difficulty in extending our results to the motion of a charged body in an arbitrary globally hyperbolic curved spacetime.« less

Self-organized formation of quantum dots of a material on a substrate

DOEpatents

Zhang, Zhenyu; Wendelken, John F.; Chang, Ming-Che; Pai, Woei Wu

2001-01-01

Systems and methods are described for fabricating arrays of quantum dots. A method for making a quantum dot device, includes: forming clusters of atoms on a substrate; and charging the clusters of atoms such that the clusters of atoms repel one another. The systems and methods provide advantages because the quantum dots can be ordered with regard to spacing and/or size.

Flash x-ray generator having a liquid-anode diode

NASA Astrophysics Data System (ADS)

Oizumi, Teiji; Sato, Eiichi; Shikoda, Arimitsu; Sagae, Michiaki; Takahashi, Kei; Tamakawa, Yoshiharu; Yanagisawa, Toru; Ojima, Hidenori; Takayama, Kazuyoshi; Fujiwara, Akihiro; Mitoya, Kanji

1995-05-01

The constructions and the fundamental studies of a flash x-ray generator having a liquid-anode diode are described. This flash x-ray generator consisted of the following essential components: a high-voltage power supply, a high-voltage pulser, a thyratron pulser as a trigger device, an oil diffusion pump, and a flash x-ray tube. The main condenser was negatively charged from 50 to 70 kV by the power supply, and the electric charges in the condenser were discharged to the x-ray tube after closing a gap switch by using the thyratron pulser. The flash x- ray tube was of a diode type having a mercury anode and a ferrite cathode. The pressure of the tube was primarily determined by the steam pressure of mercury as a function of temperature. The maximum output voltage from the pulser was about -1 times the charged voltage. The maximum tube voltage and current were approximately 60 kV and 3 kA, respectively, with a charged voltage of -60 kV and a space between the anode and cathode electrodes (AC space) of 2.0 mm. The pulse widths of flash x rays were about 50 ns, and the x-ray intensity measured by a thermoluminescence dosimeter had a value of about 2.5 (mu) C/kg at 0.3 m per pulse with a charged voltage of -70 kV and an AC space of 1.0 mm.

Mode locking with a compensated space--time astigmatism

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

Christov, I.P.; Stoev, V.D.; Murnane, M.M.

1995-10-15

We present what is to our knowledge the first full spatial plus temporal model of a self-mode-locked titanium-doped sapphire laser. The self-consistent evolution of the pulse toward steady state imposes strong space--time focusing in the crystal, where both the space and time foci are located. This combined focusing significantly improves the discrimination properties of the nonlinear resonator for shorter pulses and reduces the transient stage of pulse formation. Our theoretical results are in very good agreement with experiment. {copyright} {ital 1995} {ital Optical} {ital Society} {ital of} {ital America}.

A space-based climatology of diurnal MLT tidal winds, temperatures and densities from UARS wind measurements

NASA Astrophysics Data System (ADS)

Svoboda, Aaron A.; Forbes, Jeffrey M.; Miyahara, Saburo

2005-11-01

A self-consistent global tidal climatology, useful for comparing and interpreting radar observations from different locations around the globe, is created from space-based Upper Atmosphere Research Satellite (UARS) horizontal wind measurements. The climatology created includes tidal structures for horizontal winds, temperature and relative density, and is constructed by fitting local (in latitude and height) UARS wind data at 95 km to a set of basis functions called Hough mode extensions (HMEs). These basis functions are numerically computed modifications to Hough modes and are globally self-consistent in wind, temperature, and density. We first demonstrate this self-consistency with a proxy data set from the Kyushu University General Circulation Model, and then use a linear weighted superposition of the HMEs obtained from monthly fits to the UARS data to extrapolate the global, multi-variable tidal structure. A brief explanation of the HMEs’ origin is provided as well as information about a public website that has been set up to make the full extrapolated data sets available.

Self-consistent one dimension in space and three dimension in velocity kinetic trajectory simulation model of magnetized plasma-wall transition

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

Chalise, Roshan, E-mail: plasma.roshan@gmail.com; Khanal, Raju

2015-11-15

We have developed a self-consistent 1d3v (one dimension in space and three dimension in velocity) Kinetic Trajectory Simulation (KTS) model, which can be used for modeling various situations of interest and yields results of high accuracy. Exact ion trajectories are followed, to calculate along them the ion distribution function, assuming an arbitrary injection ion distribution. The electrons, on the other hand, are assumed to have a cut-off Maxwellian velocity distribution at injection and their density distribution is obtained analytically. Starting from an initial guess, the potential profile is iterated towards the final time-independent self-consistent state. We have used it tomore » study plasma sheath region formed in presence of an oblique magnetic field. Our results agree well with previous works from other models, and hence, we expect our 1d3v KTS model to provide a basis for the studying of all types of magnetized plasmas, yielding more accurate results.« less

Neoclassical simulation of tokamak plasmas using the continuum gyrokinetic code TEMPEST.

PubMed

Xu, X Q

2008-07-01

We present gyrokinetic neoclassical simulations of tokamak plasmas with a self-consistent electric field using a fully nonlinear (full- f ) continuum code TEMPEST in a circular geometry. A set of gyrokinetic equations are discretized on a five-dimensional computational grid in phase space. The present implementation is a method of lines approach where the phase-space derivatives are discretized with finite differences, and implicit backward differencing formulas are used to advance the system in time. The fully nonlinear Boltzmann model is used for electrons. The neoclassical electric field is obtained by solving the gyrokinetic Poisson equation with self-consistent poloidal variation. With a four-dimensional (psi,theta,micro) version of the TEMPEST code, we compute the radial particle and heat fluxes, the geodesic-acoustic mode, and the development of the neoclassical electric field, which we compare with neoclassical theory using a Lorentz collision model. The present work provides a numerical scheme for self-consistently studying important dynamical aspects of neoclassical transport and electric field in toroidal magnetic fusion devices.

Neoclassical simulation of tokamak plasmas using the continuum gyrokinetic code TEMPEST

NASA Astrophysics Data System (ADS)

Xu, X. Q.

2008-07-01

We present gyrokinetic neoclassical simulations of tokamak plasmas with a self-consistent electric field using a fully nonlinear (full- f ) continuum code TEMPEST in a circular geometry. A set of gyrokinetic equations are discretized on a five-dimensional computational grid in phase space. The present implementation is a method of lines approach where the phase-space derivatives are discretized with finite differences, and implicit backward differencing formulas are used to advance the system in time. The fully nonlinear Boltzmann model is used for electrons. The neoclassical electric field is obtained by solving the gyrokinetic Poisson equation with self-consistent poloidal variation. With a four-dimensional (ψ,θ,γ,μ) version of the TEMPEST code, we compute the radial particle and heat fluxes, the geodesic-acoustic mode, and the development of the neoclassical electric field, which we compare with neoclassical theory using a Lorentz collision model. The present work provides a numerical scheme for self-consistently studying important dynamical aspects of neoclassical transport and electric field in toroidal magnetic fusion devices.

Chamber transport for heavy ion fusion

NASA Astrophysics Data System (ADS)

Olson, Craig L.

2014-01-01

A brief review is given of research on chamber transport for HIF (heavy ion fusion) dating from the first HIF Workshop in 1976 to the present. Chamber transport modes are categorized into ballistic transport modes and channel-like modes. Four major HIF reactor studies are summarized (HIBALL-II, HYLIFE-II, Prometheus-H, OSIRIS), with emphasis on the chamber transport environment. In general, many beams are used to provide the required symmetry and to permit focusing to the required small spots. Target parameters are then discussed, with a summary of the individual heavy ion beam parameters required for HIF. The beam parameters are then classified as to their line charge density and perveance, with special emphasis on the perveance limits for radial space charge spreading, for the space charge limiting current, and for the magnetic (Alfven) limiting current. The major experiments on ballistic transport (SFFE, Sabre beamlets, GAMBLE II, NTX, NDCX) are summarized, with specific reference to the axial electron trapping limit for charge neutralization. The major experiments on channel-like transport (GAMBLE II channel, GAMBLE II self-pinch, LBNL channels, GSI channels) are discussed. The status of current research on HIF chamber transport is summarized, and the value of future NDCX-II transport experiments for the future of HIF is noted.

Applicability of Kerker preconditioning scheme to the self-consistent density functional theory calculations of inhomogeneous systems

NASA Astrophysics Data System (ADS)

Zhou, Yuzhi; Wang, Han; Liu, Yu; Gao, Xingyu; Song, Haifeng

2018-03-01

The Kerker preconditioner, based on the dielectric function of homogeneous electron gas, is designed to accelerate the self-consistent field (SCF) iteration in the density functional theory calculations. However, a question still remains regarding its applicability to the inhomogeneous systems. We develop a modified Kerker preconditioning scheme which captures the long-range screening behavior of inhomogeneous systems and thus improves the SCF convergence. The effectiveness and efficiency is shown by the tests on long-z slabs of metals, insulators, and metal-insulator contacts. For situations without a priori knowledge of the system, we design the a posteriori indicator to monitor if the preconditioner has suppressed charge sloshing during the iterations. Based on the a posteriori indicator, we demonstrate two schemes of the self-adaptive configuration for the SCF iteration.

Persistence length of wormlike micelles composed of ionic surfactants: self-consistent-field predictions.

PubMed

Lauw, Y; Leermakers, F A M; Stuart, M A Cohen

2007-07-19

The persistence length of a wormlike micelle composed of ionic surfactants C(n)E(m)X(k) in an aqueous solvent is predicted by means of the self-consistent-field theory where C(n)E(m) is the conventional nonionic surfactant and X(k) is an additional sequence of k weakly charged (pH-dependent) segments. By considering a toroidal micelle at infinitesimal curvature, we evaluate the bending modulus of the wormlike micelle that corresponds to the total persistence length, consisting of an elastic/intrinsic and an electrostatic contribution. The total persistence length increases with pH and decreases with increasing background salt concentration. We estimate that the electrostatic persistence length l(p,e)(0) scales with respect to the Debye length kappa(-1) as l(p,e)(0) approximately kappa(-p) where p approximately 1.98 for wormlike micelles consisting of C(20)E(10)X(1) surfactants and p approximately 1.54 for wormlike micelles consisting of C(20)E(10)X(2) surfactants. The total persistence length l(p,t)(0) is a weak function of the head group length m but scales with the tail length n as l(p,t)(0) approximately n(x) where x approximately 2-2.6, depending on the corresponding head group length. Interestingly, l(p,t)(0) varies nonmonotonically with the number of charged groups k due to the opposing trends in the electrostatic and elastic bending rigidities upon variation of k.

A Study of the Nature and Origins of Pyroelectricity and Piezoelectricity in Polyvinylidenefluoride and Its Co-Polymers.

DTIC Science & Technology

1980-01-01

OF THIS PAOE(3tn Dea afm 20. Contd. It is possible that space charges are also present in the’film. However, the distribution of space charges in the...the discontinuities so that space charge effects may cause field perturbations. On the other hand, the corona charging procedure may drive ions into...trapped space charge effects; (iv) tunnelling of charge from the electrodes to empty traps; (v) hopping of charge carriers through localized states. The

Theoretical study of the electronic states of newly detected dications. Case of MgS2+ AND SiN2+

NASA Astrophysics Data System (ADS)

Khairat, Toufik; Salah, Mohammed; Marakchi, Khadija; Komiha, Najia

2017-08-01

The dications MgS2+ and SiN2+, experimentally observed by mass spectroscopy, are theoretically studied here. The potential energy curves of the electronic states of the two dications MgS2+ and SiN2+ are mapped and their spectroscopic parameters determined by analysis of the electronic, vibrational and rotational wave functions obtained by using complete active space self-consistent field (CASSCF) calculations, followed by the internally contracted multi-reference configuration interaction (MRCI)+Q associated with the AV5Z correlation consistent atomic orbitals basis sets. In the following, besides the characterization of the potential energy curves, excitation and dissociation energies, spectroscopic constants and a double-ionization spectra of MgS and SiN are determined using the transition moments values and Franck-Condon factors. The electronic ground states of the two dications appear to be of X3∑-nature for MgS2+ and X4∑- for SiN2+ and shows potential wells of about 1.20 eV and 1.40 eV, respectively. Several excited states of these doubly charged molecules also depicted here are slightly bound. The adiabatic double-ionization energies were deduced, at 21.4 eV and 18.4 eV, respectively, from the potential energy curves of the electronic ground states of the neutral and charged species. The neutral molecules, since involved, are also investigated here. From all these results, the experimental lines of the mass spectra of MgS and SiN could be partly assigned.

Charge dynamics of the antiferromagnetically ordered Mott insulator

NASA Astrophysics Data System (ADS)

Han, Xing-Jie; Liu, Yu; Liu, Zhi-Yuan; Li, Xin; Chen, Jing; Liao, Hai-Jun; Xie, Zhi-Yuan; Normand, B.; Xiang, Tao

2016-10-01

We introduce a slave-fermion formulation in which to study the charge dynamics of the half-filled Hubbard model on the square lattice. In this description, the charge degrees of freedom are represented by fermionic holons and doublons and the Mott-insulating characteristics of the ground state are the consequence of holon-doublon bound-state formation. The bosonic spin degrees of freedom are described by the antiferromagnetic Heisenberg model, yielding long-ranged (Néel) magnetic order at zero temperature. Within this framework and in the self-consistent Born approximation, we perform systematic calculations of the average double occupancy, the electronic density of states, the spectral function and the optical conductivity. Qualitatively, our method reproduces the lower and upper Hubbard bands, the spectral-weight transfer into a coherent quasiparticle band at their lower edges and the renormalisation of the Mott gap, which is associated with holon-doublon binding, due to the interactions of both quasiparticle species with the magnons. The zeros of the Green function at the chemical potential give the Luttinger volume, the poles of the self-energy reflect the underlying quasiparticle dispersion with a spin-renormalised hopping parameter and the optical gap is directly related to the Mott gap. Quantitatively, the square-lattice Hubbard model is one of the best-characterised problems in correlated condensed matter and many numerical calculations, all with different strengths and weaknesses, exist with which to benchmark our approach. From the semi-quantitative accuracy of our results for all but the weakest interaction strengths, we conclude that a self-consistent treatment of the spin-fluctuation effects on the charge degrees of freedom captures all the essential physics of the antiferromagnetic Mott-Hubbard insulator. We remark in addition that an analytical approximation with these properties serves a vital function in developing a full understanding of the fundamental physics of the Mott state, both in the antiferromagnetic insulator and at finite temperatures and dopings.

Charged plate in asymmetric electrolytes: One-loop renormalization of surface charge density and Debye length due to ionic correlations.

PubMed

Ding, Mingnan; Lu, Bing-Sui; Xing, Xiangjun

2016-10-01

Self-consistent field theory (SCFT) is used to study the mean potential near a charged plate inside a m:-n electrolyte. A perturbation series is developed in terms of g=4πκb, where band1/κ are Bjerrum length and bare Debye length, respectively. To the zeroth order, we obtain the nonlinear Poisson-Boltzmann theory. For asymmetric electrolytes (m≠n), the first order (one-loop) correction to mean potential contains a secular term, which indicates the breakdown of the regular perturbation method. Using a renormalizaton group transformation, we remove the secular term and obtain a globally well-behaved one-loop approximation with a renormalized Debye length and a renormalized surface charge density. Furthermore, we find that if the counterions are multivalent, the surface charge density is renormalized substantially downwards and may undergo a change of sign, if the bare surface charge density is sufficiently large. Our results agrees with large MC simulation even when the density of electrolytes is relatively high.

Compton scattering collision module for OSIRIS

NASA Astrophysics Data System (ADS)

Del Gaudio, Fabrizio; Grismayer, Thomas; Fonseca, Ricardo; Silva, Luís

2017-10-01

Compton scattering plays a fundamental role in a variety of different astrophysical environments, such as at the gaps of pulsars and the stagnation surface of black holes. In these scenarios, Compton scattering is coupled with self-consistent mechanisms such as pair cascades. We present the implementation of a novel module, embedded in the self-consistent framework of the PIC code OSIRIS 4.0, capable of simulating Compton scattering from first principles and that is fully integrated with the self-consistent plasma dynamics. The algorithm accounts for the stochastic nature of Compton scattering reproducing without approximations the exchange of energy between photons and unbound charged species. We present benchmarks of the code against the analytical results of Blumenthal et al. and the numerical solution of the linear Kompaneets equation and good agreement is found between the simulations and the theoretical models. This work is supported by the European Research Council Grant (ERC- 2015-AdG 695088) and the Fundao para a Céncia e Tecnologia (Bolsa de Investigao PD/BD/114323/2016).

Self-consistent perturbation theory for two dimensional twisted bilayers

NASA Astrophysics Data System (ADS)

Shirodkar, Sharmila N.; Tritsaris, Georgios A.; Kaxiras, Efthimios

Theoretical modeling and ab-initio simulations of two dimensional heterostructures with arbitrary angles of rotation between layers involve unrealistically large and expensive calculations. To overcome this shortcoming, we develop a methodology for weakly interacting heterostructures that treats the effect of one layer on the other as perturbation, and restricts the calculations to their primitive cells. Thus, avoiding computationally expensive supercells. We start by approximating the interaction potential between the twisted bilayers to that of a hypothetical configuration (viz. ideally stacked untwisted layers), which produces band structures in reasonable agreement with full-scale ab-initio calculations for commensurate and twisted bilayers of graphene (Gr) and Gr/hexagonal boron nitride (h-BN) heterostructures. We then self-consistently calculate the charge density and hence, interaction potential of the heterostructures. In this work, we test our model for bilayers of various combinations of Gr, h-BN and transition metal dichalcogenides, and discuss the advantages and shortcomings of the self-consistently calculated interaction potential. Department of Physics, Harvard University, Cambridge, Massachusetts 02138, USA.

Self-consistent theory of nanodomain formation on non-polar surfaces of ferroelectrics

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

Morozovska, Anna N.; Obukhovskii, Vyacheslav; Fomichov, Evhen

2016-04-28

We propose a self-consistent theoretical approach capable of describing the features of the anisotropic nanodomain formation induced by a strongly inhomogeneous electric field of a charged scanning probe microscopy tip on nonpolar cuts of ferroelectrics. We obtained that a threshold field, previously regarded as an isotropic parameter, is an anisotropic function that is specified from the polar properties and lattice pinning anisotropy of a given ferroelectric in a self-consistent way. The proposed method for the calculation of the anisotropic threshold field is not material specific, thus the field should be anisotropic in all ferroelectrics with the spontaneous polarization anisotropy alongmore » the main crystallographic directions. The most evident examples are uniaxial ferroelectrics, layered ferroelectric perovskites, and low-symmetry incommensurate ferroelectrics. Obtained results quantitatively describe the differences at several times in the nanodomain length experimentally observed on X and Y cuts of LiNbO3 and can give insight into the anisotropic dynamics of nanoscale polarization reversal in strongly inhomogeneous electric fields.« less

Self-consistent average-atom scheme for electronic structure of hot and dense plasmas of mixture.

PubMed

Yuan, Jianmin

2002-10-01

An average-atom model is proposed to treat the electronic structures of hot and dense plasmas of mixture. It is assumed that the electron density consists of two parts. The first one is a uniform distribution with a constant value, which is equal to the electron density at the boundaries between the atoms. The second one is the total electron density minus the first constant distribution. The volume of each kind of atom is proportional to the sum of the charges of the second electron part and of the nucleus within each atomic sphere. By this way, one can make sure that electrical neutrality is satisfied within each atomic sphere. Because the integration of the electron charge within each atom needs the size of that atom in advance, the calculation is carried out in a usual self-consistent way. The occupation numbers of electron on the orbitals of each kind of atom are determined by the Fermi-Dirac distribution with the same chemical potential for all kinds of atoms. The wave functions and the orbital energies are calculated with the Dirac-Slater equations. As examples, the electronic structures of the mixture of Au and Cd, water (H2O), and CO2 at a few temperatures and densities are presented.

Charge retention behavior of preferentially oriented and textured Bi3.25La0.75Ti3O12 thin films by electrostatic force microscopy

NASA Astrophysics Data System (ADS)

Kim, T. Y.; Lee, J. H.; Oh, Y. J.; Choi, M. R.; Jo, W.

2007-02-01

The authors report charge retention in preferentially (117) oriented and textured c-axis oriented ferroelectric Bi3.25La0.75Ti3O12 thin films by electrostatic force microscopy. Surface charges of the films were observed as a function of time in a selected area which consists of a single-poled region and a reverse-poled region. The highly (117) oriented film shows the extended exponential decay with characteristic scaling exponents, n =1.5-1.6. The preferentially c-axis oriented film shows a remarkable retained behavior regardless of the poling. Decay and retention mechanisms of the regions are explained by space-charge redistribution and trapping of defects in the films.

Numerical quasi-linear study of the critical ionization velocity phenomenon

NASA Technical Reports Server (NTRS)

Moghaddam-Taaheri, E.; Goertz, C. K.

1993-01-01

The critical ionization velocity (CIV) for a neutral barium (Ba) gas cloud moving across the static magnetic field is studied numerically using quasi-linear equations and a parameter range which is typical for the shaped-charge Ba gas release experiments in space. For consistency the charge exchange between the background oxygen ions and neutral atoms and its reverse process, as well as the excitation of the neutral Ba atoms, are included. The numerical results indicate that when the ionization rate due to CIV becomes comparable to the charge exchange rate the energy lost to the ionization and excitation collisions by the superthermal electrons exceeds the energy gain from the waves that are excited by the ion beam. This results in a CIV yield less than the yield by the charge exchange process.

Polarization and interface charge coupling in ferroelectric/AlGaN/GaN heterostructure

NASA Astrophysics Data System (ADS)

Zhang, Min; Kong, Yuechan; Zhou, Jianjun; Xue, Fangshi; Li, Liang; Jiang, Wenhai; Hao, Lanzhong; Luo, Wenbo; Zeng, Huizhong

2012-03-01

Asymmetrical shift behaviors of capacitance-voltage (C-V) curve with opposite direction are observed in two AlGaN/GaN metal-ferroelectric-semiconductor (MFS) heterostructures with Pb(Zr,Ti)O3 and LiNbO3 gate dielectrics. By incorporating the switchable polar nature of the ferroelectric into a self-consistent calculation, the coupling effect between the ferroelectric and the interface charges is disclosed. The opposite initial orientation of ferroelectric dipoles determined by the interface charges is essentially responsible for the different C-V characteristics. A critical fixed charge density of -1.27 × 1013cm-2 is obtained, which plays a key role in the dependence of the C-V characteristic on the ferroelectric polarization. The results pave the way for design of memory devices based on MFS structure with heteropolar interface.

Modelling the competition between photo-darkening and photo-bleaching effects in high-power ytterbium-doped fibre amplifiers

NASA Astrophysics Data System (ADS)

Jolly, A.; Vinçont, C.; Pierre, Ch.; Boullet, J.

2017-08-01

We propose an innovative, fully space-time model to take into account the seed-dependent nature of ageing penalties in high-power ytterbium-doped fibre amplifiers. Ageing is shown to be based on the on-going competition between photo-darkening and photo-bleaching phenomena. Our approach is based on the natural interplay between the excited states of co-existing ytterbium pairs and colour centres in highly doped fibres, in the presence of thermal coupling between the closely spaced excited states. As initiated from IR photons, the excitation of colour centres up to the UV band is supposed to be governed by multi-photon absorption. The interactions of interest in the kinetics of photo-bleaching then take the form of highly efficient charge transfers, which imply the reduction of some fraction of the basically trivalent ions to their divalent state. Due to the activation of ytterbium pairs by means of energy transfer up-conversion, these interactions get more and more effective at elevated operating powers. Computational results using these principles actually help to fit our experimental data regarding seeding effects, as well as fully generic trends already evidenced in the literature. This gives a fine demonstration for the need to discriminate co-active pump and signal contributions. Our self-consistent, still simplified model then consists of a valuable tool to help for a deeper understanding of the ageing issues. Furthermore, considering higher-order ytterbium aggregates, this should open new routes towards more comprehensive models.

Failures and anomalies attributed to spacecraft charging

NASA Technical Reports Server (NTRS)

Leach, R. D.; Alexander, M. B. (Editor)

1995-01-01

The effects of spacecraft charging can be very detrimental to electronic systems utilized in space missions. Assuring that subsystems and systems are protected against charging is an important engineering function necessary to assure mission success. Spacecraft charging is expected to have a significant role in future space activities and programs. Objectives of this reference publication are to present a brief overview of spacecraft charging, to acquaint the reader with charging history, including illustrative cases of charging anomalies, and to introduce current spacecraft charging prevention activities of the Electromagnetics and Environments Branch, Marshall Space Flight Center (MSFC), National Aeronautics and Space Administration (NASA).

Voltage Profiles for the Lead-Acid Cell: Experiment and Theory

NASA Astrophysics Data System (ADS)

Haaser, Robert; Ross, Joseph H.; Saslow, Wayne M.

1999-10-01

Using platinum electrodes we have measured the voltage profile in space across a lead-acid cell, for slow, steady processes. Once in the slow, steady charge or discharge regime, the experimental voltage profile is quadratic, as predicted by recent theory.^1 However, even without current flow, in the slow, steady regime the voltage profile also is quadratic, rather than a straight line with zero slope. This other quadratic voltage profile is due to nonfaradaic chemical reactions at the working electrodes, which slowly discharge the cell without drawing any current. Such a quadratic voltage profile follows from theory. The voltage jump profiles (change in voltage profile on sudden change in current) on starting or ending a charge or discharge, are linear in space, with slope consistent with the measured resistivity of battery acid. This is as expected if charge on the electrodes, but not in the electrolyte, has time to move. 1. W.M.Saslow, Phys.Rev.Lett.76, 4849 (1996).

Space charge effect in spectrometers of ion mobility increment with cylindrical drift chamber.

PubMed

Elistratov, A A; Sherbakov, L A

2007-01-01

We have amplified the model for the drift of ions under a non-uniform high-frequency electric field by taking space charge effect into account. By this means, we have investigated the effect of space charge on the dynamics of a single type of ions in a spectrometer of ion mobility increment with a cylindrical drift chamber. The counteraction of the space charge effect and the focusing effect is investigated. The output ion current saturation caused by the effect of the space charge is observed. The shape of the ion peak taking into consideration the space charge effect has been obtained. We show that the effect of the space charge is sufficient for the relative ion density greater than 10 ppt by order of magnitude (for a cylindrical geometry spectrometer with typical parameters).

Start-up capabilities of photovoltaic module for the International Space Station

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

Hajela, G.; Hague, L.

1997-12-31

The International Space Station (ISS) uses four photovoltaic modules (PVMs) to supply electric power for the US On-Orbit Segment (USOS). The ISS is assembled on orbit over a period of about 5 years and over 40 stages. PVMs are launched and integrated with the ISS at different times during the ISS assembly. During early stages, the electric power is provided by the integrated truss segment (ITS) P6; subsequently, ITS P4, S4, and S6 are launched. PVMs are launched into space in the National Space Transportation System (NSTS) cargo bay. Each PVM consists of two independent power channels. The NSTS docksmore » with the ISS, the PVM is removed from the cargo bay and installed on the ISS. At this stage the PVM is in stowed configuration and its batteries are in fully discharged state. The start-up consists of initialization and checkout of all hardware, deployment of SAW and photovoltaic radiator (PVR), thermal conditioning batteries, and charging batteries; not necessarily in the same order for all PVMs. PVMs are designed to be capable of on-orbit start-up, within a specified time period, when external power is applied to a specified electrical interface. This paper describes the essential steps required for PVM start-up and how these operations are performed for various PVMs. The integrated operations scenarios (IOS) prepared by the NASA, Johnson Space Center, details specific procedures and timelines for start-up of each PVM. The paper describes how dormant batteries are brought to their normal operating temperature range and then charged to 100% state of charge (SOC). Total time required to complete start-up is computed and compared to the IOS timelines. External power required during start-up is computed and compared to the requirements and/or available power on ISS. Also described is how these start-up procedures can be adopted for restart of PVMs when required.« less

Stochastic approach and fluctuation theorem for charge transport in diodes

NASA Astrophysics Data System (ADS)

Gu, Jiayin; Gaspard, Pierre

2018-05-01

A stochastic approach for charge transport in diodes is developed in consistency with the laws of electricity, thermodynamics, and microreversibility. In this approach, the electron and hole densities are ruled by diffusion-reaction stochastic partial differential equations and the electric field generated by the charges is determined with the Poisson equation. These equations are discretized in space for the numerical simulations of the mean density profiles, the mean electric potential, and the current-voltage characteristics. Moreover, the full counting statistics of the carrier current and the measured total current including the contribution of the displacement current are investigated. On the basis of local detailed balance, the fluctuation theorem is shown to hold for both currents.

CPRIT/Johnson Space Center, September, 2011 (Cancer Prevention and Research Institute of Texas)

NASA Technical Reports Server (NTRS)

Davis, Jeffrey; Lane, Helen; Baker, Tracey; Cucinotta, Francis; Wu, Honglu

2011-01-01

JSC researchers study carcinogenesis, cancer prevention and treatment along with epidemiological (primarily retrospective and longitudinal) studies, modeling, and interactions with the environment such as radiation, nutritional, and endocrine changes related to space flight along with behaviors such as smoking. Cancer research is a major focus for human space flight due to the exposure to space radiation which consists of particles of varying charges and energies, and secondary neutrons. The JSC laboratories collaborate with investigators from the U.S. as well as our European and Japanese partners. We use accelerator facilities at the Brookhaven National Laboratory, Loma Linda University and Los Alamos National Laboratory that generate high energy charged particles and neutrons to simulate cosmic radiation and solar particle events. The research using cultured cells and animals concentrates on damage and repair from the level of DNA to organ tissues, due to exposure to simulated space radiation exposure, that contribute to the induction of leukemia and solid tumors in most major tissues such as lung, colon, liver and breast. The goal of the research is to develop a mathematical model that can predict cancer morbidity and mortality risks with sufficient accuracy for a given space mission.

Immediate estimation of correlation energy for molecular systems from the partial charges on atoms in the molecule

NASA Astrophysics Data System (ADS)

Kristyán, Sándor

1997-11-01

In the author's previous work (Chem. Phys. Lett. 247 (1995) 101 and Chem. Phys. Lett. 256 (1996) 229) a simple quasi-linear relationship was introduced between the number of electrons, N, participating in any molecular system and the correlation energy: -0.035 ( N - 1) > Ecorr[hartree] > - 0.045( N -1). This relationship was developed to estimate more accurately correlation energy immediately in ab initio calculations by using the partial charges of atoms in the molecule, easily obtained after Hartree-Fock self-consistent field (HF-SCF) calculations. The method is compared to the well-known B3LYP, MP2, CCSD and G2M methods. Correlation energy estimations for negatively (-1) charged atomic ions are also reported.

The argon nuclear quadrupole moments

NASA Astrophysics Data System (ADS)

Sundholm, Dage; Pyykkö, Pekka

2018-07-01

New standard values -116(2) mb and 76(3) mb are suggested for the nuclear quadrupole moments (Q) of the 39Ar and 37Ar nuclei, respectively. The Q values were obtained by combining optical measurements of the quadrupole coupling constant (B or eqQ/h) of the 3s23p54s[3/2]2 (3Po) and 3s23p54p[5/2]3 (3De) states of argon with large scale numerical complete active space self-consistent field and restricted active space self-consistent field calculations of the electric field gradient at the nucleus (q) using the LUCAS code, which is a finite-element based multiconfiguration Hartree-Fock program for atomic structure calculations.

Ion imaging study of dissociative charge transfer in the N{sub 2}{sup +}+ CH{sub 4} system

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

Pei Linsen; Farrar, James M.

The velocity map ion imaging method is applied to the dissociative charge transfer reactions of N{sub 2}{sup +} with CH{sub 4} studied in crossed beams. The velocity space images are collected at four collision energies between 0.5 and 1.5 eV, providing both product kinetic energy and angular distributions for the reaction products CH{sub 3}{sup +} and CH{sub 2}{sup +}. The general shapes of the images are consistent with long range electron transfer from CH{sub 4} to N{sub 2}{sup +} preceding dissociation, and product kinetic energy distributions are consistent with energy resonance in the initial electron transfer step. The branching ratiomore » for CH{sub 3}{sup +}:CH{sub 2}{sup +} is 85:15 over the full collision energy range, consistent with literature reports.« less

The influence of space charge shielding on dielectric multipactor

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

Chang, C.; Liu, G. Z.; Tang, C. X.

2009-05-15

A model of space charge influenced by multipactor electrons and plasma has been established. The positive space charge potential/field for vacuum dielectric multipactor is analytically studied. After considering the plasma, the positive space charge field is further shielded, and multipactor saturates at higher surface accumulated field, compared with that for only considering multipactor electrons. The negative space charge potential/field for dielectric breakdown at high pressure is analyzed. It is found that the negative potential can be nonmonotonously varied, forming a minimum potential well.

Two dimensional model for coherent synchrotron radiation

NASA Astrophysics Data System (ADS)

Huang, Chengkun; Kwan, Thomas J. T.; Carlsten, Bruce E.

2013-01-01

Understanding coherent synchrotron radiation (CSR) effects in a bunch compressor requires an accurate model accounting for the realistic beam shape and parameters. We extend the well-known 1D CSR analytic model into two dimensions and develop a simple numerical model based on the Liénard-Wiechert formula for the CSR field of a coasting beam. This CSR numerical model includes the 2D spatial dependence of the field in the bending plane and is accurate for arbitrary beam energy. It also removes the singularity in the space charge field calculation present in a 1D model. Good agreement is obtained with 1D CSR analytic result for free electron laser (FEL) related beam parameters but it can also give a more accurate result for low-energy/large spot size beams and off-axis/transient fields. This 2D CSR model can be used for understanding the limitation of various 1D models and for benchmarking fully electromagnetic multidimensional particle-in-cell simulations for self-consistent CSR modeling.

A model and simulation of fast space charge pulses in polymers

NASA Astrophysics Data System (ADS)

Lv, Zepeng; Rowland, Simon M.; Wu, Kai

2017-11-01

The transport of space charge packets across polyethylene and epoxy resin in high electric fields has been characterized as fast or slow depending on packet mobility. Several explanations for the formation and transport of slow space charge packets have been proposed, but the origins of fast space charge pulses, with mobilities above 10-11 m2 V-1 s-1, are unclear. In one suggested model, it is assumed that the formation of fast charge pulses is due to discontinuous electromechanical compression and charge injection at the electrode-insulation interface, and their transport is related to corresponding relaxation processes. In that model, charges travel as a pulse because of group polarization. This paper provides an alternative model based on the reduction of charge carrier activation energy due to charge density triggered polymer chain movement and subsequent chain relaxation times. The generation and transport of fast charge pulses are readily simulated by a bipolar charge transport model with three additional parameters: reduced activation energy, charge density threshold, and chain relaxation time. Such a model is shown to reproduce key features of fast space charge pulses including speed, duration, repetition rate and pulse size. This model provides the basis for a deep understanding of the physical origins of fast space charge pulses in polymers.

Flexible MXene/Graphene Films for Ultrafast Supercapacitors with Outstanding Volumetric Capacitance

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

Yan, Jun; Ren, Chang E.; Maleski, Kathleen

A strategy to prepare flexible and conductive MXene/graphene (reduced graphene oxide, rGO) supercapacitor electrodes by using electrostatic self-assembly between positively charged rGO modified with poly(diallyldimethylammonium chloride) and negatively charged titanium carbide MXene nanosheets is presented. After electrostatic assembly, rGO nanosheets are inserted in-between MXene layers. As a result, the self-restacking of MXene nanosheets is effectively prevented, leading to a considerably increased interlayer spacing. Accelerated diffusion of electrolyte ions enables more electroactive sites to become accessible. The freestanding MXene/rGO-5 wt% electrode displays a volumetric capacitance of 1040 F cm –3 at a scan rate of 2 mV s –1, an impressivemore » rate capability with 61% capacitance retention at 1 V s –1 and long cycle life. Moreover, the fabricated binder-free symmetric supercapacitor shows an ultrahigh volumetric energy density of 32.6 Wh L –1, which is among the highest values reported for carbon and MXene based materials in aqueous electrolytes. Furthermore, this work provides fundamental insight into the effect of interlayer spacing on the electrochemical performance of 2D hybrid materials and sheds light on the design of next-generation flexible, portable and highly integrated supercapacitors with high volumetric and rate performances.« less

Theoretical analysis and simulation of the influence of self-bunching effects and longitudinal space charge effects on the propagation of keV electron bunch produced by a novel S-band Micro-Pulse electron Gun

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

Zhao, Jifei; Lu, Xiangyang, E-mail: xylu@pku.edu.cn; Yang, Ziqin

As an important electron source, Micro-Pulse electron Gun (MPG) which is qualified for producing high average current, short pulse, low emittance electron bunches steadily holds promise to use as an electron source of Coherent Smith-Purcell Radiation (CSPR), Free Electron Laser (FEL). The stable output of S-band MPG has been achieved in many labs. To establish reliable foundation for the future application of it, the propagation of picosecond electron bunch produced by MPG should be studied in detail. In this article, the MPG which was working on the rising stage of total effective Secondary Electron Yield (SEY) curve was introduced. Themore » self-bunching mechanism was discussed in depth both in the multipacting amplifying state and the steady working state. The bunch length broadening induced by the longitudinal space-charge (SC) effects was investigated by different theoretical models in different regions. The 2D PIC codes MAGIC and beam dynamic codes TraceWin simulations were also performed in the propagation. The result shows an excellent agreement between the simulation and the theoretical analysis for bunch length evolution.« less

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

Borreguero, Jose M.; Pincus, Philip A.; Sumpter, Bobby G.

Structure–property relationships of ionic block copolymer (BCP) surfactant complexes are critical toward the progress of favorable engineering design of efficient charge-transport materials. In this paper, molecular dynamics simulations are used to understand the dynamics of charged-neutral BCP and surfactant complexes. The dynamics are examined for two different systems: charged-neutral double-hydrophilic and hydrophobic–hydrophilic block copolymers with oppositely charged surfactant moieties. The dynamics of the surfactant head, tails, and charges are studied for five different BCP volume fractions. We observe that the dynamics of the different species solely depend on the balance between electrostatic and entropic interactions between the charged species andmore » the neutral monomers. The favorable hydrophobic–hydrophobic interactions and the unfavorable hydrophobic–hydrophilic interactions determine the mobilities of the monomers. The dynamical properties of the charge species influence complex formation. Structural relaxations exhibit length-scale dependent behavior, with slower relaxation at the radius of gyration length-scale and faster relaxation at the segmental length-scale, consistent with previous results. The dynamical analysis correlates ion-exchange kinetics to the self-assembly behavior of the complexes.« less

Strong and weak adsorptions of polyelectrolyte chains onto oppositely charged spheres

NASA Astrophysics Data System (ADS)

Cherstvy, A. G.; Winkler, R. G.

2006-08-01

We investigate the complexation of long thin polyelectrolyte (PE) chains with oppositely charged spheres. In the limit of strong adsorption, when strongly charged PE chains adapt a definite wrapped conformation on the sphere surface, we analytically solve the linear Poisson-Boltzmann equation and calculate the electrostatic potential and the energy of the complex. We discuss some biological applications of the obtained results. For weak adsorption, when a flexible weakly charged PE chain is localized next to the sphere in solution, we solve the Edwards equation for PE conformations in the Hulthén potential, which is used as an approximation for the screened Debye-Hückel potential of the sphere. We predict the critical conditions for PE adsorption. We find that the critical sphere charge density exhibits a distinctively different dependence on the Debye screening length than for PE adsorption onto a flat surface. We compare our findings with experimental measurements on complexation of various PEs with oppositely charged colloidal particles. We also present some numerical results of the coupled Poisson-Boltzmann and self-consistent field equation for PE adsorption in an assembly of oppositely charged spheres.

Electrostatic energy and screened charge interaction near the surface of metals with different Fermi surface shape

NASA Astrophysics Data System (ADS)

Gabovich, A. M.; Il'chenko, L. G.; Pashitskii, E. A.; Romanov, Yu. A.

1980-04-01

Using the Poisson equation Green function for a self-consistent field in a spatially inhomogeneous system, expressions for the electrostatic energy and screened charge interaction near the surface of a semi-infinite metal and a thin quantizing film are derived. It is shown that the decrease law and Friedel oscillation amplitude of adsorbed atom indirect interaction are determined by the electron spectrum character and the Fermi surface shape. The results obtained enable us to explain, in particular, the submonolayer adsorbed film structure on the W and Mo surfaces.

Characterisation of retention properties of charge-trapping memory cells at low temperatures

NASA Astrophysics Data System (ADS)

Yurchuk, E.; Bollmann, J.; Mikolajick, T.

2009-09-01

The density of states of deep level centers in silicon oxynitride layer of SONOS memory cells are calculated from temperature dependent retention measurement. The dominating charge loss mechanisms are direct trap-to-band tunneling (TB) and thermally stimulated emission (TE). Retention measurements at low temperatures (80 - 300K) will be dominated by TE from more "shallow" traps with energies below 1eV and by TB. Taking into account both independent and rival processes the density of states could be calculated self consisting. The results are in excellent agreement with elsewhere published data.

Operation regimes of a dielectric laser accelerator

NASA Astrophysics Data System (ADS)

Hanuka, Adi; Schächter, Levi

2018-04-01

We investigate three operation regimes in dielectric laser driven accelerators: maximum efficiency, maximum charge, and maximum loaded gradient. We demonstrate, using a self-consistent approach, that loaded gradients of the order of 1 to 6 [GV/m], efficiencies of 20% to 80%, and electrons flux of 1014 [el/s] are feasible, without significant concerns regarding damage threshold fluence. The latter imposes that the total charge per squared wavelength is constant (a total of 106 per μm2). We conceive this configuration as a zero-order design that should be considered for the road map of future accelerators.

Spacecraft Charging and Auroral Boundary Predictions in Low Earth Orbit

NASA Technical Reports Server (NTRS)

Minow, Joseph I.

2016-01-01

Auroral charging of spacecraft is an important class of space weather impacts on technological systems in low Earth orbit. In order for space weather models to accurately specify auroral charging environments, they must provide the appropriate plasma environment characteristics responsible for charging. Improvements in operational space weather prediction capabilities relevant to charging must be tested against charging observations.

Self assembly of oppositely charged latex particles at oil-water interface.

PubMed

Nallamilli, Trivikram; Ragothaman, Srikanth; Basavaraj, Madivala G

2017-01-15

In this study we explore the self assembly of oppositely charged latex particles at decane water interfaces. Two spreading protocols have been proposed in this context. In the first method oppositely charged particles are mixed prior to spreading at the interface, this is called "premixed-mixtures". In the second protocol negatively charged particles are first spread at the interface at known coverage followed by spreading positively charged particles at known coverage and this is called "sequential-mixtures". In premixed mixtures depending on particle mixing ratio (composition) and total surface coverage a number of 2d structures ranging from 2d crystals, aggregate-crystal coexistence and 2d-gels are observed. A detailed phase diagram of this system has been explored. In sequential-mixtures for the first time we observed a new phase in colloidal monolayers called 2d-bi crystalline domains. These structures consisted regions of two crystal phases of oppositely charged particles separated by a one dimensional chain of alternating positive and negative particles. Phase diagram of this system has also been explored at various combinations of first spread and second spread particles. A possible mechanism leading to formation of these 2d bi crystalline structures has been discussed. A direct visualization of breakage and reformation of particle barriers separating the crystal phases has been demonstrated through videos. Effect of salt in the water sub phase and particle hydrophobicity on domain formation is also investigated. Copyright © 2016 Elsevier Inc. All rights reserved.

NO Removal with Repetitive Discharges Caused by Reciprocal Traveling Wave Voltage Pulse in a Coaxial Cable

NASA Astrophysics Data System (ADS)

Yamaga, Keisuke; Kadowaki, Kazunori; Nishimoto, Sakae; Kitani, Isamu

This paper describes experimental results of NO removal using barrier discharges produced by a reciprocal pulse generator. When a coaxial cable is charged and then grounded at one end of the cable without any resistance, a reciprocal traveling voltage pulse is repeatedly applied to a barrier-type reactor at the opposite end with a change in its polarity. 50% streamer initiation voltage for the reciprocal pulse generator was much smaller than that with the self-matched pulse generator having a matching resistance. The reason for the low initiation voltage in the reciprocal pulse was that space charges which accumulated on the barrier surface during cable charging had an effect on field enhancement in the reactor after the first polarity reversal. High speed photographs of discharge light produced by the reciprocal pulse showed that the voltage oscillation caused by one switching induced alternate propagation of positive and negative streamers with a very high frequency. In measurements of NO concentration, the reciprocal pulse generator gave a better performance for NO removal ratio than the self-matched pulse generator even though the stored energy in the recipocal pulse generator was very low.

Underestimated role of the secondary electron emission in the space

NASA Astrophysics Data System (ADS)

Nemecek, Zdenek; Richterova, Ivana; Safrankova, Jana; Pavlu, Jiri; Vaverka, Jakub; Nouzak, Libor

2016-07-01

Secondary electron emission (SEE) is one of many processes that charges surfaces of bodies immersed into a plasma. Until present, a majority of considerations in theories and experiments is based on the sixty year old description of an interaction of planar metallic surfaces with electrons, thus the effects of a surface curvature, roughness, presence of clusters as well as an influence of the material conductance on different aspects of this interaction are neglected. Dust grains or their clusters can be frequently found in many space environments - interstellar clouds, atmospheres of planets, tails of comets or planetary rings are only typical examples. The grains are exposed to electrons of different energies and they can acquire positive or negative charge during this interaction. We review the progress in experimental investigations and computer simulations of the SEE from samples relevant to space that was achieved in course of the last decade. We present a systematic study of well-defined systems that starts from spherical grains of various diameters and materials, and it continues with clusters consisting of different numbers of small spherical grains that can be considered as examples of real irregularly shaped space grains. The charges acquired by investigated objects as well as their secondary emission yields are calculated using the SEE model. We show that (1) the charge and surface potential of clusters exposed to the electron beam are influenced by the number of grains and by their geometry within a particular cluster, (2) the model results are in an excellent agreement with the experiment, and (3) there is a large difference between charging of a cluster levitating in the free space and that attached to a planar surface. The calculation provides a reduction of the secondary electron emission yield of the surface covered by dust clusters by a factor up to 1.5 with respect to the yield of a smooth surface. (4) These results are applied on charging of the lunar surface and the dust grains levitating above it, and it is shown that the SEE is more important for isolated dust grains than for the lunar surface covered by them.

Two particle model for studying the effects of space-charge force on strong head-tail instabilities

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

Chin, Yong Ho; Chao, Alexander Wu; Blaskiewicz, Michael M.

In this paper, we present a new two particle model for studying the strong head-tail instabilities in the presence of the space-charge force. It is a simple expansion of the well-known two particle model for strong head-tail instability and is still analytically solvable. No chromaticity effect is included. It leads to a formula for the growth rate as a function of the two dimensionless parameters: the space-charge tune shift parameter (normalized by the synchrotron tune) and the wakefield strength, Upsilon. The three-dimensional contour plot of the growth rate as a function of those two dimensionless parameters reveals stopband structures. Manymore » simulation results generally indicate that a strong head-tail instability can be damped by a weak space-charge force, but the beam becomes unstable again when the space-charge force is further increased. The new two particle model indicates a similar behavior. In weak space-charge regions, additional tune shifts by the space-charge force dissolve the mode coupling. As the space-charge force is increased, they conversely restore the mode coupling, but then a further increase of the space-charge force decouples the modes again. Lastly, this mode coupling/decoupling behavior creates the stopband structures.« less

Two particle model for studying the effects of space-charge force on strong head-tail instabilities

DOE PAGES

Chin, Yong Ho; Chao, Alexander Wu; Blaskiewicz, Michael M.

2016-01-19

In this paper, we present a new two particle model for studying the strong head-tail instabilities in the presence of the space-charge force. It is a simple expansion of the well-known two particle model for strong head-tail instability and is still analytically solvable. No chromaticity effect is included. It leads to a formula for the growth rate as a function of the two dimensionless parameters: the space-charge tune shift parameter (normalized by the synchrotron tune) and the wakefield strength, Upsilon. The three-dimensional contour plot of the growth rate as a function of those two dimensionless parameters reveals stopband structures. Manymore » simulation results generally indicate that a strong head-tail instability can be damped by a weak space-charge force, but the beam becomes unstable again when the space-charge force is further increased. The new two particle model indicates a similar behavior. In weak space-charge regions, additional tune shifts by the space-charge force dissolve the mode coupling. As the space-charge force is increased, they conversely restore the mode coupling, but then a further increase of the space-charge force decouples the modes again. Lastly, this mode coupling/decoupling behavior creates the stopband structures.« less

Two-Dimensional Self-Consistent Radio Frequency Plasma Simulations Relevant to the Gaseous Electronics Conference RF Reference Cell

PubMed Central

Lymberopoulos, Dimitris P.; Economou, Demetre J.

1995-01-01

Over the past few years multidimensional self-consistent plasma simulations including complex chemistry have been developed which are promising tools for furthering our understanding of reactive gas plasmas and for reactor design and optimization. These simulations must be benchmarked against experimental data obtained in well-characterized systems such as the Gaseous Electronics Conference (GEC) reference cell. Two-dimensional simulations relevant to the GEC Cell are reviewed in this paper with emphasis on fluid simulations. Important features observed experimentally, such as off-axis maxima in the charge density and hot spots of metastable species density near the electrode edges in capacitively-coupled GEC cells, have been captured by these simulations. PMID:29151756

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids

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

Aradi, Bálint; Niklasson, Anders M. N.; Frauenheim, Thomas

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born–Oppenheimer molecular dynamics. Furthermore, for systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can also be applied to a broad range of problems in materialsmore » science, chemistry, and biology.« less

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids

DOE PAGES

Aradi, Bálint; Niklasson, Anders M. N.; Frauenheim, Thomas

2015-06-26

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born–Oppenheimer molecular dynamics. Furthermore, for systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can also be applied to a broad range of problems in materialsmore » science, chemistry, and biology.« less

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

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

Grach, V. S., E-mail: vsgrach@app.sci-nnov.ru; 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 themore » 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.« less

Numerical modelling of needle-grid electrodes for negative surface corona charging system

NASA Astrophysics Data System (ADS)

Zhuang, Y.; Chen, G.; Rotaru, M.

2011-08-01

Surface potential decay measurement is a simple and low cost tool to examine electrical properties of insulation materials. During the corona charging stage, a needle-grid electrodes system is often used to achieve uniform charge distribution on the surface of the sample. In this paper, a model using COMSOL Multiphysics has been developed to simulate the gas discharge. A well-known hydrodynamic drift-diffusion model was used. The model consists of a set of continuity equations accounting for the movement, generation and loss of charge carriers (electrons, positive and negative ions) coupled with Poisson's equation to take into account the effect of space and surface charges on the electric field. Four models with the grid electrode in different positions and several mesh sizes are compared with a model that only has the needle electrode. The results for impulse current and surface charge density on the sample clearly show the effect of the extra grid electrode with various positions.

Second-order electron self-energy loop-after-loop correction for low- Z hydrogen-like ions

NASA Astrophysics Data System (ADS)

Goidenko, Igor; Labzowsky, Leonti; Plunien, Günter; Soff, Gerhard

2005-07-01

The second-order electron self-energy loop-after-loop correction is investigated for hydrogen-like ions in the region of low nuclear charge numbers Z. Both irreducible and reducible parts of this correction are evaluated for the 1s1/2-state within the Fried-Yennie gauge. We confirm the result obtained first by Mallampalli and Sapirstein. The reducible part of this correction is evaluated numerically for the first time and it is consistent with the corresponding analytical αZ-expansion.

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

Zhu, Zheng; Tian, Chushun; Jiang, Hong-Chen

Charge order appears to be an ubiquitous phenomenon in doped Mott insulators, which is currently under intense experimental and theoretical investigations particularly in the high T c cuprates. This phenomenon is conventionally understood in terms of Hartree-Fock-type mean-field theory. Here we demonstrate a mechanism for charge modulation which is rooted in the many-particle quantum physics arising in the strong coupling limit. Specifically, we consider the problem of a single hole in a bipartite t - J ladder. As a remnant of the fermion signs, the hopping hole picks up subtle phases pending the fluctuating spins, the so-called phase-string effect. Wemore » demonstrate the presence of charge modulations in the density matrix renormalization group solutions which disappear when the phase strings are switched off. This form of charge modulation can be understood analytically in a path-integral language with a mean-field-like approximation adopted, showing that the phase strings give rise to constructive interferences leading to self-localization. When the latter occurs, left- and right-moving propagating modes emerge inside the localization volume and their interference is responsible for the real space charge modulation.« less

Structure of Weakly Charged Polyelectrolyte Brushes: Monomer Density Profiles

NASA Astrophysics Data System (ADS)

Borisov, O. V.; Zhulina, E. B.

1997-03-01

The internal structure (the monomer density profiles) of weakly charged polyelectrolyte brushes of different morphologies has been analyzed on the basis of the self-consistent-field approach. In contrast to previous studies based on the local electroneutrality approximation valid for sufficiently strongly charged or densely grafted (“osmotic") brushes we consider the opposite limit of sparse brushes which are unable to retain the counterions inside the brush. We have shown that an exact analytical solution of the SCF-equations is available in the case of a planar brush. In contrast to Gaussian monomer density profile known for “osmotic" polyelectrolyte brushes we have found that weakly charged brushes are characterized by constant monomer density. At the same time free ends of grafted polyions are distributed throughout the brush. Thus, the structural cross-over between polyelectrolyte “mushrooms" and dense brush regimes is established.

Fragmentation network of doubly charged methionine: Interpretation using graph theory

NASA Astrophysics Data System (ADS)

Ha, D. T.; Yamazaki, K.; Wang, Y.; Alcamí, M.; Maeda, S.; Kono, H.; Martín, F.; Kukk, E.

2016-09-01

The fragmentation of doubly charged gas-phase methionine (HO2CCH(NH2)CH2CH2SCH3) is systematically studied using the self-consistent charge density functional tight-binding molecular dynamics (MD) simulation method. We applied graph theory to analyze the large number of the calculated MD trajectories, which appears to be a highly effective and convenient means of extracting versatile information from the large data. The present theoretical results strongly concur with the earlier studied experimental ones. Essentially, the dication dissociates into acidic group CO2H and basic group C4NSH10. The former may carry a single or no charge and stays intact in most cases, whereas the latter may hold either a single or a double charge and tends to dissociate into smaller fragments. The decay of the basic group is observed to follow the Arrhenius law. The dissociation pathways to CO2H and C4NSH10 and subsequent fragmentations are also supported by ab initio calculations.

Excitation spectra of aromatic molecules within a real-space G W -BSE formalism: Role of self-consistency and vertex corrections

DOE PAGES

Hung, Linda; da Jornada, Felipe H.; Souto-Casares, Jaime; ...

2016-08-15

Here, we present first-principles calculations on the vertical ionization potentials (IPs), electron affinities (EAs), and singlet excitation energies on an aromatic-molecule test set (benzene, thiophene, 1,2,5-thiadiazole, naphthalene, benzothiazole, and tetrathiafulvalene) within the GW and Bethe-Salpeter equation (BSE) formalisms. Our computational framework, which employs a real-space basis for ground-state and a transition-space basis for excited-state calculations, is well suited for high-accuracy calculations on molecules, as we show by comparing against G0W0 calculations within a plane-wave-basis formalism. We then generalize our framework to test variants of the GW approximation that include a local density approximation (LDA)–derived vertex function (Γ LDA ) andmore » quasiparticle-self-consistent (QS) iterations. We find that Γ LDA and quasiparticle self-consistency shift IPs and EAs by roughly the same magnitude, but with opposite sign for IPs and the same sign for EAs. G0W0 and QS GWΓ LDA are more accurate for IPs, while G 0W 0Γ LDA and QS GW are best for EAs. For optical excitations, we find that perturbative GW-BSE underestimates the singlet excitation energy, while self-consistent GW-BSE results in good agreement with previous best-estimate values for both valence and Rydberg excitations. Finally, our work suggests that a hybrid approach, in which G0W0 energies are used for occupied orbitals and G0W0Γ LDA for unoccupied orbitals, also yields optical excitation energies in good agreement with experiment but at a smaller computational cost.« less

Excitation spectra of aromatic molecules within a real-space G W -BSE formalism: Role of self-consistency and vertex corrections

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

Hung, Linda; da Jornada, Felipe H.; Souto-Casares, Jaime

Here, we present first-principles calculations on the vertical ionization potentials (IPs), electron affinities (EAs), and singlet excitation energies on an aromatic-molecule test set (benzene, thiophene, 1,2,5-thiadiazole, naphthalene, benzothiazole, and tetrathiafulvalene) within the GW and Bethe-Salpeter equation (BSE) formalisms. Our computational framework, which employs a real-space basis for ground-state and a transition-space basis for excited-state calculations, is well suited for high-accuracy calculations on molecules, as we show by comparing against G0W0 calculations within a plane-wave-basis formalism. We then generalize our framework to test variants of the GW approximation that include a local density approximation (LDA)–derived vertex function (Γ LDA ) andmore » quasiparticle-self-consistent (QS) iterations. We find that Γ LDA and quasiparticle self-consistency shift IPs and EAs by roughly the same magnitude, but with opposite sign for IPs and the same sign for EAs. G0W0 and QS GWΓ LDA are more accurate for IPs, while G 0W 0Γ LDA and QS GW are best for EAs. For optical excitations, we find that perturbative GW-BSE underestimates the singlet excitation energy, while self-consistent GW-BSE results in good agreement with previous best-estimate values for both valence and Rydberg excitations. Finally, our work suggests that a hybrid approach, in which G0W0 energies are used for occupied orbitals and G0W0Γ LDA for unoccupied orbitals, also yields optical excitation energies in good agreement with experiment but at a smaller computational cost.« less

Enhanced response and sensitivity of self-corrugated graphene sensors with anisotropic charge distribution

PubMed Central

Yol Jeong, Seung; Jeong, Sooyeon; Won Lee, Sang; Tae Kim, Sung; Kim, Daeho; Jin Jeong, Hee; Tark Han, Joong; Baeg, Kang-Jun; Yang, Sunhye; Seok Jeong, Mun; Lee, Geon-Woong

2015-01-01

We introduce a high-performance molecular sensor using self-corrugated chemically modified graphene as a three dimensional (3D) structure that indicates anisotropic charge distribution. This is capable of room-temperature operation, and, in particular, exhibiting high sensitivity and reversible fast response with equilibrium region. The morphology consists of periodic, “cratered” arrays that can be formed by condensation and evaporation of graphene oxide (GO) solution on interdigitated electrodes. Subsequent hydrazine reduction, the corrugated edge area of the graphene layers have a high electric potential compared with flat graphene films. This local accumulation of electrons interacts with a large number of gas molecules. The sensitivity of 3D-graphene sensors significantly increases in the atmosphere of NO2 gas. The intriguing structures have several advantages for straightforward fabrication on patterned substrates, high-performance graphene sensors without post-annealing process. PMID:26053892

Dynamics of Charged Species in Ionic-Neutral Block Copolymer and Surfactant Complexes [Structural Relaxation and Dynamics of Ionic-Neutral Block Copolymer Surfactant Complexes

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

Borreguero, Jose M.; Pincus, Philip A.; Sumpter, Bobby G.

Structure–property relationships of ionic block copolymer (BCP) surfactant complexes are critical toward the progress of favorable engineering design of efficient charge-transport materials. In this paper, molecular dynamics simulations are used to understand the dynamics of charged-neutral BCP and surfactant complexes. The dynamics are examined for two different systems: charged-neutral double-hydrophilic and hydrophobic–hydrophilic block copolymers with oppositely charged surfactant moieties. The dynamics of the surfactant head, tails, and charges are studied for five different BCP volume fractions. We observe that the dynamics of the different species solely depend on the balance between electrostatic and entropic interactions between the charged species andmore » the neutral monomers. The favorable hydrophobic–hydrophobic interactions and the unfavorable hydrophobic–hydrophilic interactions determine the mobilities of the monomers. The dynamical properties of the charge species influence complex formation. Structural relaxations exhibit length-scale dependent behavior, with slower relaxation at the radius of gyration length-scale and faster relaxation at the segmental length-scale, consistent with previous results. The dynamical analysis correlates ion-exchange kinetics to the self-assembly behavior of the complexes.« less

Dynamics of Charged Species in Ionic-Neutral Block Copolymer and Surfactant Complexes [Structural Relaxation and Dynamics of Ionic-Neutral Block Copolymer Surfactant Complexes

DOE PAGES

Borreguero, Jose M.; Pincus, Philip A.; Sumpter, Bobby G.; ...

2017-06-21

Structure–property relationships of ionic block copolymer (BCP) surfactant complexes are critical toward the progress of favorable engineering design of efficient charge-transport materials. In this paper, molecular dynamics simulations are used to understand the dynamics of charged-neutral BCP and surfactant complexes. The dynamics are examined for two different systems: charged-neutral double-hydrophilic and hydrophobic–hydrophilic block copolymers with oppositely charged surfactant moieties. The dynamics of the surfactant head, tails, and charges are studied for five different BCP volume fractions. We observe that the dynamics of the different species solely depend on the balance between electrostatic and entropic interactions between the charged species andmore » the neutral monomers. The favorable hydrophobic–hydrophobic interactions and the unfavorable hydrophobic–hydrophilic interactions determine the mobilities of the monomers. The dynamical properties of the charge species influence complex formation. Structural relaxations exhibit length-scale dependent behavior, with slower relaxation at the radius of gyration length-scale and faster relaxation at the segmental length-scale, consistent with previous results. The dynamical analysis correlates ion-exchange kinetics to the self-assembly behavior of the complexes.« less

Self-assembled microstructures of confined rod-coil diblock copolymers by self-consistent field theory.

PubMed

Yang, Guang; Tang, Ping; Yang, Yuliang; Wang, Qiang

2010-11-25

We employ the self-consistent field theory (SCFT) incorporating Maier-Saupe orientational interactions between rods to investigate the self-assembly of rod-coil diblock copolymers (RC DBC) in bulk and especially confined into two flat surfaces in 2D space. A unit vector defined on a spherical surface for describing the orientation of rigid blocks in 3D Euclidean space is discretized with an icosahedron triangular mesh to numerically integrate over rod orientation, which is confirmed to have numerical accuracy and stability higher than that of the normal Gaussian quadrature. For the hockey puck-shaped phases in bulk, geometrical confinement, i.e., the film thickness, plays an important role in the self-assembled structures' transitions for the neutral walls. However, for the lamellar phase (monolayer smectic-C) in bulk, the perpendicular lamellae are always stable, less dependent on the film thicknesses because they can relax to the bulk spacing with less-paid coil-stretching in thin films. In particular, a very thin rod layer near the surfaces is formed even in a very thin film. When the walls prefer rods, parallel lamellae are obtained, strongly dependent on the competition between the degree of the surface fields and film geometrical confinement, and the effect of surface field on lamellar structure as a function of film thickness is investigated. Our simulation results provide a guide to understanding the self-assembly of the rod-coil films with desirable application prospects in the fabrication of organic light emitting devices.

(3 + 1)-dimensional topological phases and self-dual quantum geometries encoded on Heegaard surfaces

NASA Astrophysics Data System (ADS)

Dittrich, Bianca

2017-05-01

We apply the recently suggested strategy to lift state spaces and operators for (2 + 1)-dimensional topological quantum field theories to state spaces and operators for a (3 + 1)-dimensional TQFT with defects. We start from the (2 + 1)-dimensional TuraevViro theory and obtain a state space, consistent with the state space expected from the Crane-Yetter model with line defects.

A self-reliant RSI payload development in Taiwan

NASA Astrophysics Data System (ADS)

Weng, Shui-Lin; Lian, Yu-Yung

2011-10-01

Instead of outsourcing the whole FORMOSAT-2 satellite to a foreign prime contractor, the National Space Organization in Taiwan is stepping ahead to take the full responsibility of consolidating self-reliant space technology capabilities. A newly initiated program FORMOSAT-5 satellite, not only to build a heritage design of a spacecraft bus but also, selfreliantly, to leap a big step toward Remote Sensing Instrument payload development, is sailing on its voyage. Among the payload development effort, an integrated circuit of the kind Complementary Metal Oxide Semiconductor instead of Charge-coupled Device is chosen as the image sensor playing the lead role for the instrument. Despite the foreseen technical concerns, management issues over scheduling and documentation are constantly emerging owing to the payload development underwent is collaborated by several domestic industries and research centers. Regardless of challenges we may confront with, a carefully planned strategy especially emphasizing on the product realization processes is considered, discussed, and implemented.

Neoclassical Simulation of Tokamak Plasmas using Continuum Gyrokinetc Code TEMPEST

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

Xu, X Q

We present gyrokinetic neoclassical simulations of tokamak plasmas with self-consistent electric field for the first time using a fully nonlinear (full-f) continuum code TEMPEST in a circular geometry. A set of gyrokinetic equations are discretized on a five dimensional computational grid in phase space. The present implementation is a Method of Lines approach where the phase-space derivatives are discretized with finite differences and implicit backwards differencing formulas are used to advance the system in time. The fully nonlinear Boltzmann model is used for electrons. The neoclassical electric field is obtained by solving gyrokinetic Poisson equation with self-consistent poloidal variation. Withmore » our 4D ({psi}, {theta}, {epsilon}, {mu}) version of the TEMPEST code we compute radial particle and heat flux, the Geodesic-Acoustic Mode (GAM), and the development of neoclassical electric field, which we compare with neoclassical theory with a Lorentz collision model. The present work provides a numerical scheme and a new capability for self-consistently studying important aspects of neoclassical transport and rotations in toroidal magnetic fusion devices.« less

A self-consistency check for unitary propagation of Hawking quanta

NASA Astrophysics Data System (ADS)

Baker, Daniel; Kodwani, Darsh; Pen, Ue-Li; Yang, I.-Sheng

2017-11-01

The black hole information paradox presumes that quantum field theory in curved space-time can provide unitary propagation from a near-horizon mode to an asymptotic Hawking quantum. Instead of invoking conjectural quantum-gravity effects to modify such an assumption, we propose a self-consistency check. We establish an analogy to Feynman’s analysis of a double-slit experiment. Feynman showed that unitary propagation of the interfering particles, namely ignoring the entanglement with the double-slit, becomes an arbitrarily reliable assumption when the screen upon which the interference pattern is projected is infinitely far away. We argue for an analogous self-consistency check for quantum field theory in curved space-time. We apply it to the propagation of Hawking quanta and test whether ignoring the entanglement with the geometry also becomes arbitrarily reliable in the limit of a large black hole. We present curious results to suggest a negative answer, and we discuss how this loss of naive unitarity in QFT might be related to a solution of the paradox based on the soft-hair-memory effect.

Commensurate 4a0-period charge density modulations throughout the Bi2Sr2CaCu2O8+x pseudogap regime

PubMed Central

Mesaros, Andrej; Fujita, Kazuhiro; Edkins, Stephen D.; Hamidian, Mohammad H.; Eisaki, Hiroshi; Uchida, Shin-ichi; Davis, J. C. Séamus; Lawler, Michael J.; Kim, Eun-Ah

2016-01-01

Theories based upon strong real space (r-space) electron–electron interactions have long predicted that unidirectional charge density modulations (CDMs) with four-unit-cell (4a0) periodicity should occur in the hole-doped cuprate Mott insulator (MI). Experimentally, however, increasing the hole density p is reported to cause the conventionally defined wavevector QA of the CDM to evolve continuously as if driven primarily by momentum-space (k-space) effects. Here we introduce phase-resolved electronic structure visualization for determination of the cuprate CDM wavevector. Remarkably, this technique reveals a virtually doping-independent locking of the local CDM wavevector at |Q0|=2π/4a0 throughout the underdoped phase diagram of the canonical cuprate Bi2Sr2CaCu2O8. These observations have significant fundamental consequences because they are orthogonal to a k-space (Fermi-surface)–based picture of the cuprate CDMs but are consistent with strong-coupling r-space–based theories. Our findings imply that it is the latter that provides the intrinsic organizational principle for the cuprate CDM state. PMID:27791157

Commensurate 4 a 0 -period charge density modulations throughout the Bi 2 Sr 2 CaCu 2 O 8+x pseudogap regime

DOE PAGES

Mesaros, Andrej; Fujita, Kazuhiro; Edkins, Stephen D.; ...

2016-10-20

Theories based upon strong real space (r-space) electron–electron interactions have long predicted that unidirectional charge density modulations (CDMs) with four-unit-cell (4 a0) periodicity should occur in the hole-doped cuprate Mott insulator (MI). But, increasing the hole density p is reported to cause the conventionally defined wavevector Q A of the CDM to evolve continuously as if driven primarily by momentum-space (k-space) effects. We introduce phase-resolved electronic structure visualization for determination of the cuprate CDM wavevector. Remarkably, this technique reveals a virtually doping-independent locking of the local CDM wavevector at |Q 0|=2π/4 a0 throughout the underdoped phase diagram of the canonicalmore » cuprate Bi 2Sr 2CaCu 2O 8. Our observations have significant fundamental consequences because they are orthogonal to a k-space (Fermi-surface)–based picture of the cuprate CDMs but are consistent with strong-coupling r-space–based theories. Our findings imply that it is the latter that provides the intrinsic organizational principle for the cuprate CDM state.« less

78 FR 48758 - Self-Regulatory Organizations; The NASDAQ Stock Market LLC; Notice of Filing and Immediate...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-09

... designated by the entering party, without checking the NASDAQ book. If unexecuted, the order (or unexecuted... respect to BX and NYSE. The fee level is consistent with NASDAQ's long-standing practice of charging a..., regardless of the activity level of the member, the listing venue of the security, or the venue to which the...

Seniors in Action: A Case Study of Participation at the University of Toronto by the Senior Alumni Association.

ERIC Educational Resources Information Center

Gleberzon, William

Objectives, administrative organization, and activities of the Senior Alumni Association of the University of Toronto, which consists of members at least 60 years old, are described. The programs of the association are self-sustaining and generated from fees charged for its continuing education courses. Surplus funds generated by these fees are…

Combined effects of space charge and energetic disorder on photocurrent efficiency loss of field-dependent organic photovoltaic devices

NASA Astrophysics Data System (ADS)

Yoon, Sangcheol; Park, Byoungchoo; Hwang, Inchan

2015-11-01

The loss of photocurrent efficiency by space-charge effects in organic solar cells with energetic disorder was investigated to account for how energetic disorder incorporates space-charge effects, utilizing a drift-diffusion model with field-dependent charge-pair dissociation and suppressed bimolecular recombination. Energetic disorder, which induces the Poole-Frenkel behavior of charge carrier mobility, is known to decrease the mobility of charge carriers and thus reduces photovoltaic performance. We found that even if the mobilities are the same in the absence of space-charge effects, the degree of energetic disorder can be an additional parameter affecting photocurrent efficiency when space-charge effects occur. Introducing the field-dependence parameter that reflects the energetic disorder, the behavior of efficiency loss with energetic disorder can differ depending on which charge carrier is subject to energetic disorder. While the energetic disorder that is applied to higher-mobility charge carriers decreases photocurrent efficiency further, the efficiency loss can be suppressed when energetic disorder is applied to lower-mobility charge carriers.

Higher order alchemical derivatives from coupled perturbed self-consistent field theory.

PubMed

Lesiuk, Michał; Balawender, Robert; Zachara, Janusz

2012-01-21

We present an analytical approach to treat higher order derivatives of Hartree-Fock (HF) and Kohn-Sham (KS) density functional theory energy in the Born-Oppenheimer approximation with respect to the nuclear charge distribution (so-called alchemical derivatives). Modified coupled perturbed self-consistent field theory is used to calculate molecular systems response to the applied perturbation. Working equations for the second and the third derivatives of HF/KS energy are derived. Similarly, analytical forms of the first and second derivatives of orbital energies are reported. The second derivative of Kohn-Sham energy and up to the third derivative of Hartree-Fock energy with respect to the nuclear charge distribution were calculated. Some issues of practical calculations, in particular the dependence of the basis set and Becke weighting functions on the perturbation, are considered. For selected series of isoelectronic molecules values of available alchemical derivatives were computed and Taylor series expansion was used to predict energies of the "surrounding" molecules. Predicted values of energies are in unexpectedly good agreement with the ones computed using HF/KS methods. Presented method allows one to predict orbital energies with the error less than 1% or even smaller for valence orbitals. © 2012 American Institute of Physics

Charging-induced asymmetry in molecular conductors

NASA Astrophysics Data System (ADS)

Zahid, F.; Ghosh, A. W.; Paulsson, M.; Polizzi, E.; Datta, S.

2004-12-01

We investigate the origin of asymmetry in various measured current-voltage (I-V) characteristics of molecules with no inherent spatial asymmetry, with particular focus on a recent break junction measurement. We argue that such asymmetry arises due to unequal coupling with the contacts and a consequent difference in charging effects, which can only be captured in a self-consistent model for molecular conduction. The direction of the asymmetry depends on the sign of the majority carriers in the molecule. For conduction through highest occupied molecular orbitals (i.e., HOMO or p -type conduction), the current is smaller for positive voltage on the stronger contact, while for conduction through lowest unoccupied molecular orbitals (i.e., LUMO or n -type conduction), the sense of the asymmetry is reversed. Within an extended Hückel description of the molecular chemistry and the contact microstructure (with two adjustable parameters, the position of the Fermi energy and the sulphur-gold bond length), an appropriate description of Poisson’s equation, and a self-consistently coupled nonequilibrium Green’s function description of transport, we achieve good agreement between theoretical and experimental I-V characteristics, both in shape as well as overall magnitude.

Design of an arc-free thermal blanket

NASA Technical Reports Server (NTRS)

Fellas, C. N.

1981-01-01

The success of a multilayer thermal blanket in eliminating arcing is discussed. Arcing is eliminated by limiting the surface potential to well below the threshold level for discharge. This is achieved by enhancing the leakage current which results in conduction of the excess charge to the spacecraft structure. The thermal blanket consists of several layers of thermal control (space approved) materials, bonded together, with Kapton on the outside, arranged in such a way that when the outer surface is charged by electron irradiation, a strong electric field is set up on the Kapton layer resulting in a greatly improved conductivity. The basic properties of matter utilized in designing this blanket method of charge removal, and optimum thermo-optical properties are summarized.

Wave-Particle Interactions on Relativistic Electron Beams.

DTIC Science & Technology

1983-10-20

8217 , , , . , • -- . . : - ’ - , % % , . , , : " ’ . I_ °- , ,, - - . . . . . . . . . . . . . - .- , ,. , - ,.. .. -l -. ’- - ’ @ -5- In summary, the body of published research which resulted from Office...current beams so that the influence of the self- U(5 )-Y space charge on the beam can be neglected. We thus require that the transverse electrostatic...the gain en - hancement is that the equilibrium electron orbits in the wiggler be nearly helical. Without the axial guide field a helical magnetic

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

Liu Kun; Zhao Hongmei; Wang Caixia

Bromoiodomethane photodissociation in the low-lying excited states has been characterized using unrestricted Hartree-Fock, configuration-interaction-singles, and complete active space self-consistent field calculations with the SDB-aug-cc-pVTZ, aug-cc-pVTZ, and 3-21g** basis sets. According to the results of the vertical excited energies and oscillator strengths of these low-lying excited states, bond selectivity is predicted. Subsequently, the minimum energy paths of the first excited singlet state and the third excited state for the dissociation reactions were calculated using the complete active space self-consistent field method with 3-21g** basis set. Good agreement is found between the calculations and experimental data. The relationships of excitations, the electronicmore » structures at Franck-Condon points, and bond selectivity are discussed.« less

Nonlinearity and pixel shifting effects in HXRG infrared detectors

NASA Astrophysics Data System (ADS)

Plazas, A. A.; Shapiro, C.; Smith, R.; Rhodes, J.; Huff, E.

2017-04-01

We study the nonlinearity (NL) in the conversion from charge to voltage in infrared detectors (HXRG) for use in precision astronomy. We present laboratory measurements of the NL function of a H2RG detector and discuss the accuracy to which it would need to be calibrated in future space missions to perform cosmological measurements through the weak gravitational lensing technique. In addition, we present an analysis of archival data from the infrared H1RG detector of the Wide Field Camera 3 in the Hubble Space Telescope that provides evidence consistent with the existence of a sensor effect analogous to the ``brighter-fatter'' effect found in Charge-Coupled Devices. We propose a model in which this effect could be understood as shifts in the effective pixel boundaries, and discuss prospects of laboratory measurements to fully characterize this effect.

No chiral truncation of quantum log gravity?

NASA Astrophysics Data System (ADS)

Andrade, Tomás; Marolf, Donald

2010-03-01

At the classical level, chiral gravity may be constructed as a consistent truncation of a larger theory called log gravity by requiring that left-moving charges vanish. In turn, log gravity is the limit of topologically massive gravity (TMG) at a special value of the coupling (the chiral point). We study the situation at the level of linearized quantum fields, focussing on a unitary quantization. While the TMG Hilbert space is continuous at the chiral point, the left-moving Virasoro generators become ill-defined and cannot be used to define a chiral truncation. In a sense, the left-moving asymptotic symmetries are spontaneously broken at the chiral point. In contrast, in a non-unitary quantization of TMG, both the Hilbert space and charges are continuous at the chiral point and define a unitary theory of chiral gravity at the linearized level.

Constructing the GW self-energy of a point defect from the perfect crystal and the near neighborhood of the defect

NASA Astrophysics Data System (ADS)

Skachkov, Dmitry; van Schilfgaarde, Mark; Lambrecht, Walter

The full-potential linearized muffin-tin orbital method allows for a real space representation of the GW or quasi-particle self-consistent (QS)GW self-energy ΣR , L ; R' + T , L'. This can be used to construct the self-energy matrix for a point defect system in a large supercell from that of the perfect crystal in the primitive cell and the self-energy of the defect site and its near neighborhood, obtained self-consistently in a smaller supercell. At the interface between both regions we can average the two types of ΣR , L ; R' + T , L' matrix blocks. The result relies on the limited range of the self-energy matrix in real space. It means that we can calculate the quasiparticle energy levels of the defect system at essentially the cost of a DFT calculation and a few QSGW calculations for relatively small systems. The approach presently focuses on quasiparticle energy levels of band structures of the defect system rather than total energies. We will present test results for AsGa\\ in GaAs, ZnGe in ZnGeN2, NO, VO, VZn, and NO - VZn in ZnO. Supported by the US-DOE-BES under Grant No. DE-SC0008933.

Redox reactions with empirical potentials: atomistic battery discharge simulations.

PubMed

Dapp, Wolf B; Müser, Martin H

2013-08-14

Batteries are pivotal components in overcoming some of today's greatest technological challenges. Yet to date there is no self-consistent atomistic description of a complete battery. We take first steps toward modeling of a battery as a whole microscopically. Our focus lies on phenomena occurring at the electrode-electrolyte interface which are not easily studied with other methods. We use the redox split-charge equilibration (redoxSQE) method that assigns a discrete ionization state to each atom. Along with exchanging partial charges across bonds, atoms can swap integer charges. With redoxSQE we study the discharge behavior of a nano-battery, and demonstrate that this reproduces the generic properties of a macroscopic battery qualitatively. Examples are the dependence of the battery's capacity on temperature and discharge rate, as well as performance degradation upon recharge.

Characteristics of space charge formed in a laminated LDPE/EVA dielectric under DC stress

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

Tanaka, Toshikatsu; Kisanuki, Osamu; Sakata, Masataka

1996-12-31

A laser-induced pressure pulse (LIPP) method was used for measuring the space charge distribution of LDPE/EVA laminate dielectrics under dc stress. The constant voltage up to {+-}20 kV was applied to a side of the laminates of 0.5 mm thickness for 30 minutes. The other side is grounded. When the amount of space charge was measured by LIPP, both sides were virtually grounded. Space charge built up in or near the interface between LDPE and EVA was mainly investigated. Positive and negative voltage was applied to the side of LDPE in the laminates. It was clarified that the space chargemore » was larger in case of LDPE negatively biased than in case of LDPE positively biased. The density of the space charge ranged around 1 nC/mm{sup 3}. The formation of interfacial space charge is analyzed.« less

Dissemination and support of ARGUS for accelerator applications

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

Not Available

The ARGUS code is a three-dimensional code system for simulating for interactions between charged particles, electric and magnetic fields, and complex structure. It is a system of modules that share common utilities for grid and structure input, data handling, memory management, diagnostics, and other specialized functions. The code includes the fields due to the space charge and current density of the particles to achieve a self-consistent treatment of the particle dynamics. The physic modules in ARGUS include three-dimensional field solvers for electrostatics and electromagnetics, a three-dimensional electromagnetic frequency-domain module, a full particle-in-cell (PIC) simulation module, and a steady-state PIC model.more » These are described in the Appendix to this report. This project has a primary mission of developing the capabilities of ARGUS in accelerator modeling of release to the accelerator design community. Five major activities are being pursued in parallel during the first year of the project. To improve the code and/or add new modules that provide capabilities needed for accelerator design. To produce a User's Guide that documents the use of the code for all users. To release the code and the User's Guide to accelerator laboratories for their own use, and to obtain feed-back from the. To build an interactive user interface for setting up ARGUS calculations. To explore the use of ARGUS on high-power workstation platforms.« less

Genesis of charge orders in high temperature superconductors

PubMed Central

Tu, Wei-Lin; Lee, Ting-Kuo

2016-01-01

One of the most puzzling facts about cuprate high-temperature superconductors in the lightly doped regime is the coexistence of uniform superconductivity and/or antiferromagnetism with many low-energy charge-ordered states in a unidirectional charge density wave or a bidirectional checkerboard structure. Recent experiments have discovered that these charge density waves exhibit different symmetries in their intra-unit-cell form factors for different cuprate families. Using a renormalized mean-field theory for a well-known, strongly correlated model of cuprates, we obtain a number of charge-ordered states with nearly degenerate energies without invoking special features of the Fermi surface. All of these self-consistent solutions have a pair density wave intertwined with a charge density wave and sometimes a spin density wave. Most of these states vanish in the underdoped regime, except for one with a large d-form factor that vanishes at approximately 19% doping of the holes, as reported by experiments. Furthermore, these states could be modified to have a global superconducting order, with a nodal-like density of states at low energy. PMID:26732076

Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: theory and application to the study of chromium dimer.

PubMed

Kurashige, Yuki; Yanai, Takeshi

2011-09-07

We present a second-order perturbation theory based on a density matrix renormalization group self-consistent field (DMRG-SCF) reference function. The method reproduces the solution of the complete active space with second-order perturbation theory (CASPT2) when the DMRG reference function is represented by a sufficiently large number of renormalized many-body basis, thereby being named DMRG-CASPT2 method. The DMRG-SCF is able to describe non-dynamical correlation with large active space that is insurmountable to the conventional CASSCF method, while the second-order perturbation theory provides an efficient description of dynamical correlation effects. The capability of our implementation is demonstrated for an application to the potential energy curve of the chromium dimer, which is one of the most demanding multireference systems that require best electronic structure treatment for non-dynamical and dynamical correlation as well as large basis sets. The DMRG-CASPT2/cc-pwCV5Z calculations were performed with a large (3d double-shell) active space consisting of 28 orbitals. Our approach using large-size DMRG reference addressed the problems of why the dissociation energy is largely overestimated by CASPT2 with the small active space consisting of 12 orbitals (3d4s), and also is oversensitive to the choice of the zeroth-order Hamiltonian. © 2011 American Institute of Physics

14 CFR 1215.113 - User charges.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 14 Aeronautics and Space 5 2013-01-01 2013-01-01 false User charges. 1215.113 Section 1215.113 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION TRACKING AND DATA RELAY SATELLITE SYSTEM... shall reimburse NASA the sum of the charges for standard and mission-unique services. Charges will be...

Asymmetric injection and distribution of space charges in propylene carbonate under impulse voltage

NASA Astrophysics Data System (ADS)

Sima, Wenxia; Chen, Qiulin; Sun, Potao; Yang, Ming; Guo, Hongda; Ye, Lian

2018-05-01

Space charge can distort the electric field in high voltage stressed liquid dielectrics and lead to breakdown. Observing the evolution of space charge in real time and determining the influencing factors are of considerable significance. The spatio-temporal evolution of space charge in propylene carbonate, which is very complex under impulse voltage, was measured in this study through the time-continuous Kerr electro-optic field mapping measurement. We found that the injection charge from a brass electrode displayed an asymmetric effect; that is, the negative charge injection near the cathode lags behind the positive charge injection near the anode. Physical mechanisms, including charge generation and drift, are analyzed, and a voltage-dependent saturated drift rectification model was established to explain the interesting phenomena. Mutual validation of models and our measurement data indicated that a barrier layer, which is similar to metal-semiconductor contact, was formed in the contact interface between the electrode and propylene carbonate and played an important role in the space charge injection.

Three dimensional clyindrical Kadomtsev Petviashvili equation in two temperature charged dusty plasma

NASA Astrophysics Data System (ADS)

El-Bedwehy, N. A.; El-Attafi, M. A.; El-Labany, S. K.

2016-09-01

The properties of solitary waves in an unmagnetized, collisionless dusty plasma consisting of nonthermal ions, cold and hot dust grains and Maxwellian electrons have been investigated. Under a suitable coordinate transformation, the three-dimensional cylindrical Kadomtsev-Petviashvili (3D-CKP) equation is obtained. The effect of the nonthermal parameter, the negative charge number of hot and cold dust on the solitary properties are investigated. Furthermore, the solitary profile in the radial, axial, and polar angle coordinates with the time is examined. The present investigation may be applicable in space plasma such as F-ring of Saturn.

Anthocyanin-rich blueberry diets enhance protection of critical brain regions exposed to acute levels of 56Fe cosmic radiation

USDA-ARS?s Scientific Manuscript database

The protective effects of anthocyanin-rich blueberries on brain health are well documented and are particularly important under conditions of high oxidative stress which can lead to “accelerated aging”. One such scenario is exposure to space radiation, which consists of high-energy and -charge parti...

Two Virasoro symmetries in stringy warped AdS 3

DOE PAGES

Compere, Geoffrey; Guica, Monica; Rodriguez, Maria J.

2014-12-02

We study three-dimensional consistent truncations of type IIB supergravity which admit warped AdS 3 solutions. These theories contain subsectors that have no bulk dynamics. We show that the symplectic form for these theories, when restricted to the non-dynamical subsectors, equals the symplectic form for pure Einstein gravity in AdS 3. Consequently, for each consistent choice of boundary conditions in AdS 3, we can define a consistent phase space in warped AdS 3 with identical conserved charges. This way, we easily obtain a Virasoro × Virasoro asymptotic symmetry algebra in warped AdS 3; two different types of Virasoro × Kač-Moody symmetriesmore » are also consistent alternatives. Next, we study the phase space of these theories when propagating modes are included. We show that, as long as one can define a conserved symplectic form without introducing instabilities, the Virasoro × Virasoro asymptotic symmetries can be extended to the entire (linearised) phase space. In conclusion, this implies that, at least at semi-classical level, consistent theories of gravity in warped AdS 3 are described by a two-dimensional conformal field theory, as long as stability is not an issue.« less

Two Virasoro symmetries in stringy warped AdS 3

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

Compere, Geoffrey; Guica, Monica; Rodriguez, Maria J.

We study three-dimensional consistent truncations of type IIB supergravity which admit warped AdS 3 solutions. These theories contain subsectors that have no bulk dynamics. We show that the symplectic form for these theories, when restricted to the non-dynamical subsectors, equals the symplectic form for pure Einstein gravity in AdS 3. Consequently, for each consistent choice of boundary conditions in AdS 3, we can define a consistent phase space in warped AdS 3 with identical conserved charges. This way, we easily obtain a Virasoro × Virasoro asymptotic symmetry algebra in warped AdS 3; two different types of Virasoro × Kač-Moody symmetriesmore » are also consistent alternatives. Next, we study the phase space of these theories when propagating modes are included. We show that, as long as one can define a conserved symplectic form without introducing instabilities, the Virasoro × Virasoro asymptotic symmetries can be extended to the entire (linearised) phase space. In conclusion, this implies that, at least at semi-classical level, consistent theories of gravity in warped AdS 3 are described by a two-dimensional conformal field theory, as long as stability is not an issue.« less

Particle Simulations of the Guard Electrode Effects on the Photoelectron Distribution Around an Electric Field Sensor

NASA Astrophysics Data System (ADS)

Miyake, Y.; Usui, H.; Kojima, H.

2010-12-01

In tenuous space plasma environment, photoelectrons emitted due to solar illumination produce a high-density photoelectron cloud localized in the vicinity of a spacecraft body and an electric field sensor. The photoelectron current emitted from the sensor has also received considerable attention because it becomes a primary factor in determining floating potentials of the sunlit spacecraft and sensor bodies. Considering the fact that asymmetric photoelectron distribution between sunlit and sunless sides of the spacecraft occasionally causes a spurious sunward electric field, we require quantitative evaluation of the photoelectron distribution around the spacecraft and its influence on electric field measurements by means of a numerical approach. In the current study, we applied the Particle-in-Cell plasma simulation to the analysis of the photoelectron environment around spacecraft. By using the PIC modeling, we can self-consistently consider the plasma kinetics. This enables us to simulate the formation of the photoelectron cloud as well as the spacecraft and sensor charging in a self-consistent manner. We report the progress of an analysis on photoelectron environment around MEFISTO, which is an electric field instrument for the BepiColombo/MMO spacecraft to Mercury’s magnetosphere. The photoelectron guard electrode is a key technology for ensuring an optimum photoelectron environment. We show some simulation results on the guard electrode effects on surrounding photoelectrons and discuss a guard operation condition for producing the optimum photoelectron environment. We also deal with another important issue, that is, how the guard electrode can mitigate an undesirable influence of an asymmetric photoelectron distribution on electric field measurements.

Martian Dust Devil Electron Avalanche Process and Associated Electrochemistry

NASA Technical Reports Server (NTRS)

Jackson, Telana L.; Farrell, William M.; Delory, Gregory T.; Nithianandam, Jeyasingh

2010-01-01

Mars' dynamic atmosphere displays localized dust devils and larger, global dust storms. Based on terrestrial analog studies, electrostatic modeling, and laboratory work these features will contain large electrostatic fields formed via triboelectric processes. In the low-pressure Martian atmosphere, these fields may create an electron avalanche and collisional plasma due to an increase in electron density driven by the internal electrical forces. To test the hypothesis that an electron avalanche is sustained under these conditions, a self-consistent atmospheric process model is created including electron impact ionization sources and electron losses via dust absorption, electron dissociation attachment, and electron/ion recombination. This new model is called the Dust Devil Electron Avalanche Model (DDEAM). This model solves simultaneously nine continuity equations describing the evolution of the primary gaseous chemical species involved in the electrochemistry. DDEAM monitors the evolution of the electrons and primary gas constituents, including electron/water interactions. We especially focus on electron dynamics and follow the electrons as they evolve in the E field driven collisional gas. When sources and losses are self-consistently included in the electron continuity equation, the electron density grows exponentially with increasing electric field, reaching an equilibrium that forms a sustained time-stable collisional plasma. However, the character of this plasma differs depending upon the assumed growth rate saturation process (chemical saturation versus space charge). DDEAM also shows the possibility of the loss of atmospheric methane as a function of electric field due to electron dissociative attachment of the hydrocarbon. The methane destruction rates are presented and can be included in other larger atmospheric models.

Theoretical models for electron conduction in polymer systems—I. Macroscopic calculations of d.c. transient conductivity after pulse irradiation

NASA Astrophysics Data System (ADS)

Bartczak, Witold M.; Kroh, Jerzy

The simulation of the transient d.c. conductivity in a quasi one-dimensional system of charges produced by a pulse of ionizing radiation in a solid sample has been performed. The simulation is based on the macroscopic conductivity equations and can provide physical insight into d.c. conductivity measurements, particularly for the case of transient currents in samples with internal space charge. We consider the system of mobile (negative) and immobile (positive) charges produced by a pulse of ionizing radiation in the sample under a fixed external voltage V0. The presence of space charge results in an electric field which is a function of both the spatial and the time variable: E( z, t). Given the space charge density, the electric field can be calculated from the Poisson equation. However, for an arbitrary space charge distribution, the corresponding equations can only be solved numerically. The two non-trivial cases for which approximate analytical solutions can be provided are: (i) The density of the current carriers n( z, t) is negligible in comparison with the density of immobile space charge N( z). A general analytical solution has been found for this case using Green's functions. The solutions for two cases, viz. the homogeneous distribution of space charge N( z) = N, and the non-homogeneous exponential distribution N( z) = A exp(- Bz), have been separately discussed. (ii) The space charge created in the pulse without any space charge present prior to the irradiation.

Self-consistent modeling of electron cyclotron resonance ion sources

NASA Astrophysics Data System (ADS)

Girard, A.; Hitz, D.; Melin, G.; Serebrennikov, K.; Lécot, C.

2004-05-01

In order to predict the performances of electron cyclotron resonance ion source (ECRIS), it is necessary to perfectly model the different parts of these sources: (i) magnetic configuration; (ii) plasma characteristics; (iii) extraction system. The magnetic configuration is easily calculated via commercial codes; different codes also simulate the ion extraction, either in two dimension, or even in three dimension (to take into account the shape of the plasma at the extraction influenced by the hexapole). However the characteristics of the plasma are not always mastered. This article describes the self-consistent modeling of ECRIS: we have developed a code which takes into account the most important construction parameters: the size of the plasma (length, diameter), the mirror ratio and axial magnetic profile, whether a biased probe is installed or not. These input parameters are used to feed a self-consistent code, which calculates the characteristics of the plasma: electron density and energy, charge state distribution, plasma potential. The code is briefly described, and some of its most interesting results are presented. Comparisons are made between the calculations and the results obtained experimentally.

Self-consistent formation of electron $\\kappa$ distribution: 1. Theory

NASA Astrophysics Data System (ADS)

Yoon, Peter H.; Rhee, Tongnyeol; Ryu, Chang-Mo

2006-09-01

Since the early days of plasma physics research suprathermal electrons were observed to be generated during beam-plasma laboratory experiments. Energetic electrons, often modeled by κ distributions, are also ubiquitously observed in space. Various particle acceleration mechanisms have been proposed to explain such a feature, but all previous theories rely on either qualitative analytical method or on non-self-consistent approaches. This paper discusses the self-consistent acceleration of electrons to suprathermal energies by weak turbulence processes which involve the Langmuir/ion-sound turbulence and the beam-plasma interaction. It is discussed that the spontaneous scatttering process, which is absent in the purely collisionless theory, is singularly responsible for the generation of κ distributions. The conclusion is that purely collisionless Vlasov theory cannot produce suprathermal population.

Space-Charge Waves and Instabilities in Intense Beams

NASA Astrophysics Data System (ADS)

Wang, J. G.

1997-11-01

Advancced accelerator applications, such as drivers for heavy ion inertial fusion, high-intensity synchrotrons for spallation neutron sources, high energy boosters, free electron lasers, high-power microwave generators, etc., require ever-increasing beam intensity. An important beam dynamics issue in such beams is the collective behavior of charged particles due to their space charge effects. This includes the phenomena of space-charge waves and instabilities excited on beams by external perturbations. It is very crucial to fully understand these phenomena in order to develop advanced accelerators for various applications. At the University of Maryland we have been conducting experimental programs to study space-charge waves and longitudinal instabilities by employing low-energy, high-current, space-charge dominated electron beams. Localized perturbations on the beams are generated from a gridded electron gun. In a conducting transport channel focused by short solenoids, these perturbations evolve into space-charge waves propagating on the beams. The wave speed is measured and many beam parameters are determined with this technique. The reflection of space-charge waves at the shoulder of an initially rectangular beam bunch is also observed. In a resistive-wall channel focused by a uniform long solenoid, the space-charge waves suffer longitudinal instability. The properties of the instabilities are studied in detail in the long wavelength range. In this talk we review our experimental results on the waves and instabilities and compare with theory.

Mass spectrometer with electron source for reducing space charge effects in sample beam

DOEpatents

Houk, Robert S.; Praphairaksit, Narong

2003-10-14

A mass spectrometer includes an ion source which generates a beam including positive ions, a sampling interface which extracts a portion of the beam from the ion source to form a sample beam that travels along a path and has an excess of positive ions over at least part of the path, thereby causing space charge effects to occur in the sample beam due to the excess of positive ions in the sample beam, an electron source which adds electrons to the sample beam to reduce space charge repulsion between the positive ions in the sample beam, thereby reducing the space charge effects in the sample beam and producing a sample beam having reduced space charge effects, and a mass analyzer which analyzes the sample beam having reduced space charge effects.

Applying simulation model to uniform field space charge distribution measurements by the PEA method

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

Liu, Y.; Salama, M.M.A.

1996-12-31

Signals measured under uniform fields by the Pulsed Electroacoustic (PEA) method have been processed by the deconvolution procedure to obtain space charge distributions since 1988. To simplify data processing, a direct method has been proposed recently in which the deconvolution is eliminated. However, the surface charge cannot be represented well by the method because the surface charge has a bandwidth being from zero to infinity. The bandwidth of the charge distribution must be much narrower than the bandwidths of the PEA system transfer function in order to apply the direct method properly. When surface charges can not be distinguished frommore » space charge distributions, the accuracy and the resolution of the obtained space charge distributions decrease. To overcome this difficulty a simulation model is therefore proposed. This paper shows their attempts to apply the simulation model to obtain space charge distributions under plane-plane electrode configurations. Due to the page limitation for the paper, the charge distribution originated by the simulation model is compared to that obtained by the direct method with a set of simulated signals.« less

Electrostatic Structure and Double-Probe Performance in Tenuous Plasmas

NASA Astrophysics Data System (ADS)

Cully, C. M.; Ergun, R. E.

2006-12-01

Many in-situ plasma instruments are affected by the local electrostatic structure surrounding the spacecraft. In order to better understand this structure, we have developed a fully 3-dimensional self-consistent model that uses realistic spacecraft geometry, including thin (<1 mm) wires and long (>100m) booms, with open boundary conditions. One of the more surprising results is that in tenuous plasmas, the charge on the booms can dominate over the charge on the spacecraft body. For instruments such as electric field double probes and boom-mounted low-energy particle detectors, this challenges the existing paradigm: long booms do not allow the probes to escape the spacecraft potential. Instead, the potential structure simply expands as the boom is deployed. We then apply our model to the double-probe Electric Field and Waves (EFW) instruments on Cluster, and predict the magnitudes of the main error sources. The overall error budget is consistent with experiment, and the model yields some additional interesting insights. We show that the charge in the photoelectron cloud is relatively unimportant, and that the spacecraft potential is typically underestimated by about 20% by double-probe experiments.

Electromagnetic effects as a new source of information on the space-time evolution of heavy ion collisions

NASA Astrophysics Data System (ADS)

Davis, Nikolaos; Rybicki, Andrzej; Szczurek, Antoni

2017-12-01

We review our studies of spectator-induced electromagnetic (EM) effects on charged pion emission in ultrarelativistic heavy ion collisions. These effects are found to consist in the electromagnetic charge splitting of pion directed flow as well as very large distortions in spectra and ratios of produced charged particles. As it emerges from our analysis, they offer sensitivity to the actual distance, dE, between the pion formation zone at freeze-out and the spectator matter. As a result, this offers a new possibility of studying the space-time evolution of dense and hot matter created in the course of the collision. Having established that dE traces the longitudinal evolution of the system and therefore rapidly decreases as a function of pion rapidity, we investigate the latter finding in view of pion feed-over from intermediate resonance production. As a result, we obtain a first estimate of the pion decoupling time from EM effects which we compare to existing HBT data. We conclude that spectator-induced EM interactions can serve as a new tool for studying the space-time characteristics and longitudinal evolution of the system. We discuss the future perspectives for this activity on the basis of existing and future data from the NA61/SHINE experiment.

Adsorption of hydrophobin on different self-assembled monolayers: the role of the hydrophobic dipole and the electric dipole.

PubMed

Peng, Chunwang; Liu, Jie; Zhao, Daohui; Zhou, Jian

2014-09-30

In this work, the adsorptions of hydrophobin (HFBI) on four different self-assembled monolayers (SAMs) (i.e., CH3-SAM, OH-SAM, COOH-SAM, and NH2-SAM) were investigated by parallel tempering Monte Carlo and molecular dynamics simulations. Simulation results indicate that the orientation of HFBI adsorbed on neutral surfaces is dominated by a hydrophobic dipole. HFBI adsorbs on the hydrophobic CH3-SAM through its hydrophobic patch and adopts a nearly vertical hydrophobic dipole relative to the surface, while it is nearly horizontal when adsorbed on the hydrophilic OH-SAM. For charged SAM surfaces, HFBI adopts a nearly vertical electric dipole relative to the surface. HFBI has the narrowest orientation distribution on the CH3-SAM, and thus can form an ordered monolayer and reverse the wettability of the surface. For HFBI adsorption on charged SAMs, the adsorption strength weakens as the surface charge density increases. Compared with those on other SAMs, a larger area of the hydrophobic patch is exposed to the solution when HFBI adsorbs on the NH2-SAM. This leads to an increase of the hydrophobicity of the surface, which is consistent with the experimental results. The binding of HFBI to the CH3-SAM is mainly through hydrophobic interactions, while it is mediated through a hydration water layer near the surface for the OH-SAM. For the charged SAM surfaces, the adsorption is mainly induced by electrostatic interactions between the charged surfaces and the oppositely charged residues. The effect of a hydrophobic dipole on protein adsorption onto hydrophobic surfaces is similar to that of an electric dipole for charged surfaces. Therefore, the hydrophobic dipole may be applied to predict the probable orientations of protein adsorbed on hydrophobic surfaces.

Quantum-Size Dependence of the Energy for Vacancy Formation in Charged Small Metal Clusters. Drop Model

NASA Astrophysics Data System (ADS)

Pogosov, V. V.; Reva, V. I.

2018-04-01

Self-consistent computations of the monovacancy formation energy are performed for Na N , Mg N , and Al N (12 < N ≤ 168) spherical clusters in the drop model for stable jelly. Scenarios of the Schottky vacancy formation and "bubble vacancy blowing" are considered. It is shown that the asymptotic behavior of the size dependences of the energy for the vacancy formation by these two mechanisms is different and the difference between the characteristics of a charged and neutral cluster is entirely determined by the difference between the ionization potentials of clusters and the energies of electron attachment to them.

Quantum motion of a point particle in the presence of the Aharonov–Bohm potential in curved space

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

Silva, Edilberto O., E-mail: edilbertoo@gmail.com; Ulhoa, Sérgio C., E-mail: sc.ulhoa@gmail.com; Andrade, Fabiano M., E-mail: f.andrade@ucl.ac.uk

The nonrelativistic quantum dynamics of a spinless charged particle in the presence of the Aharonov–Bohm potential in curved space is considered. We chose the surface as being a cone defined by a line element in polar coordinates. The geometry of this line element establishes that the motion of the particle can occur on the surface of a cone or an anti-cone. As a consequence of the nontrivial topology of the cone and also because of two-dimensional confinement, the geometric potential should be taken into account. At first, we establish the conditions for the particle describing a circular path in suchmore » a context. Because of the presence of the geometric potential, which contains a singular term, we use the self-adjoint extension method in order to describe the dynamics in all space including the singularity. Expressions are obtained for the bound state energies and wave functions. -- Highlights: •Motion of particle under the influence of magnetic field in curved space. •Bound state for Aharonov–Bohm problem. •Particle describing a circular path. •Determination of the self-adjoint extension parameter.« less

Ion Scattering in a Self-Consistent Cylindrical Plasma Sheath

DTIC Science & Technology

2005-04-01

ELEMENT NUMBER 61102F 6. AUTHORS 5d. PROJECT NUMBER Shana S. Figueroa , D.L. Cooke, and Nikos A. Gatsonis* 5021 59. TASK NUMBER RS 5f. WORK UNIT... Adrian WheelockPAGES 19B. TELEPHONE NUMBER (include area code) UNCL UNCL UNCL Standard Form 298 (Rev. 8/98) Prescribed by ANSI Std. Z39.18 AFRL-VS-HA-TR...1007-1095 Ion scattering in a Self-consistent Cylindrical Plasma Sheath Shana S. Figueroa and David L. Cooke Air Force Research Laboratory, Space

The Construction (Using Multi-Media Techniques) of Certain Modules of a Programmed Course in Astronomy-Space Sciences for NASA Personnel of The Goddard Space Flight Center, Greenbelt, Maryland.

ERIC Educational Resources Information Center

Collagan, Robert B.

This paper describes the development of a self-instructional multi-media course in astronomy-space sciences for non-technical NASA personnel. The course consists of a variety of programed materials including slides, films, film-loops, filmstrips video-tapes and audio-tapes, on concepts of time, space, and matter in our solar system and galaxy.…

Direct detection of WIMPs: implications of a self-consistent truncated isothermal model of the Milky Way's dark matter halo

NASA Astrophysics Data System (ADS)

Chaudhury, Soumini; Bhattacharjee, Pijushpani; Cowsik, Ramanath

2010-09-01

Direct detection of Weakly Interacting Massive Particle (WIMP) candidates of Dark Matter (DM) is studied within the context of a self-consistent truncated isothermal model of the finite-size dark halo of the Galaxy. The halo model, based on the ``King model'' of the phase space distribution function of collisionless DM particles, takes into account the modifications of the phase-space structure of the halo due to the gravitational influence of the observed visible matter in a self-consistent manner. The parameters of the halo model are determined by a fit to a recently determined circular rotation curve of the Galaxy that extends up to ~ 60 kpc. Unlike in the Standard Halo Model (SHM) customarily used in the analysis of the results of WIMP direct detection experiments, the velocity distribution of the WIMPs in our model is non-Maxwellian with a cut-off at a maximum velocity that is self-consistently determined by the model itself. For our halo model that provides the best fit to the rotation curve data, the 90% C.L. upper limit on the WIMP-nucleon spin-independent cross section from the recent results of the CDMS-II experiment, for example, is ~ 5.3 × 10-8 pb at a WIMP mass of ~ 71 GeV. We also find, using the original 2-bin annual modulation amplitude data on the nuclear recoil event rate seen in the DAMA experiment, that there exists a range of small WIMP masses, typically ~ 2-16 GeV, within which DAMA collaboration's claimed annual modulation signal purportedly due to WIMPs is compatible with the null results of other experiments. These results, based as they are on a self-consistent model of the dark matter halo of the Galaxy, strengthen the possibility of low-mass (lsim10 GeV) WIMPs as a candidate for dark matter as indicated by several earlier studies performed within the context of the SHM. A more rigorous analysis using DAMA bins over smaller intervals should be able to better constrain the ``DAMA regions'' in the WIMP parameter space within the context of our model.

Self-Management: Taking Charge of Your Health

MedlinePlus

... Childbirth Women Men Seniors Your Health Resources Healthcare Management End-of-Life Issues Insurance & Bills Self Care ... You NeedFood Poisoning Home Your Health Resources Healthcare Management Self-care Self-management: Taking Charge of Your ...

The role of the extracellular matrix in tissue distribution of macromolecules in normal and pathological tissues: potential therapeutic consequences.

PubMed

Wiig, Helge; Gyenge, Christina; Iversen, Per Ole; Gullberg, Donald; Tenstad, Olav

2008-05-01

The interstitial space is a dynamic microenvironment that consists of interstitial fluid and structural molecules of the extracellular matrix, such as glycosaminoglycans (hyaluronan and proteoglycans) and collagen. Macromolecules can distribute in the interstitium only in those spaces unoccupied by structural components, a phenomenon called interstitial exclusion. The exclusion phenomenon has direct consequences for plasma volume regulation. Early studies have assigned a major role to collagen as an excluding agent that accounts for the sterical (geometrical) exclusion. More recently, it has been shown that the contribution of negatively charged glycosaminoglycans might also be significant, resulting in an additional electrostatical exclusion effect. This charge effect may be of importance for drug uptake and suggests that either the glycosaminoglycans or the net charge of macromolecular substances to be delivered may be targeted to increase the available volume and uptake of macromolecular therapeutic agents in tumor tissue. Here, we provide an overview of the structural components of the interstitium and discuss the importance the sterical and electrostatical components have on the dynamics of transcapillary fluid exchange.

Self-force as a probe of global structure

NASA Astrophysics Data System (ADS)

Davidson, Karl; Poisson, Eric

2018-05-01

We calculate the self-force on an electric charge and electric dipole held at rest in a closed universe that results from joining two copies of Minkowski spacetime at a common boundary. Spacetime is strictly flat on each side of the boundary, but there is curvature at the surface layer required to join the two Minkowski spacetimes. We find that the self-force on the charge is always directed away from the surface layer. This is analogous to the case of an electric charge held at rest inside a spherical shell of matter, for which the self-force is also directed away from the shell. For the dipole, the direction of the self-force is a function of the dipole's position and orientation. Both self-forces become infinite when the charge or dipole is made to approach the surface layer. This study reveals that a self-force can arise even when the Riemann tensor vanishes at the position of the charge or dipole; in such cases the self-force is a manifestation of the global curvature of spacetime.

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

Meusel, O., E-mail: o.meusel@iap.uni-frankfurt.de; Droba, M.; Noll, D.

The transport of intense ion beams is affected by the collective behavior of this kind of multi-particle and multi-species system. The space charge expressed by the generalized perveance dominates the dynamical process of thermalisation, which leads to emittance growth. To prevent changes of intrinsic beam properties and to reduce the intensity dependent focusing forces, space charge compensation seems to be an adequate solution. In the case of positively charged ion beams, electrons produced by residual gas ionization and secondary electrons provide the space charge compensation. The influence of the compensation particles on the beam transport and the local degree ofmore » space charge compensation is given by different beam properties as well as the ion beam optics. Especially for highly charged ion beams, space charge compensation in combination with poor vacuum conditions leads to recombination processes and therefore increased beam losses. Strategies for providing a compensation-electron reservoir at very low residual gas pressures will be discussed.« less

Development and Application of a Wireless Sensor for Space Charge Density Measurement in an Ultra-High-Voltage, Direct-Current Environment

PubMed Central

Xin, Encheng; Ju, Yong; Yuan, Haiwen

2016-01-01

A space charge density wireless measurement system based on the idea of distributed measurement is proposed for collecting and monitoring the space charge density in an ultra-high-voltage direct-current (UHVDC) environment. The proposed system architecture is composed of a number of wireless nodes connected with space charge density sensors and a base station. The space charge density sensor based on atmospheric ion counter method is elaborated and developed, and the ARM microprocessor and Zigbee radio frequency module are applied. The wireless network communication quality and the relationship between energy consumption and transmission distance in the complicated electromagnetic environment is tested. Based on the experimental results, the proposed measurement system demonstrates that it can adapt to the complex electromagnetic environment under the UHVDC transmission lines and can accurately measure the space charge density. PMID:27775627

Development and Application of a Wireless Sensor for Space Charge Density Measurement in an Ultra-High-Voltage, Direct-Current Environment.

PubMed

Xin, Encheng; Ju, Yong; Yuan, Haiwen

2016-10-20

A space charge density wireless measurement system based on the idea of distributed measurement is proposed for collecting and monitoring the space charge density in an ultra-high-voltage direct-current (UHVDC) environment. The proposed system architecture is composed of a number of wireless nodes connected with space charge density sensors and a base station. The space charge density sensor based on atmospheric ion counter method is elaborated and developed, and the ARM microprocessor and Zigbee radio frequency module are applied. The wireless network communication quality and the relationship between energy consumption and transmission distance in the complicated electromagnetic environment is tested. Based on the experimental results, the proposed measurement system demonstrates that it can adapt to the complex electromagnetic environment under the UHVDC transmission lines and can accurately measure the space charge density.

Phase sensitive molecular dynamics of self-assembly glycolipid thin films: A dielectric spectroscopy investigation

NASA Astrophysics Data System (ADS)

Velayutham, T. S.; Ng, B. K.; Gan, W. C.; Majid, W. H. Abd.; Hashim, R.; Zahid, N. I.; Chaiprapa, Jitrin

2014-08-01

Glycolipid, found commonly in membranes, is also a liquid crystal material which can self-assemble without the presence of a solvent. Here, the dielectric and conductivity properties of three synthetic glycolipid thin films in different thermotropic liquid crystal phases were investigated over a frequency and temperature range of (10-2-106 Hz) and (303-463 K), respectively. The observed relaxation processes distinguish between the different phases (smectic A, columnar/hexagonal, and bicontinuous cubic Q) and the glycolipid molecular structures. Large dielectric responses were observed in the columnar and bicontinuous cubic phases of the longer branched alkyl chain glycolipids. Glycolipids with the shortest branched alkyl chain experience the most restricted self-assembly dynamic process over the broad temperature range studied compared to the longer ones. A high frequency dielectric absorption (Process I) was observed in all samples. This is related to the dynamics of the hydrogen bond network from the sugar group. An additional low-frequency mechanism (Process II) with a large dielectric strength was observed due to the internal dynamics of the self-assembly organization. Phase sensitive domain heterogeneity in the bicontinuous cubic phase was related to the diffusion of charge carriers. The microscopic features of charge hopping were modelled using the random walk scheme, and two charge carrier hopping lengths were estimated for two glycolipid systems. For Process I, the hopping length is comparable to the hydrogen bond and is related to the dynamics of the hydrogen bond network. Additionally, that for Process II is comparable to the bilayer spacing, hence confirming that this low-frequency mechanism is associated with the internal dynamics within the phase.

Residential Photovoltaic/Thermal Energy System

NASA Technical Reports Server (NTRS)

Selcuk, M. K.

1987-01-01

Proposed system supplies house with both heat and electricity. Pair of reports describes concept for self-sufficient heating, cooling, and power-generating system for house. Panels on walls of house provide hot water, space heating, and heat to charge heat-storage system, and generate electricity for circulation pumps and fans. Roof panels generate electricity for household, operate heat pump for summer cooling, and provide supplementary winter heating via heat pump, using solar-cell cooling-fluid loop. Wall and roof panels used independently.

Effective cluster interactions at alloy surfaces and charge self-consistency: Surface segregation in Ni-10 at. % Al and Cu-Ni

NASA Astrophysics Data System (ADS)

Schulthess, T.; Monnier, R.; Crampin, S.

1994-12-01

First-principles results are presented for the effective cluster interactions at the surface of a random Ni-10 at. % Al alloy. The derivation is based on an extension of the generalized perturbation method to semi-infinite inhomogeneous binary alloys, using a layer version of the Korringa-Kohn-Rostocker multiple-scattering approach in conjunction with the single-site coherent potential approximation to compute the self-consistent electronic structure of the system. When applied to the bulk, the method yields effective pair interactions that have the full point-group symmetry of the lattice to a very high level of numerical accuracy, despite the fact that intra- and interlayer couplings (scattering-path operators) are treated differently, and which are in perfect agreement with those of a recent three-dimensional treatment. Besides the pair terms, a selected class of triplet and quadruplet interactions are calculated, as well as the point interactions induced by the presence of the surface. The value of the latter in the first lattice plane is strongly exaggerated in our approach, leading to a complete segregation of the minority species to the surface. Using a value corresponding to the difference in the surface energies of the pure components for this term leads to the observed Al concentration of ~=25% at the surface. Possible reasons for the shortcomings of the theory are analyzed, and test calculations for the well studied Cu-Ni system show that the free energy of the semi-infinite alloy cannot be approximated by the sum over the single-particle band energies, once charge self-consistency is enforced at the surface.

Debye ring diffraction elucidation of 2D photonic crystal self-assembly and ordering at the air-water interface.

PubMed

Smith, N L; Coukouma, A; Dubnik, S; Asher, S A

2017-12-06

We fabricate 2D photonic crystals (2DPC) by spreading a dispersion of charged colloidal particles (diameters = 409, 570, and 915 nm) onto the surface of electrolyte solutions using a needle tip flow method. When the interparticle electrostatic interaction potential is large, particles self-assemble into highly ordered hexagonal close packed (hcp) monolayers. Ordered 2DPC efficiently forward diffract monochromatic light to produce a Debye ring on a screen parallel to the 2DPC. The diameter of the Debye ring is inversely proportional to the 2DPC particle spacing, while the Debye ring brightness and thickness depends on the 2DPC ordering. The Debye ring thickness increases as the 2DPC order decreases. The Debye ring ordering measurements of 2DPC attached to glass slides track measurements of the 2D pair correlation function order parameter calculated from SEM micrographs. The Debye ring method was used to investigate the 2DPC particle spacing, and ordering at the air-solution interface of NaCl solutions, and for 2DPC arrays attached to glass slides. Surprisingly, the 2DPC ordering does not monotonically decrease as the salt concentration increases. This is because of chloride ion adsorption onto the anionic particle surfaces. This adsorption increases the particle surface charge and compensates for the decreased Debye length of the electric double layer when the NaCl concentration is below a critical value.

ac aging and space-charge characteristics in low-density polyethylene polymeric insulation

NASA Astrophysics Data System (ADS)

Chen, G.; Fu, M.; Liu, X. Z.; Zhong, L. S.

2005-04-01

In the present work efforts have been made to investigate the influence of ac aging on space-charge dynamics in low-density polyethylene (LDPE). LDPE films with 200 μm were aged under various electric stress levels at 50 Hz for various times at ambient temperature. Space-charge dynamics in the samples after aging were monitored using the pulsed electroacoustic technique. It has been revealed that the space charge under ac aging conditions is related to the level of the applied field, duration of the voltage application, as well as the electrode materials. By comparing with the results of unaged sample the results from aged sample provide a direct evidence of changing trapping characteristics after ac aging. Negative space charge is present in the bulk of the material and the total amount of charge increases with the aging time. The amount of charge increases with the applied field. Charge decay test indicates that the charges are captured in deep traps. These deep traps are believed to form during the aging and related to change caused by injected charge. By using different electrode materials such as gold, brass alloy, and polyethylene loaded with carbon black, it was found that the electrode has an important role in the formation of charge, hence subsequent changes caused by charge. The charge dynamics of the aged samples under dc bias differ from the sample without ac aging, indicating changes brought in by ac aging. Chemical analysis by Fourier transform infrared spectroscope and Raman microscope reveals no detectable chemical changes taken place in the bulk of the material after ac aging. Finally, the consequence of the accumulation of space charge under ac conditions on the lifetime of the material has been discussed. The presence of deeply trapped space charge leads to an electric stress enhancement which may shorten the lifetime of the insulation system.

Space Weather Monitoring for ISS Space Environments Engineering and Crew Auroral Observations

NASA Technical Reports Server (NTRS)

Minow, Joseph; Pettit, Donald R.; Hartman, William A.

2012-01-01

Today s presentation describes how real time space weather data is used by the International Space Station (ISS) space environments team to obtain data on auroral charging of the ISS vehicle and support ISS crew efforts to obtain auroral images from orbit. Topics covered include: Floating Potential Measurement Unit (FPMU), . Auroral charging of ISS, . Real ]time space weather monitoring resources, . Examples of ISS auroral charging captured from space weather events, . ISS crew observations of aurora.

The Effects of Neutral Gas Release on Vehicle Charging: Experiment and Theory

NASA Astrophysics Data System (ADS)

Walker, D. N.; Amatucci, W. E.; Bowles, J. H.; Fernsler, R. F.; Siefring, C. L.; Antoniades, J. A.; Keskinen, M. J.

1998-11-01

This paper describes an experimental and theoretical research effort related to the mitigation of spacecraft charging by Neutral Gas Release (NGR). The Space Power Experiments Aboard Rockets programs (SPEAR I and III) [Mandel et al., 1998; Berg et al., 1995] and other earlier efforts have demonstrated that NGR is an effective method of controlling discharges in space. The laboratory experimentswere conducted in the large volume Space Physics Simulation Chamber (SPSC) at the Naval Research Laboratory (NRL). A realistic near-earth space environment can be simulated in this device for whichminimumscalingneeds to be performedtorelate the data to space plasma regimes. This environment is similar to that encountered by LEO spacecraft, e.g., the Space Station, Shuttle, and high inclination satellites. The experimental arrangement consists of an aluminum cylinder which can be biased to high negative voltage (0.4 kV

A theoretical study of bond selective photochemistry in CH2BrI

NASA Astrophysics Data System (ADS)

Liu, Kun; Zhao, Hongmei; Wang, Caixia; Zhang, Aihua; Ma, Siyu; Li, Zonghe

2005-01-01

Bromoiodomethane photodissociation in the low-lying excited states has been characterized using unrestricted Hartree-Fock, configuration-interaction-singles, and complete active space self-consistent field calculations with the SDB-aug-cc-pVTZ, aug-cc-pVTZ, and 3-21g** basis sets. According to the results of the vertical excited energies and oscillator strengths of these low-lying excited states, bond selectivity is predicted. Subsequently, the minimum energy paths of the first excited singlet state and the third excited state for the dissociation reactions were calculated using the complete active space self-consistent field method with 3-21g** basis set. Good agreement is found between the calculations and experimental data. The relationships of excitations, the electronic structures at Franck-Condon points, and bond selectivity are discussed.

Quantum Model of a Charged Black Hole

NASA Astrophysics Data System (ADS)

Gladush, V. D.

A canonical approach for constructing of the classical and quantum description spherically-symmetric con guration gravitational and electromagnetic elds is considered. According to the sign of the square of the Kodama vector, space-time is divided into R-and T-regions. By virtue of the generalized Birkho theorem, one can choose coordinate systems such that the desired metric functions in the T-region depend on the time, and in the R-domain on the space coordinate. Then, the initial action for the con guration breaks up into terms describing the elds in the T- and R-regions with the time and space evolutionary variable, respectively. For these regions, Lagrangians of the con guration are constructed, which contain dynamic and non-dynamic degrees of freedom, leading to constrains. We concentrate our attention on dynamic T-regions. There are two additional conserved physical quantities: the charge and the total mass of the system. The Poisson bracket of the total mass with the Hamiltonian function vanishes in the weak sense. A classical solution of the eld equations in the con guration space (minisuperspace) is constructed without xing non-dynamic variable. In the framework of the canonical approach to the quantum mechanics of the system under consideration, physical states are found by solving the Hamiltonian constraint in the operator form (the DeWitt equation) for the system wave function Ψ. It also requires that Ψ is an eigenfunction of the operators of charge and total mass. For the symmetric of the mass operator the corresponding ordering of operators is carried out. Since the total mass operator commutes with the Hamiltonian in the weak sense, its eigenfunctions must be constructed in conjunction with the solution of the DeWitt equation. The consistency condition leads to the ansatz, with the help of which the solution of the DeWitt equation for the state Ψem with a defined total mass and charge is constructed, taking into account the regularity condition on the horizon. The mass and charge spectra of the con guration in this approach turn out to be continuous. It is interesting that formal quantization in the R-region with a space evolutionary coordinate leads to a similar result.

Understanding performance limitation and suppression of leakage current or self-discharge in electrochemical capacitors: a review.

PubMed

Ike, Innocent S; Sigalas, Iakovos; Iyuke, Sunny

2016-01-14

Self-discharge is known to have considerable adverse effects on the performance and application of electrochemical capacitors (ECs). Thus, obtaining an understanding of EC self-discharge mechanism(s) and subsequent derivation and solution of EC models, subject to a particular mechanism or combination of mechanisms during charging, discharging and storage of the device, is the only way to solve problems associated with EC self-discharge. In this review, we summarize recent progress with respect to EC self-discharge by considering the two basic types, electric double-layer capacitors (EDLC) and pseudocapacitors, and their hybrids with their respective charge storage mechanisms, distinguishable self-discharge mechanisms, charge redistribution and charge/energy loss during self-discharge. It was clearly observed that most of the voltage reduction is not purely due to the self-discharge effect but is basically due to redistribution of charge carriers deep inside pores and can therefore be retrieved from a capacitor during long-time discharging. Tuning the self-discharge rate is therefore feasible for single-walled carbon nanotube (SWNT) ECs and can be achieved by simply adjusting the surface chemistry of the nanotubes. The effects of surface chemistry modification on EC self-discharge are very important in studying and suppressing the self-discharge process and will benefit potential applications of ECs with respect to energy retention. Self-discharge can be averted by the use of redox couples that are transformed to insoluble species via electrolysis and adsorbed onto the activated carbon electrode in redox-couple EDLCs, thus transforming the EDLC electrolyte into a material that can store charge. Self-discharge in ECs can also be successfully suppressed by utilizing an ion-interchange layer (ion-exchange membrane), separator or CuSO4 mobile electrolyte that can be converted into an insoluble species by electrolysis during the charge/discharge process. This will help in producing a modern-day blueprint for ECs with high capacitance and improved energy sustainability.

High conductance values in π-folded molecular junctions

NASA Astrophysics Data System (ADS)

Carini, Marco; Ruiz, Marta P.; Usabiaga, Imanol; Fernández, José A.; Cocinero, Emilio J.; Melle-Franco, Manuel; Diez-Perez, Ismael; Mateo-Alonso, Aurelio

2017-05-01

Folding processes play a crucial role in the development of function in biomacromolecules. Recreating this feature on synthetic systems would not only allow understanding and reproducing biological functions but also developing new functions. This has inspired the development of conformationally ordered synthetic oligomers known as foldamers. Herein, a new family of foldamers, consisting of an increasing number of anthracene units that adopt a folded sigmoidal conformation by a combination of intramolecular hydrogen bonds and aromatic interactions, is reported. Such folding process opens up an efficient through-space charge transport channel across the interacting anthracene moieties. In fact, single-molecule conductance measurements carried out on this series of foldamers, using the scanning tunnelling microscopy-based break-junction technique, reveal exceptionally high conductance values in the order of 10-1 G0 and a low length decay constant of 0.02 Å-1 that exceed the values observed in molecular junctions that make use of through-space charge transport pathways.

Storm time plasma transport in a unified and inter-coupled global magnetosphere model

NASA Astrophysics Data System (ADS)

Ilie, R.; Liemohn, M. W.; Toth, G.

2014-12-01

We present results from the two-way self-consistent coupling between the kinetic Hot Electron and Ion Drift Integrator (HEIDI) model and the Space Weather Modeling Framework (SWMF). HEIDI solves the time dependent, gyration and bounced averaged kinetic equation for the phase space density of different ring current species and computes full pitch angle distributions for all local times and radial distances. During geomagnetic times the dipole approximation becomes unsuitable even in the inner magnetosphere. Therefore the HEIDI model was generalized to accommodate an arbitrary magnetic field and through the coupling with SWMF it obtains a magnetic field description throughout the HEIDI domain along with a plasma distribution at the model outer boundary from the Block Adaptive Tree Solar Wind Roe Upwind Scheme (BATS-R-US) magnetohydrodynamics (MHD) model within SWMF. Electric field self-consistency is assured by the passing of convection potentials from the Ridley Ionosphere Model (RIM) within SWMF. In this study we test the various levels of coupling between the 3 physics based models, highlighting the role that the magnetic field, plasma sheet conditions and the cross polar cap potential play in the formation and evolution of the ring current. We show that the dynamically changing geospace environment itself plays a key role in determining the geoeffectiveness of the driver. The results of the self-consistent coupling between HEIDI, BATS-R-US and RIM during disturbed conditions emphasize the importance of a kinetic self-consistent approach to the description of geospace.

Neurochemical differences in learning and memory paradigms among rats supplemented with anthocyanin-rich blueberry diets and exposed to acute doses of 56Fe particles

USDA-ARS?s Scientific Manuscript database

The protective effects of anthocyanin-rich blueberries (BB) on brain health are well documented and are particularly important under conditions of high oxidative stress, which can lead to “accelerated aging.” One such scenario is exposure to space radiation, consisting of high-energy and -charge par...

Theoretical Characterization of Charge Transport in Chromia (α-Cr2O3)

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

Iordanova, Nellie I.; Dupuis, Michel; Rosso, Kevin M.

2005-08-15

Transport of conduction electrons and holes through the lattice of ?-Cr2O3 (chromia) is modeled as a valence alternation of chromium cations using ab initio electronic structure calculations and electron transfer theory. In the context of the small polaron model, a cluster approach was used to compute quantities controlling the mobility of localized electrons and holes, i.e. the reorganization energy and the electronic coupling matrix element that enter Marcus? theory. The calculation of the electronic coupling followed the Generalized Mulliken-Hush approach and the quasi-diabatic method using the complete active space self-consistent field (CASSCF) method. Our findings indicate that hole mobility ismore » more than three orders of magnitude larger than electron mobility in both (001) and [001] lattice directions. The difference arises mainly from the larger internal reorganization energy calculated for electron transport relative to hole transport processes while electronic couplings have similar magnitudes. The much larger hole mobility vs electron mobility in ?-Cr2O3 is in contrast to similar hole and electron mobility in hematite ?-Fe2O3 previously calculated. Our calculations also indicate that the electronic coupling for all charge transfer processes of interest is smaller than for the corresponding processes in hematite. This variation is attributed to weaker interaction between the metal 3d states and the O(2p) states in chromia than in hematite, leading to smaller overlap between the charge transfer donor and acceptor wavefunctions and smaller super-exchange coupling in chromia. Nevertheless, the weaker coupling in chromia is still sufficiently large to suggest that charge transport processes in chromia are adiabatic in nature. The electronic coupling is found to depend on both the superexchange interaction through the bridging oxygen atoms and the d-shell electron spin coupling within the Cr-Cr donor-acceptor pair, while the reorganization energy is essentially independent of the electron spin coupling.« less

Theoretical characterization of charge transport in chromia (α-Cr2O3)

NASA Astrophysics Data System (ADS)

Iordanova, N.; Dupuis, M.; Rosso, K. M.

2005-08-01

Transport of conduction electrons and holes through the lattice of α-Cr2O3 (chromia) is modeled as a valence alternation of chromium cations using ab initio electronic structure calculations and electron-transfer theory. In the context of the small polaron model, a cluster approach was used to compute quantities controlling the mobility of localized electrons and holes, i.e., the reorganization energy and the electronic coupling matrix element that enter Marcus' theory. The calculation of the electronic coupling followed the generalized Mulliken-Hush approach using the complete active space self-consistent-field (CASSCF) method and the quasidiabatic method. Our findings indicate that hole mobility is more than three orders of magnitude larger than electron mobility in both (001) and [001] lattice directions. The difference arises mainly from the larger internal reorganization energy calculated for electron-transport relative to hole-transport processes while electronic couplings have similar magnitudes. The much larger hole mobility versus electron mobility in α-Cr2O3 is in contrast to similar hole and electron mobilities in hematite α-Fe2O3 previously calculated. Our calculations also indicate that the electronic coupling for all charge-transfer processes of interest is smaller than for the corresponding processes in hematite. This variation is attributed to the weaker interaction between the metal 3d states and the O(2p ) states in chromia than in hematite, leading to a smaller overlap between the charge-transfer donor and acceptor wave functions and smaller superexchange coupling in chromia. Nevertheless, the weaker coupling in chromia is still sufficiently large to suggest that charge-transport processes in chromia are adiabatic in nature. The electronic coupling is found to depend on both the superexchange interaction through the bridging oxygen atoms and the d-shell electron-spin coupling within the Cr-Cr donor-acceptor pair, while the reorganization energy is essentially independent of the electron-spin coupling.

New functionalities of potassium tantalate niobate deflectors enabled by the coexistence of pre-injected space charge and composition gradient

NASA Astrophysics Data System (ADS)

Zhu, Wenbin; Chao, Ju-Hung; Chen, Chang-Jiang; Campbell, Adrian L.; Henry, Michael G.; Yin, Stuart Shizhuo; Hoffman, Robert C.

2017-10-01

In most beam steering applications such as 3D printing and in vivo imaging, one of the essential challenges has been high-resolution high-speed multi-dimensional optical beam scanning. Although the pre-injected space charge controlled potassium tantalate niobate (KTN) deflectors can achieve speeds in the nanosecond regime, they deflect in only one dimension. In order to develop a high-resolution high-speed multi-dimensional KTN deflector, we studied the deflection behavior of KTN deflectors in the case of coexisting pre-injected space charge and composition gradient. We find that such coexistence can enable new functionalities of KTN crystal based electro-optic deflectors. When the direction of the composition gradient is parallel to the direction of the external electric field, the zero-deflection position can be shifted, which can reduce the internal electric field induced beam distortion, and thus enhance the resolution. When the direction of the composition gradient is perpendicular to the direction of the external electric field, two-dimensional beam scanning can be achieved by harnessing only one single piece of KTN crystal, which can result in a compact, high-speed two-dimensional deflector. Both theoretical analyses and experiments are conducted, which are consistent with each other. These new functionalities can expedite the usage of KTN deflection in many applications such as high-speed 3D printing, high-speed, high-resolution imaging, and free space broadband optical communication.

Solar wind/local interstellar medium interaction including charge exchange with neural hydrogen

NASA Technical Reports Server (NTRS)

Pauls, H. Louis; Zank, Gary P.

1995-01-01

We present results from a hydrodynamic model of the interaction of the solar wind with the local interstellar medium (LISM), self-consistently taking into account the effects of charge exchange between the plasma component and the interstellar neutrals. The simulation is fully time dependent, and is carried out in two or three dimensions, depending on whether the helio-latitudinal dependence of the solar wind speed and number density (both giving rise to three dimensional effects) are included. As a first approximation it is assumed that the neutral component of the flow can be described by a single, isotropic fluid. Clearly, this is not the actual situation, since charge exchange with the supersonic solar wind plasma in the region of the nose results in a 'second' neutral fluid propagating in the opposite direction as that of the LISM neutrals.

Chemical Physics of Charge Mechanisms in Nonmetallic Spacecraft Materials.

DTIC Science & Technology

1979-05-01

techniques may not provide data truly representative of actual in-orbit space - craft charging effects . The results of the discharge characterization...phenomena, commonly referred to collectively as space - !. craft charging effects , can produce undesirable and sometimes serious prob- lems with the...lifetime of future space systems requires a practical understanding of spacecraft charging phenomena and their effects . The laboratory program

Effect of Fe{sub 3}O{sub 4} nanoparticles on space charge distribution in propylene carbonate under impulse voltage

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

Sima, Wenxia, E-mail: cqsmwx@cqu.edu.cn; Song, He; Yang, Qing

2015-12-15

Addition of nanoparticles of the ferromagnetic material Fe{sub 3}O{sub 4} can increase the positive impulse breakdown voltage of propylene carbonate by 11.65%. To further investigate the effect of ferromagnetic nanoparticles on the space charge distribution in the discharge process, the present work set up a Kerr electro-optic field mapping measurement system using an array photodetector to carry out time-continuous measurement of the electric field and space charge distribution in propylene carbonate before and after modification. Test results show that fast electrons can be captured by Fe{sub 3}O{sub 4} nanoparticles and converted into relatively slow, negatively charged particles, inhibiting the generationmore » and transportation of the space charge, especially the negative space charge.« less

Dynamics and Self-consistent Chaos in a Mean Field Hamiltonian Model

NASA Astrophysics Data System (ADS)

del-Castillo-Negrete, Diego

We study a mean field Hamiltonian model that describes the collective dynamics of marginally stable fluids and plasmas in the finite N and N-> infty kinetic limit (where N is the number of particles). The linear stability of equilibria in the kinetic model is studied as well as the initial value problem including Landau damping . Numerical simulations show the existence of coherent, rotating dipole states. We approximate the dipole as two macroparticles and show that the N=2 limit has a family of rotating integrable solutions that provide an accurate description of the dynamics. We discuss the role of self-consistent Hamiltonian chaos in the formation of coherent structures, and discuss a mechanism of "violent" mixing caused by a self-consistent elliptic-hyperbolic bifurcation in phase space.

The self-consistent calculation of pseudo-molecule energy levels, construction of energy level correlation diagrams and an automated computation system for SCF-X(Alpha)-SW calculations

NASA Technical Reports Server (NTRS)

Schlosser, H.

1981-01-01

The self consistent calculation of the electronic energy levels of noble gas pseudomolecules formed when a metal surface is bombarded by noble gas ions is discussed along with the construction of energy level correlation diagrams as a function of interatomic spacing. The self consistent field x alpha scattered wave (SCF-Xalpha-SW) method is utilized. Preliminary results on the Ne-Mg system are given. An interactive x alpha programming system, implemented on the LeRC IBM 370 computer, is described in detail. This automated system makes use of special PROCDEFS (procedure definitions) to minimize the data to be entered manually at a remote terminal. Listings of the special PROCDEFS and of typical input data are given.

Experimental evidence of space charge driven resonances in high intensity linear accelerators

DOE PAGES

Jeon, Dong -O

2016-01-12

In the construction of high intensity accelerators, it is the utmost goal to minimize the beam loss by avoiding or minimizing contributions of various halo formation mechanisms. As a halo formation mechanism, space charge driven resonances are well known for circular accelerators. However, the recent finding showed that even in linear accelerators the space charge potential can excite the 4σ = 360° fourth order resonance [D. Jeon et al., Phys. Rev. ST Accel. Beams 12, 054204 (2009)]. This study increased the interests in space charge driven resonances of linear accelerators. Experimental studies of the space charge driven resonances of highmore » intensity linear accelerators are rare as opposed to the multitude of simulation studies. This paper presents an experimental evidence of the space charge driven 4σ ¼ 360° resonance and the 2σ x(y) – 2σ z = 0 resonance of a high intensity linear accelerator through beam profile measurements from multiple wire-scanners. Moreover, measured beam profiles agree well with the characteristics of the space charge driven 4σ = 360° resonance and the 2σ x(y) – 2σ z = 0 resonance that are predicted by the simulation.« less

Longitudinal space charge compensation at PSR

NASA Astrophysics Data System (ADS)

Neri, Filippo

1998-11-01

The longitudinal space-charge force in neutron spallation source compressor ring or other high intensity proton storage rings can be compensated by introducing an insert in the ring. The effect of the inductor is to cancel all or part of the space charge potential, because it is capacitive. The Proton Storage Ring at Los Alamos National Laboratory is a compressor ring used to produce short pulses of spallation neutrons. Inductive inserts design for space charge compensation at the Los Alamos Proton Storage Ring is described.

Polarization effects on spectra of spherical core/shell nanostructures: Perturbation theory against finite difference approach

NASA Astrophysics Data System (ADS)

Ibral, Asmaa; Zouitine, Asmaa; Assaid, El Mahdi; El Achouby, Hicham; Feddi, El Mustapha; Dujardin, Francis

2015-02-01

Poisson equation is solved analytically in the case of a point charge placed anywhere in a spherical core/shell nanostructure, immersed in aqueous or organic solution or embedded in semiconducting or insulating matrix. Conduction and valence band-edge alignments between core and shell are described by finite height barriers. Influence of polarization charges induced at the surfaces where two adjacent materials meet is taken into account. Original expressions of electrostatic potential created everywhere in the space by a source point charge are derived. Expressions of self-polarization potential describing the interaction of a point charge with its own image-charge are deduced. Contributions of double dielectric constant mismatch to electron and hole ground state energies as well as nanostructure effective gap are calculated via first order perturbation theory and also by finite difference approach. Dependencies of electron, hole and gap energies against core to shell radii ratio are determined in the case of ZnS/CdSe core/shell nanostructure immersed in water or in toluene. It appears that finite difference approach is more efficient than first order perturbation method and that the effect of polarization charge may in no case be neglected as its contribution can reach a significant proportion of the value of nanostructure gap.

Host-Guest Chemistry in Integrated Porous Space Formed by Molecular Self-Assembly at Liquid-Solid Interfaces.

PubMed

Iritani, Kohei; Tahara, Kazukuni; De Feyter, Steven; Tobe, Yoshito

2017-05-16

Host-guest chemistry in two-dimensional (2D) space, that is, physisorbed monolayers of a single atom or a single molecular thickness on surfaces, has become a subject of intense current interest because of perspectives for various applications in molecular-scale electronics, selective sensors, and tailored catalysis. Scanning tunneling microscopy has been used as a powerful tool for the visualization of molecules in real space on a conducting substrate surface. For more than a decade, we have been investigating the self-assembly of a series of triangle-shaped phenylene-ethynylene macrocycles called dehydrobenzo[12]annulenes (DBAs). These molecules are substituted with six alkyl chains and are capable of forming hexagonal porous 2D molecular networks via van der Waals interactions between interdigitated alkyl chains at the interface of organic solvents and graphite. The dimension of the nanoporous space or nanowell formed by the self-assembly of DBAs can be controlled from 1.6 to 4.7 nm by simply changing the alkyl chain length from C 6 to C 20 . Single molecules as well as homoclusters and heteroclusters are capable of coadsorbing within the host matrix using shape- and size-complementarity principles. Moreover, on the basis of the versatility of the DBA molecules that allows chemical modification of the alkyl chain terminals, we were able to decorate the interior space of the nanoporous networks with functional groups such as azobenzenedicarboxylic acid for photoresponsive guest adsorption/desorption or fluoroalkanes and tetraethylene glycol groups for selective guest binding by electrostatic interactions and zinc-porphyrin units for complexation with a guest by charge-transfer interactions. In this Feature Article, we describe the general aspects of molecular self-assembly at liquid/solid interfaces, followed by the formation of programmed porous molecular networks using rationally designed molecular building blocks. We focus on our own work involving host-guest chemistry in integrated nanoporous space that is modified for specific purposes.

Comprehensive approach to intrinsic charge carrier mobility in conjugated organic molecules, macromolecules, and supramolecular architectures.

PubMed

Saeki, Akinori; Koizumi, Yoshiko; Aida, Takuzo; Seki, Shu

2012-08-21

Si-based inorganic electronics have long dominated the semiconductor industry. However, in recent years conjugated polymers have attracted increasing attention because such systems are flexible and offer the potential for low-cost, large-area production via roll-to-roll processing. The state-of-the-art organic conjugated molecular crystals can exhibit charge carrier mobilities (μ) that nearly match or even exceed that of amorphous silicon (1-10 cm(2) V(-1) s(-1)). The mean free path of the charge carriers estimated from these mobilities corresponds to the typical intersite (intermolecular) hopping distances in conjugated organic materials, which strongly suggests that the conduction model for the electronic band structure only applies to μ > 1 cm(2) V(-1) s(-1) for the translational motion of the charge carriers. However, to analyze the transport mechanism in organic electronics, researchers conventionally use a disorder formalism, where μ is usually less than 1 cm(2) V(-1) s(-1) and dominated by impurities, disorders, or defects that disturb the long-range translational motion. In this Account, we discuss the relationship between the alternating-current and direct-current mobilities of charge carriers, using time-resolved microwave conductivity (TRMC) and other techniques including field-effect transistor, time-of-flight, and space-charge limited current. TRMC measures the nanometer-scale mobility of charge carriers under an oscillating microwave electric field with no contact between the semiconductors and the metals. This separation allows us to evaluate the intrinsic charge carrier mobility with minimal trapping effects. We review a wide variety of organic electronics in terms of their charge carrier mobilities, and we describe recent studies of macromolecules, molecular crystals, and supramolecular architecture. For example, a rigid poly(phenylene-co-ethynylene) included in permethylated cyclodextrin shows a high intramolecular hole mobility of 0.5 cm(2) V(-1) s(-1), based on a combination of flash-photolysis TRMC and transient absorption spectroscopy (TAS) measurements. Single-crystal rubrene showed an ambipolarity with anisotropic charge carrier transport along each crystal axis on the nanometer scale. Finally, we describe the charge carrier mobility of a self-assembled nanotube consisting of a large π-plane of hexabenzocoronene (HBC) partially appended with an electron acceptor. The local (intratubular) charge carrier mobility reached 3 cm(2) V(-1) s(-1) for the nanotubes that possessed well-ordered π-stacking, but it dropped to 0.7 cm(2) V(-1) s(-1) in regions that contained greater amounts of the electron acceptor because those molecules reduced the structural integrity of π-stacked HBC arrays. Interestingly, the long-range (intertubular) charge carrier mobility was on the order of 10(-4) cm(2) V(-1) s(-1) and monotonically decreased when the acceptor content was increased. These results suggest the importance of investigating charge carrier mobilities by frequency-dependent charge carrier motion for the development of more efficient organic electronic devices.

pH-dependent surface charging and points of zero charge. IV. Update and new approach.

PubMed

Kosmulski, Marek

2009-09-15

The recently published points of zero charge (PZC) and isoelectric points (IEPs) of various materials are compiled to update the previous compilation [M. Kosmulski, Surface Charging and Points of Zero Charge, CRC Press, Boca Raton, FL, 2009]. Unlike in previous compilations by the same author [Chemical Properties of Material Surfaces, Dekker, New York, 2001; J. Colloid Interface Sci. 253 (2002) 77; J. Colloid Interface Sci. 275 (2004) 214; J. Colloid Interface Sci. 298 (2006) 730], the materials are sorted not only by the chemical formula, but also by specific product, that is, by brand name (commercially available materials), and by recipe (home-synthesized materials). This new approach indicated that the relatively consistent PZC/IEP reported in the literature for materials having the same chemical formula are due to biased choice of specimens to be studied. Specimens which have PZC/IEP close to the "recommended" value are selected more often than other specimens (PZC/IEP not reported before or PZC/IEP reported, but different from the "recommended" value). Thus, the previously published PZC/IEP act as a self-fulfilling prophecy.

Simulating Electrophoresis with Discrete Charge and Drag

NASA Astrophysics Data System (ADS)

Mowitz, Aaron J.; Witten, Thomas A.

A charged asymmetric rigid cluster of colloidal particles in saline solution can respond in exotic ways to an electric field: it may spin or move transversely. These distinctive motions arise from the drag force of the neutralizing countercharge surrounding the cluster. Because of this drag, calculating the motion of arbitrary asymmetric objects with nonuniform charge is impractical by conventional methods. Here we present a new method of simulating electrophoresis, in which we replace the continuous object and the surrounding countercharge with discrete point-draggers, called Stokeslets. The balance of forces imposes a linear, self-consistent relation among the drag and Coulomb forces on the Stokeslets, which allows us to easily determine the object's motion via matrix inversion. By explicitly enforcing charge+countercharge neutrality, the simulation recovers the distinctive features of electrophoretic motion to few-percent accuracy using as few as 1000 Stokeslets. In particular, for uniformly charged objects, we observe the characteristic Smoluchowski independence of mobility on object size and shape. We then discuss electrophoretic motion of asymmetric objects, where our simulation method is particularly advantageous. This work is supported by a Grant from the US-Israel Binational Science Foundation.

The differential algebra based multiple level fast multipole algorithm for 3D space charge field calculation and photoemission simulation

DOE PAGES

None, None

2015-09-28

Coulomb interaction between charged particles inside a bunch is one of the most importance collective effects in beam dynamics, becoming even more significant as the energy of the particle beam is lowered to accommodate analytical and low-Z material imaging purposes such as in the time resolved Ultrafast Electron Microscope (UEM) development currently underway at Michigan State University. In addition, space charge effects are the key limiting factor in the development of ultrafast atomic resolution electron imaging and diffraction technologies and are also correlated with an irreversible growth in rms beam emittance due to fluctuating components of the nonlinear electron dynamics.more » In the short pulse regime used in the UEM, space charge effects also lead to virtual cathode formation in which the negative charge of the electrons emitted at earlier times, combined with the attractive surface field, hinders further emission of particles and causes a degradation of the pulse properties. Space charge and virtual cathode effects and their remediation are core issues for the development of the next generation of high-brightness UEMs. Since the analytical models are only applicable for special cases, numerical simulations, in addition to experiments, are usually necessary to accurately understand the space charge effect. In this paper we will introduce a grid-free differential algebra based multiple level fast multipole algorithm, which calculates the 3D space charge field for n charged particles in arbitrary distribution with an efficiency of O(n), and the implementation of the algorithm to a simulation code for space charge dominated photoemission processes.« less

Relationship of self-management to personality types and indices.

PubMed

Williams, R L; Verble, J S; Price, D E; Layne, B H

1995-06-01

This study addressed the relationship between self-management (as measured by the Lifestyle Approaches Inventory, Williams, Moore, Pettibone, & Thomas, 1992) and personality types and indexes (as measured by the Myers-Briggs Type Indicator, Myers & McCaulley, 1985) in a sample of 347 university students. Correlational analyses indicated that the self-management factor most consistently linked to the Myers-Briggs indices was Organization of Physical Space. The Myers-Briggs index most consistently correlated with the self-management factors was Judgment-Perception. Overall, male and female subjects showed similar patterns of relationships between the self-management and personality indices. When the self-management scores were compared for the various Myers-Briggs types, the analysis indicated that types having a J (planful and organized) or S (precise and practical) in the typology tended to score higher than those having a P (spontaneous and flexible) or N (imaginative and insightful).

Modeling of Two-Wheeled Self-Balancing Robot Driven by DC Gearmotors

NASA Astrophysics Data System (ADS)

Frankovský, P.; Dominik, L.; Gmiterko, A.; Virgala, I.; Kurylo, P.; Perminova, O.

2017-08-01

This paper is aimed at modelling a two-wheeled self-balancing robot driven by the geared DC motors. A mathematical model consists of two main parts, the model of robot's mechanical structure and the model of the actuator. Linearized equations of motion are derived and the overall model of the two-wheeled self-balancing robot is represented in state-space realization for the purpose of state feedback controller design.

Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: Application to solvatochromic shift calculations

NASA Astrophysics Data System (ADS)

Minezawa, Noriyuki; Kato, Shigeki

2007-02-01

The authors present an implementation of the three-dimensional reference interaction site model self-consistent-field (3D-RISM-SCF) method. First, they introduce a robust and efficient algorithm for solving the 3D-RISM equation. The algorithm is a hybrid of the Newton-Raphson and Picard methods. The Jacobian matrix is analytically expressed in a computationally useful form. Second, they discuss the solute-solvent electrostatic interaction. For the solute to solvent route, the electrostatic potential (ESP) map on a 3D grid is constructed directly from the electron density. The charge fitting procedure is not required to determine the ESP. For the solvent to solute route, the ESP acting on the solute molecule is derived from the solvent charge distribution obtained by solving the 3D-RISM equation. Matrix elements of the solute-solvent interaction are evaluated by the direct numerical integration. A remarkable reduction in the computational time is observed in both routes. Finally, the authors implement the first derivatives of the free energy with respect to the solute nuclear coordinates. They apply the present method to "solute" water and formaldehyde in aqueous solvent using the simple point charge model, and the results are compared with those from other methods: the six-dimensional molecular Ornstein-Zernike SCF, the one-dimensional site-site RISM-SCF, and the polarizable continuum model. The authors also calculate the solvatochromic shifts of acetone, benzonitrile, and nitrobenzene using the present method and compare them with the experimental and other theoretical results.

Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: application to solvatochromic shift calculations.

PubMed

Minezawa, Noriyuki; Kato, Shigeki

2007-02-07

The authors present an implementation of the three-dimensional reference interaction site model self-consistent-field (3D-RISM-SCF) method. First, they introduce a robust and efficient algorithm for solving the 3D-RISM equation. The algorithm is a hybrid of the Newton-Raphson and Picard methods. The Jacobian matrix is analytically expressed in a computationally useful form. Second, they discuss the solute-solvent electrostatic interaction. For the solute to solvent route, the electrostatic potential (ESP) map on a 3D grid is constructed directly from the electron density. The charge fitting procedure is not required to determine the ESP. For the solvent to solute route, the ESP acting on the solute molecule is derived from the solvent charge distribution obtained by solving the 3D-RISM equation. Matrix elements of the solute-solvent interaction are evaluated by the direct numerical integration. A remarkable reduction in the computational time is observed in both routes. Finally, the authors implement the first derivatives of the free energy with respect to the solute nuclear coordinates. They apply the present method to "solute" water and formaldehyde in aqueous solvent using the simple point charge model, and the results are compared with those from other methods: the six-dimensional molecular Ornstein-Zernike SCF, the one-dimensional site-site RISM-SCF, and the polarizable continuum model. The authors also calculate the solvatochromic shifts of acetone, benzonitrile, and nitrobenzene using the present method and compare them with the experimental and other theoretical results.

Abnormal Multiple Charge Memory States in Exfoliated Few-Layer WSe2 Transistors.

PubMed

Chen, Mikai; Wang, Yifan; Shepherd, Nathan; Huard, Chad; Zhou, Jiantao; Guo, L J; Lu, Wei; Liang, Xiaogan

2017-01-24

To construct reliable nanoelectronic devices based on emerging 2D layered semiconductors, we need to understand the charge-trapping processes in such devices. Additionally, the identified charge-trapping schemes in such layered materials could be further exploited to make multibit (or highly desirable analog-tunable) memory devices. Here, we present a study on the abnormal charge-trapping or memory characteristics of few-layer WSe 2 transistors. This work shows that multiple charge-trapping states with large extrema spacing, long retention time, and analog tunability can be excited in the transistors made from mechanically exfoliated few-layer WSe 2 flakes, whereas they cannot be generated in widely studied few-layer MoS 2 transistors. Such charge-trapping characteristics of WSe 2 transistors are attributed to the exfoliation-induced interlayer deformation on the cleaved surfaces of few-layer WSe 2 flakes, which can spontaneously form ambipolar charge-trapping sites. Our additional results from surface characterization, charge-retention characterization at different temperatures, and density functional theory computation strongly support this explanation. Furthermore, our research also demonstrates that the charge-trapping states excited in multiple transistors can be calibrated into consistent multibit data storage levels. This work advances the understanding of the charge memory mechanisms in layered semiconductors, and the observed charge-trapping states could be further studied for enabling ultralow-cost multibit analog memory devices.

Analysis of space charge fields using the Lienard-Wiechert potential and the method of images during the photoemission of the electron beam from the cathode

NASA Astrophysics Data System (ADS)

Salah, Wa'el

2017-01-01

We present a numerical analysis of the space charge effect and the effect of image charge force on the cathode surface for a laser-driven RF-photocathode gun. In this numerical analysis, in the vicinity of the cathode surface, we used an analytical method based on Lienard-Weichert retarded potentials. The analytical method allows us to calculate longitudinal and radial electric fields, and the azimuth magnetic field due to both space charge effect and the effect of the image charge force. We calculate the electro-magnetic fields in the following two conditions for the "ELSA" photoinjector. The first condition is in the progress of photoemission, which corresponds to the inside of the emitted beam, and the second condition is at the end of the photoemission. The electromagnetic fields due to the space charge effect and the effect of the image charge force, and the sum of them, which corresponds to the global electro-magnetic fields, are shown. Based on these numerical results, we discussed the effects of the space charge and the image charge in the immediate vicinity of the cathode.

Experimental Evidence for Space-Charge Effects between Ions of the Same Mass-to-Charge in Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry

PubMed Central

Wong, Richard L.; Amster, I. Jonathan

2009-01-01

It is often stated that ions of the same mass-to-charge do not induce space-charge frequency shifts among themselves in an ion cyclotron resonance mass spectrometry measurement. Here, we demonstrate space-charge induced frequency shifts for ions of a single mass-to-charge. The monoisotopic atomic ion, Cs+, was used for this study. The measured frequency is observed to decrease linearly with an increase in the number of ions, as has been reported previously for space-charge effects between ions of different mass-to-charge. The frequency shift between ions of the same m/z value are compared to that induced between ions of different m/z value, and is found to be 7.5 times smaller. Control experiments were performed to ensure that the observed space-charge effects are not artifacts of the measurement or of experimental design. The results can be rationalized by recognizing that the electric forces between ions in a magnetic field conform to the weak form of the Newton's third law, where the action and reaction forces do not cancel exactly. PMID:19562102

Self Assembly and Many-Body Effects at Surfaces of Biomedical Relevance

NASA Astrophysics Data System (ADS)

Beckerman, Bernard M.

I present research in systems of biomedical relevance consisting of agents near or comprising surfaces using computational approaches. The research topics include formation of bacterial biofilms, behavior of charged species near stacked, like-charged lamellae, and the conformational behavior of lamellae with strong self-attraction. In chapter 2, I present agent-based simulations and experimental analysis of bacterial surface colonization behavior. Results show that the bacterial population exhibits polyphenic motility despite being genetically homogeneous, and that the deposition of a polysaccharide causes the emergence of distinct bacterial subpopulations that specialize separately in microcolony nucleation and surface exploration. Chapter 3 considers aggregation behavior on a much smaller length scale, wherein an attraction between like-charged cellular lamellae is mediated by the antiviral molecule squalamine. Free-energy calculations along with structural analysis of the resulting compounds reveals that the squalamine molecules form bridging configurations that are highly effective at condensing membranes, and that the strength of this condensation is sufficient to eject the viral protein Rac1 from the lamellae. In chapter 4, I explore the ability of such condensed, charged lamellae to selectively exclude ions as a means to control ionic current. Simulations and theory of ion-selective graphene-oxide paper in series with a bulk salt solution under an applied field show how this exclusion leads to a nonlinear current-voltage relationship. Additionally, geometrical asymmetries are introduced into the system to achieve ionic current rectification. Chapter 5 studies the behavior of dilute graphene oxide sheets in poor solvent. In such a case, the conformations taken by the sheet are determined by a competition between its intrinsic bending rigidity and effective self-attraction. I show how self-attraction of a finite range and sufficient strength can overcome bending energy barriers of 100kBT to allow sheets to spontaneously condense in solution.

Lattice dynamics of solid N2 with an ab initio intermolecular potential

NASA Astrophysics Data System (ADS)

Luty, T.; van der Avoird, A.; Berns, R. M.

1980-11-01

We have performed harmonic and self-consistent phonon lattice dynamics calculations for α and γ N2 crystals using an intermolecular potential from ab initio calculations. This potential contains electrostatic (multipole) interactions, up to all R-9 terms inclusive, anisotropic dispersion interactions up to all R-10 terms inclusive, and anisotropic overlap interactions caused by charge penetration and exchange between the molecules. The lattice constants, cohesion energy, the frequencies of the translational phonon modes and the Grüneisen parameters for the librational modes are in good agreement with experimental values, confirming the quality of the potential. The frequencies of the librational modes and those of the mixed modes are less well reproduced, especially at temperatures near the α-β phase transition. Probably, the self-consistent phonon method used does not fully account for the anharmonicity in the librations.

Intersubband Transitions in InAs/AlSb Quantum Wells

NASA Technical Reports Server (NTRS)

Li, J.; Koloklov, K.; Ning, C. Z.; Larraber, D. C.; Khodaparast, G. A.; Kono, J.; Ueda, K.; Nakajima, Y.; Sasa, S.; Inoue, M.

2003-01-01

We have studied intersubband transitions in InAs/AlSb quantum wells experimentally and theoretically. Experimentally, we performed polarization-resolved infrared absorption spectroscopy to measure intersubband absorption peak frequencies and linewidths as functions of temperature (from 4 K to room temperature) and quantum well width (from a few nm to 10 nm). To understand experimental results, we performed a self-consistent 8-band k-p band-structure calculation including spatial charge separation. Based on the calculated band structure, we developed a set of density matrix equations to compute TE and TM optical transitions self-consistently, including both interband and intersubband channels. This density matrix formalism is also ideal for the inclusion of various many-body effects, which are known to be important for intersubband transitions. Detailed comparison between experimental data and theoretical simulations is presented.

Review of a solution-processed vertical organic transistor as a solid-state vacuum tube

NASA Astrophysics Data System (ADS)

Lin, Hung-Cheng; Zan, Hsiao-Wen; Chao, Yu-Chiang; Chang, Ming-Yu; Meng, Hsin-Fei

2015-05-01

In this paper, we investigate the key issues in raising the on/off current ratio and increasing the output current. A 1 V operated inverter composed of an enhancement-mode space-charge-limited transistor (SCLT) and a depletion-mode SCLT is demonstrated using the self-assembled monolayer modulation process. With a bulk-conduction mechanism, good bias-stress reliability, and good bending durability are obtained. Finally, key scaling-up processes, including nanoimprinting and blade-coated nanospheres, are demonstrated.

A novel interface circuit for triboelectric nanogenerator

NASA Astrophysics Data System (ADS)

Yu, Wuqi; Ma, Jiahao; Zhang, Zhaohua; Ren, Tianling

2017-10-01

For most triboelectric nanogenerators (TENGs), the electric output should be a short AC pulse, which has the common characteristic of high voltage but low current. Thus it is necessary to convert the AC to DC and store the electric energy before driving conventional electronics. The traditional AC voltage regulator circuit which commonly consists of transformer, rectifier bridge, filter capacitor, and voltage regulator diode is not suitable for the TENG because the transformer’s consumption of power is appreciable if the TENG output is small. This article describes an innovative design of an interface circuit for a triboelectric nanogenerator that is transformerless and easily integrated. The circuit consists of large-capacity electrolytic capacitors that can realize to intermittently charge lithium-ion batteries and the control section contains the charging chip, the rectifying circuit, a comparator chip and switch chip. More important, the whole interface circuit is completely self-powered and self-controlled. Meanwhile, the chip is widely used in the circuit, so it is convenient to integrate into PCB. In short, this work presents a novel interface circuit for TENGs and makes progress to the practical application and industrialization of nanogenerators. Project supported by the National Natural Science Foundation of China (No. 61434001) and the ‘Thousands Talents’ Program for Pioneer Researchers and Its Innovation Team, China.

Island of stability for consistent deformations of Einstein's gravity.

PubMed

Berkhahn, Felix; Dietrich, Dennis D; Hofmann, Stefan; Kühnel, Florian; Moyassari, Parvin

2012-03-30

We construct deformations of general relativity that are consistent and phenomenologically viable, since they respect, in particular, cosmological backgrounds. These deformations have unique symmetries in accordance with their Minkowski cousins (Fierz-Pauli theory for massive gravitons) and incorporate a background curvature induced self-stabilizing mechanism. Self-stabilization is essential in order to guarantee hyperbolic evolution in and unitarity of the covariantized theory, as well as the deformation's uniqueness. We show that the deformation's parameter space contains islands of absolute stability that are persistent through the entire cosmic evolution.

Wear-resistant ball bearings for space applications. [coated with titanium carbide

NASA Technical Reports Server (NTRS)

Boving, H.; Hintermann, H. E.; Haenni, W.; Bondivenne, E.; Boeto, M.; Conde, M.

1977-01-01

Ball bearings for hostile environments were developed. They consist of normal ball bearing steel parts of which the rings are coated with hard, wear-resistant, chemical vapor deposited (C.V.D) TiC. Experiments in ultrahigh vacuum, using cages of various materials with self-lubricating properties, have shown that such bearings are suitable for space applications.

Reaction of Titanium and Zirconium Particles in Cylindrical Explosive Charges

NASA Astrophysics Data System (ADS)

Frost, David L.; Cairns, Malcolm; Goroshin, Samuel; Zhang, Fan

2007-12-01

The critical conditions for the reaction of particles of the transition metals titanium (Ti) and zirconium (Zr) dispersed during the detonation of long cylindrical explosive charges have been investigated experimentally. The charges consisted of packed beds of either spherical Ti particles or irregularly shaped Zr particles saturated with sensitized liquid nitromethane. For the Ti particles, a threshold particle diameter exists of 65±25 μm, above which self-sustained particle reaction is not observed for charge diameters up to 49 mm, although some particle reaction occurs immediately behind the detonation front then rapidly quenches. For the smallest particles (40 μm), the proportion of the conical particle cloud that reacts increases with charge diameter, suggesting that the reaction is a competition between particle heating and expansion cooling of the products. For 375 and 550 μm Zr particles, particle ignition was observed for 19 and 41 mm dia charges. In this case, interaction of the detonation wave with the particles is sufficient to initiate reaction at the particle surface after a delay time (˜5 μs), which is much less than the time required for thermal equilibration of the particles.

Effect of mobile ions on the electric field needed to orient charged diblock copolymer thin films

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

Dehghan, Ashkan; Shi, An-Chang; Schick, M.

We examine the behavior of lamellar phases of charged/neutral diblock copolymer thin films containing mobile ions in the presence of an external electric field. We employ self-consistent field theory and focus on the aligning effect of the electric field on the lamellae. Of particular interest are the effects of the mobile ions on the critical field, the value required to reorient the lamellae from the parallel configuration favored by the surface interaction to the perpendicular orientation favored by the field. We find that the critical field depends strongly on whether the neutral or charged species is favored by the substrates.more » In the case in which the neutral species is favored, the addition of charges decreases the critical electric field significantly. The effect is greater when the mobile ions are confined to the charged lamellae. In contrast, when the charged species is favored by the substrate, the addition of mobile ions stabilizes the parallel configuration and thus results in an increase in the critical electric field. The presence of ions in the system introduces a new mixed phase in addition to those reported previously.« less

Nanotribological Properties of Positively and Negatively charged nanodiamonds as additives to solutions

NASA Astrophysics Data System (ADS)

Liu, Zijian; Corley, Steven; Shenderova, Olga; Brenner, Donald; Krim, Jacqueline

2013-03-01

Nano-diamond (ND) particles are known to be beneficial for wear and friction reduction when used as additives in liquids, but the fundamental origins of the improvement in tribological properties has not been established. In order to explore this issue, we have investigated the nanotribological properties of ND coated with self-assembled monolayers (SAM) as additives to solutions, employing gold/chrome coated quartz crystal microbalances (QCM). Measurements were performed with the QCM initially immersed in deionized water. ND particles with positively and negatively charged SAM end groups were then added to the water, while the frequency and amplitude of the QCM were monitored. Negative shifts in both the QCM frequency and amplitude were observed when ND with positively charged SAM end groups were added, while positive shifts in both the QCM frequency and amplitude were observed when ND with negatively charged ND end groups were added. The results are consistent with a lubricating effect for the negatively charged ND, but were only observed for sufficiently small negative ND particle size. Experiments on QCM surfaces with differing textures and roughness are in progress, to determine the separate contributing effects of surface roughness charge-water interactions. Funding provided by NSF DMR.

Configurable impedance matching to maximise power extraction for enabling self-powered system based-on photovoltaic cells

NASA Astrophysics Data System (ADS)

Rahman, Airul Azha Abd; Jamil, Wan Adil Wan; Umar, Akrajas Ali

2016-07-01

Multivariate energy harvesting system, solar and thermal energies, with configurable impedance matching features is presented. The system consists of a tuneable mechanism for peak performance tracking. The inputs are voltages ranging from 20 mV to 3.1 V. The matching load is individually tuned for photovoltaic and thermoelectric power efficiency not less than 80% and 50% of the open circuit voltage respectively. Of experimentation and analysis has been done, the time it takes to fully charge up to 3.4 V is 23 minutes with the rate of charging is 1.8 mV/sec. Empirical data is presented. [Figure not available: see fulltext.

On the possibility of collective attraction in complex plasmas

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

Chaudhuri, M.; Morfill, G. E.; Kompaneets, R.

2010-06-15

An investigation on the possible collective electric attraction between like-charged dust particles has been performed in an isotropic homogeneous complex (dusty) plasma in which a balance between plasma creation due to ionization and plasma loss due to the absorption on dust particles has been reached. The analysis is made on the basis of a self-consistent fluid model, which includes plasma ionization, plasma loss on dust particles, dust charge variations, and ion-neutral friction. It is shown that the interaction potential can have an attractive part in the stability regime of the ionization-absorption balance with respect to ion perturbations only under verymore » limited circumstances.« less

Self-consistent simulation of an electron beam for a new autoresonant x-ray generator based on TE 102 rectangular mode

NASA Astrophysics Data System (ADS)

Dugar-Zhabon, V. D.; Orozco, E. A.; Herrera, A. M.

2016-02-01

The space cyclotron autoresonance interaction of an electron beam with microwaves of TE 102 rectangular mode is simulated. It is shown that in these conditions the beam electrons can achieve energies which are sufficient to generate hard x-rays. The physical model consists of a rectangular cavity fed by a magnetron oscillator through a waveguide with a ferrite isolator, an iris window and a system of dc current coils which generates an axially symmetric magnetic field. The 3D magnetic field profile is that which maintains the electron beam in the space autoresonance regime. To simulate the beam dynamics, a full self-consistent electromagnetic particle-in-cell code is developed. It is shown that the injected 12keV electron beam of 0.5A current is accelerated to energy of 225keV at a distance of an order of 17cm by 2.45GHz standing microwave field with amplitude of 14kV/cm.

PASOTRON high-energy microwave source

NASA Astrophysics Data System (ADS)

Goebel, Dan M.; Schumacher, Robert W.; Butler, Jennifer M.; Hyman, Jay, Jr.; Santoru, Joseph; Watkins, Ron M.; Harvey, Robin J.; Dolezal, Franklin A.; Eisenhart, Robert L.; Schneider, Authur J.

1992-04-01

A unique, high-energy microwave source, called PASOTRON (Plasma-Assisted Slow-wave Oscillator), has been developed. The PASOTRON utilizes a long-pulse E-gun and plasma- filled slow-wave structure (SWS) to produce high-energy pulses from a simple, lightweight device that utilizes no externally produced magnetic fields. Long pulses are obtained from a novel E-gun that employs a low-pressure glow discharge to provide a stable, high current- density electron source. The electron accelerator consists of a high-perveance, multi-aperture array. The E-beam is operated in the ion-focused regime where the plasma filling the SWS space-charge neutralizes the beam, and the self-pinch force compresses the beamlets and increases the beam current density. A scale-model PASOTRON, operating as a backward- wave oscillator in C-band with a 100-kV E-beam, has produced output powers in the 3 to 5 MW range and pulse lengths of over 100 microsecond(s) ec, corresponding to an integrated energy per pulse of up to 500 J. The E-beam to microwave-radiation power conversion efficiency is about 20%.

Quasistationary magnetic field generation with a laser-driven capacitor-coil assembly.

PubMed

Tikhonchuk, V T; Bailly-Grandvaux, M; Santos, J J; Poyé, A

2017-08-01

Recent experiments are showing possibilities to generate strong magnetic fields on the excess of 500 T with high-energy nanosecond laser pulses in a compact setup of a capacitor connected to a single turn coil. Hot electrons ejected from the capacitor plate (cathode) are collected at the other plate (anode), thus providing the source of a current in the coil. However, the physical processes leading to generation of currents exceeding hundreds of kiloamperes in such a laser-driven diode are not sufficiently understood. Here we present a critical analysis of previous results and propose a self-consistent model for the high current generation in a laser-driven capacitor-coil assembly. It accounts for three major effects controlling the diode current: the space charge neutralization, the plasma magnetization between the capacitor plates, and the Ohmic heating of the external circuit-the coil-shaped connecting wire. The model provides the conditions necessary for transporting strongly super-Alfvenic currents through the diode on the time scale of a few nanoseconds. The model validity is confirmed by a comparison with the available experimental data.

Self-assembly of Janus particles into helices with tunable pitch

NASA Astrophysics Data System (ADS)

Fernández, M. Sobrino; Misko, V. R.; Peeters, F. M.

2015-10-01

Janus particles present an important class of building blocks for directional assembly. These are compartmentalized colloids with two different hemispheres. In this work we consider a three-dimensional model of Janus spheres that contain one hydrophobic and one charged hemisphere. Using molecular dynamics simulations, we study the morphology of these particles when confined in a channel-like environment. The interplay between the attractive and repulsive forces on each particle gives rise to a rich phase space where the relative orientation of each particle plays a dominant role in the formation of large-scale clusters. The interest in this system is primarily due to the fact that it could give a better understanding of the mechanisms of the formation of polar membranes. A variety of ordered membranelike morphologies is found consisting of single and multiple connected chain configurations. The helicity of these chains can be chosen by simply changing the salt concentration of the solution. Special attention is given to the formation of Bernal spirals. These helices are composed of regular tetrahedra and are known to exhibit nontrivial translational and rotational symmetry.

Self-consistent description of the SHFB equations for 112Sn

NASA Astrophysics Data System (ADS)

Ghafouri, M.; Sadeghi, H.; Torkiha, M.

2018-03-01

The Hartree-Fock (HF) method is an excellent approximation of the closed shell magic nuclei. Pair correlation is essential for the description of open shell nuclei and has been derived for even-even, odd-odd and even-odd nuclei. These effects are reported by Hartree-Fock with BCS (HFBCS) or Hartree-Fock-Bogolyubov (HFB). These issues have been investigated, especially in the nuclear charts, and such studies have been compared with the observed information. We compute observations such as total binding energy, charge radius, densities, separation energies, pairing gaps and potential energy surfaces for neutrons and protons, and compare them with experimental data and the result of the spherical codes. In spherical even-even neutron-rich nuclei are considered in the Skyrme-Hartree-Fock-Bogolyubov (SHFB) method with density-dependent pairing interaction. Zero-range density-dependent interactions is used in the pairing channel. We solve SHF or SHFB equations in the spatial coordinates with spherical symmetry for tin isotopes such as 112Sn. The numerical accuracy of solving equations in the coordinate space is much greater than the fundamental extensions, which yields almost precise results.

Influence of chain rigidity on the conformation of model lipid membranes in the presence of cylindrical nanoparticle inclusions

NASA Astrophysics Data System (ADS)

Diloreto, Chris; Wickham, Robert

2012-02-01

We employ real-space self-consistent field theory to study the conformation of model lipid membranes in the presence of solvent and cylindrical nanoparticle inclusions (''peptides''). Whereas it is common to employ a polymeric Gaussian chain model for the lipids, here we model the lipids as persistent, worm-like chains. Our motivation is to develop a more realistic field theory to describe the action of pore-forming anti-microbial peptides that disrupt the bacterial cell membrane. We employ operator-splitting and a pseudo-spectral algorithm, using SpharmonicKit for the chain tangent degrees of freedom, to solve for the worm-like chain propagator. The peptides, modelled using a mask function, have a surface patterned with hydrophobic and hydrophillic patches, but no charge. We examine the role chain rigidity plays in the hydrophobic mismatch, the membrane-mediated interaction between two peptides, the size and structure of pores formed by peptide aggregates, and the free-energy barrier for peptide insertion into the membrane. Our results suggest that chain rigidity influences both the pore structure and the mechanism of pore formation.

Understanding the Origins of Dipolar Couplings and Correlated Motion in the Vibrational Spectrum of Water.

PubMed

Heyden, Matthias; Sun, Jian; Forbert, Harald; Mathias, Gerald; Havenith, Martina; Marx, Dominik

2012-08-16

The combination of vibrational spectroscopy and molecular dynamics simulations provides a powerful tool to obtain insights into the molecular details of water structure and dynamics in the bulk and in aqueous solutions. Applying newly developed approaches to analyze correlations of charge currents, molecular dipole fluctuations, and vibrational motion in real and k-space, we compare results from nonpolarizable water models, widely used in biomolecular modeling, to ab initio molecular dynamics. For the first time, we unfold the infrared response of bulk water into contributions from correlated fluctuations in the three-dimensional, anisotropic environment of an average water molecule, from the OH-stretching region down to the THz regime. Our findings show that the absence of electronic polarizability in the force field model not only results in differences in dipolar couplings and infrared absorption but also induces artifacts into the correlated vibrational motion between hydrogen-bonded water molecules, specifically at the intramolecular bending frequency. Consequently, vibrational motion is partially ill-described with implications for the accuracy of non-self-consistent, a posteriori methods to add polarizability.

Electronic and magnetic properties of Zn1-xFexSe alloys

NASA Astrophysics Data System (ADS)

Khatta, Swati; Tripathi, S. K.; Prakash, Satya

2017-12-01

The spin polarized density functional theory along with self consistent plane wave pseudopotential method is used to investigate electronic and magnetic properties of ternary Zn1-xFexSe alloys with x = 0.125, 0.25, 0.5 and 0.75. The exchange-correlation potential treated within generalized gradient approximation is used. The calculated spin-polarized band structures, partial and total density of states reveal that Zn0.875Fe0.125Se and Zn0.75Fe0.25Se exhibit half metallic ferromagnetic characteristics and Zn0.50Fe0.50Se is nearly half metallic in nature. The half metallic band gaps for x = 0.125 and 0.25 are 0.69 and 0.39 eV respectively, while the corresponding band gaps are 0.86 and 0.81 eV. The p-d hybridization reduces the magnetic moment of Fe atoms from its free space charge value of 4 μB and induces the small magnetic moments on Zn and Se sites. The results are compared with available experimental data.

Magnetic and dielectric properties of Fe3BO6 nanoplates prepared through self-combustion method

NASA Astrophysics Data System (ADS)

Kumari, Kalpana

In the present investigation, a facile synthesis method is explored involving a self-combustion of a solid precursor mixture of iron oxide Fe2O3 and boric acid (H3BO3) using camphor (C10H16O) as fuel in ambient air in order to form a single phase Fe3BO6 crystallites. X-ray diffraction (XRD), Field emission electron microscopy (FESEM), magnetic, and dielectric properties of as prepared sample are studied. From XRD pattern, a single phase compound is observed with an orthorhombic crystal structure (Pnma space group), with average crystallite size of 42nm. A reasonably uniform size distribution of the plates and self-assemblies is retained in the sample. A magnetic transition is observed in dielectric permittivity (at ˜445K) and power loss (at ˜435K) when plotted against temperature. A weak peak occurs near 330K due to the charge reordering in the sample. For temperatures above the transition temperature, a sharp increase of the dielectric loss is observed which occurs due to the presence of thermally activated charge carriers. A canted antiferromagnetic Fe3+ ordering in a Fe3BO6 lattice with a localized charge surface layer is an apparent source of exhibiting a ferroelectric feature in this unique example of a centrosymmetric compound. An induced spin current over the Fe sites thus could give rise to a polarization hysteresis loop. Due to the presence of both ferromagnetic as well as polarization ordering, Fe3BO6 behaves like a single phase multiferroic ceramics.

Stability of Internal Space in Kaluza-Klein Theory

NASA Astrophysics Data System (ADS)

Maeda, K.; Soda, J.

1998-12-01

We extend a model studied by Li and Gott III to investigate a stability of internal space in Kaluza-Klein theory. Our model is a four-dimensional de-Sitter space plus a n-dimensional compactified internal space. We introduce a solution of the semi-classical Einstein equation which shows us the fact that a n-dimensional compactified internal space can be stable by the Casimir effect. The self-consistency of this solution is checked. One may apply this solution to study the issue of the Black Hole singularity.

Extreme Spacecraft Charging in Polar Low Earth Orbit

NASA Technical Reports Server (NTRS)

Colson, Andrew D.; Minow, Joseph I.; Parker, L. Neergaard

2012-01-01

Spacecraft in low altitude, high inclination (including sun -synchronous) orbits are widely used for remote sensing of the Earth fs land surface and oceans, monitoring weather and climate, communications, scientific studies of the upper atmosphere and ionosphere, and a variety of other scientific, commercial, and military applications. These systems episodically charge to frame potentials in the kilovolt range when exposed to space weather environments characterized by a high flux of energetic (approx.10 fs kilovolt) electrons in regions of low background plasma density. Auroral charging conditions are similar in some ways to the space weather conditions in geostationary orbit responsible for spacecraft charging to kilovolt levels. We first review the physics of space environment interactions with spacecraft materials that control auroral charging rates and the anticipated maximum potentials that should be observed on spacecraft surfaces during disturbed space weather conditions. We then describe how the theoretical values compare to the observational history of extreme charging in auroral environments. Finally, a set of extreme DMSP charging events are described varying in maximum negative frame potential from approx.0.6 kV to approx.2 kV, focusing on the characteristics of the charging events that are of importance both to the space system designer and to spacecraft operators. The goal of the presentation is to bridge the gap between scientific studies of auroral charging and the need for engineering teams to understand how space weather impacts both spacecraft design and operations for vehicles on orbital trajectories that traverse auroral charging environments.

The role of emotion expectancies in adolescents' moral decision making.

PubMed

Krettenauer, Tobias; Jia, Fanli; Mosleh, Maureen

2011-02-01

This study investigated the impact of emotion expectancies on adolescents' moral decision making in hypothetical situations. The sample consisted of 160 participants from three different grade levels (mean age=15.79 years, SD=2.96). Participants were confronted with a set of scenarios that described various emotional outcomes of (im)moral actions and needed to decide what they would do if they were in the protagonist's shoes. Findings demonstrate that emotion expectancies differentially influenced adolescents' hypothetical decision making in antisocial versus prosocial behavioral contexts. Whereas negatively charged self-evaluative emotions over failing to act morally (e.g., guilt) were the strongest predictor for moral choice in antisocial behavioral contexts, positively charged self-evaluative emotions over acting morally (e.g., pride) most strongly predicted moral choice in prosocial contexts. Older adolescents paid greater attention to outcome-oriented emotions that make the decision to act morally less attractive (e.g., regret). Overall, the study suggests that emotion expectancies influence moral decision making in unique and meaningful ways. Copyright © 2010 Elsevier Inc. All rights reserved.

An exploration of the effectiveness of artificial mini-magnetospheres as a potential Solar Storm shelter for long term human space missions

NASA Astrophysics Data System (ADS)

Bamford, Ruth; Kellett, Barry; Bradford, John; Todd, Tom N.; Stafford-Allen, Robin; Alves, E. Paulo; Silva, Luis; Collingwood, Cheryl; Crawford, Ian A.; Bingham, Robert

2014-12-01

In this paper we explore the effectiveness of an artificial mini-magnetosphere as a potential radiation shelter for long term human space missions. Our study includes the differences that the plasma environment makes to the efficiency of the shielding from the high energy charged particle component of solar and cosmic rays, which radically alters the power requirements. The incoming electrostatic charges are shielded by fields supported by the self captured environmental plasma of the solar wind, potentially augmented with additional density. The artificial magnetic field generated on board acts as the means of confinement and control. Evidence for similar behaviour of electromagnetic fields and ionised particles in interplanetary space can be gained by the example of the enhanced shielding effectiveness of naturally occurring "mini-magnetospheres" on the moon. The shielding effect of surface magnetic fields of the order of ~100s nanoTesla is sufficient to provide effective shielding from solar proton bombardment that culminate in visible discolouration of the lunar regolith known as "lunar swirls". Supporting evidence comes from theory, laboratory experiments and computer simulations that have been obtained on this topic. The result of this work is, hopefully, to provide the tools for a more realistic estimation of the resources versus effectiveness and risk that spacecraft engineers need to work with in designing radiation protection for long-duration human space missions.

Communication: Smoothing out excited-state dynamics: Analytical gradients for dynamically weighted complete active space self-consistent field

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

Glover, W. J., E-mail: williamjglover@gmail.com

2014-11-07

State averaged complete active space self-consistent field (SA-CASSCF) is a workhorse for determining the excited-state electronic structure of molecules, particularly for states with multireference character; however, the method suffers from known issues that have prevented its wider adoption. One issue is the presence of discontinuities in potential energy surfaces when a state that is not included in the state averaging crosses with one that is. In this communication I introduce a new dynamical weight with spline (DWS) scheme that mimics SA-CASSCF while removing energy discontinuities due to unweighted state crossings. In addition, analytical gradients for DWS-CASSCF (and other dynamically weightedmore » schemes) are derived for the first time, enabling energy-conserving excited-state ab initio molecular dynamics in instances where SA-CASSCF fails.« less

Interface-Free Area-Scalable Self-Powered Electroluminescent System Driven by Triboelectric Generator

PubMed Central

Yan Wei, Xiao; Kuang, Shuang Yang; Yang Li, Hua; Pan, Caofeng; Zhu, Guang; Wang, Zhong Lin

2015-01-01

Self-powered system that is interface-free is greatly desired for area-scalable application. Here we report a self-powered electroluminescent system that consists of a triboelectric generator (TEG) and a thin-film electroluminescent (TFEL) lamp. The TEG provides high-voltage alternating electric output, which fits in well with the needs of the TFEL lamp. Induced charges pumped onto the lamp by the TEG generate an electric field that is sufficient to excite luminescence without an electrical interface circuit. Through rational serial connection of multiple TFEL lamps, effective and area-scalable luminescence is realized. It is demonstrated that multiple types of TEGs are applicable to the self-powered system, indicating that the system can make use of diverse mechanical sources and thus has potentially broad applications in illumination, display, entertainment, indication, surveillance and many others. PMID:26338365

14 CFR 1215.113 - User charges.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 14 Aeronautics and Space 5 2010-01-01 2010-01-01 false User charges. 1215.113 Section 1215.113 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION TRACKING AND DATA RELAY SATELLITE SYSTEM (TDRSS) Use and Reimbursement Policy for Non-U.S. Government Users § 1215.113 User charges. (a) The user...

14 CFR 1215.113 - User charges.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 14 Aeronautics and Space 5 2011-01-01 2010-01-01 true User charges. 1215.113 Section 1215.113 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION TRACKING AND DATA RELAY SATELLITE SYSTEM (TDRSS) Use and Reimbursement Policy for Non-U.S. Government Users § 1215.113 User charges. (a) The user...