Local energy equation for two-electron atoms and relation between kinetic energy and electron densities

International Nuclear Information System (INIS)

March, N.H.

2002-08-01

In early work, Dawson and March [J. Chem. Phys. 81, 5850 (1984)] proposed a local energy method for treating both Hartree-Fock and correlated electron theory. Here, an exactly solvable model two-electron atom with pure harmonic interactions is treated in its ground state in the above context. A functional relation between the kinetic energy density t(r) at the origin r=0 and the electron density p(r) at the same point then emerges. The same approach is applied to the Hookean atom; in which the two electrons repel with Coulombic energy e 2 /r 12 , with r 12 the interelectronic separation, but are still harmonically confined. Again the kinetic energy density t(r) is the focal point, but now generalization away from r=0 is also effected. Finally, brief comments are added about He-like atomic ions in the limit of large atomic number. (author)

Quantum ballistic transport by interacting two-electron states in quasi-one-dimensional channels

Energy Technology Data Exchange (ETDEWEB)

Huang, Danhong [Air Force Research Laboratory, Space Vehicles Directorate, Kirtland Air Force Base, New Mexico 87117 (United States); Center for High Technology Materials, University of New Mexico, 1313 Goddard St SE, Albuquerque, New Mexico 87106 (United States); Gumbs, Godfrey [Center for High Technology Materials, University of New Mexico, 1313 Goddard St SE, Albuquerque, New Mexico 87106 (United States); Abranyos, Yonatan [Department of Physics and Astronomy, Hunter College of the City University of New York, 695 Park Avenue, New York, New York 10065 (United States); Pepper, Michael; Kumar, Sanjeev [Department of Electronic and Electrical Engineering, University College London, London, WC1E 7JE (United Kingdom); London Centre for Nanotechnology, 17-19 Gordon Street, London, WC1H 0AH (United Kingdom)

2015-11-15

For quantum ballistic transport of electrons through a short conduction channel, the role of Coulomb interaction may significantly modify the energy levels of two-electron states at low temperatures as the channel becomes wide. In this regime, the Coulomb effect on the two-electron states is calculated and found to lead to four split energy levels, including two anticrossing-level and two crossing-level states. Moreover, due to the interplay of anticrossing and crossing effects, our calculations reveal that the ground two-electron state will switch from one anticrossing state (strong confinement) to a crossing state (intermediate confinement) as the channel width gradually increases and then back to the original anticrossing state (weak confinement) as the channel width becomes larger than a threshold value. This switching behavior leaves a footprint in the ballistic conductance as well as in the diffusion thermoelectric power of electrons. Such a switching is related to the triple spin degeneracy as well as to the Coulomb repulsion in the central region of the channel, which separates two electrons away and pushes them to different channel edges. The conductance reoccurrence region expands from the weak to the intermediate confinement regime with increasing electron density.

Electron correlation energy in confined two-electron systems

Energy Technology Data Exchange (ETDEWEB)

Wilson, C.L. [Chemistry Program, Centre College, 600 West Walnut Street, Danville, KY 40422 (United States); Montgomery, H.E., E-mail: ed.montgomery@centre.ed [Chemistry Program, Centre College, 600 West Walnut Street, Danville, KY 40422 (United States); Sen, K.D. [School of Chemistry, University of Hyderabad, Hyderabad 500 046 (India); Thompson, D.C. [Chemistry Systems and High Performance Computing, Boehringer Ingelheim Pharamaceuticals Inc., 900 Ridgebury Road, Ridgefield, CT 06877 (United States)

2010-09-27

Radial, angular and total correlation energies are calculated for four two-electron systems with atomic numbers Z=0-3 confined within an impenetrable sphere of radius R. We report accurate results for the non-relativistic, restricted Hartree-Fock and radial limit energies over a range of confinement radii from 0.05-10a{sub 0}. At small R, the correlation energies approach limiting values that are independent of Z while at intermediate R, systems with Z{>=}1 exhibit a characteristic maximum in the correlation energy resulting from an increase in the angular correlation energy which is offset by a decrease in the radial correlation energy.

Enhancement of spin polarization induced by Coulomb on-site repulsion between localized pz electrons in graphene embedded with line defects.

Science.gov (United States)

Ren, Ji-Chang; Wang, Zhigang; Zhang, Rui-Qin; Ding, Zejun; Van Hove, Michel A

2015-11-11

It is well known that the effect of Coulomb on-site repulsion can significantly alter the physical properties of the systems that contain localized d and/or f electrons. However, little attention has been paid to the Coulomb on-site repulsion between localized p electrons. In this study, we demonstrated that Coulomb on-site repulsion between localized pz electrons also plays an important role in graphene embedded with line defects. It is shown that the magnetism of the system largely depends on the choice of the effective Coulomb on-site parameter Ueff. Ueff at the edges of the defect enhances the exchange splitting, which increases the magnetic moment and stabilizes a ferromagnetic state of the system. In contrast, Ueff at the center of the defect weakens the spin polarization of the system. The behavior of the magnetism is explained with the Stoner criterion and the charge accumulation at the edges of the defect. Based on the linear response approach, we estimate reasonable values of Ueff to be 2.55 eV (2.3 eV) at the center (edges) of the defects. More importantly, using a DFT+U+J method, we find that exchange interactions between localized p electrons also play an important role in the spin polarization of the system. These results imply that Coulomb on-site repulsion is necessary to describe the strong interaction between localized pz electrons of carbon related materials.

A microelectrostatic repulsive-torque rotation actuator with two-width fingers

International Nuclear Information System (INIS)

Fan, Chao; He, Siyuan

2015-01-01

A microelectrostatic repulsive-torque rotation actuator with two-width fingers is presented. The actuator consists of finger-shaped electrodes and is made of two thin film layers, i.e. one movable layer and one fixed layer. There are two types of finger electrodes, namely constant-width and two-width fingers. The two-width finger has a narrow lower segment and a wide top segment. The constant-width finger has only the narrow lower segment. Each rotation finger has its corresponding aligned and unaligned fixed fingers. The electrostatic repulsive torque is generated and acts on the rotation fingers to rotate them up and away from the substrate. As a result, rotation is not limited by the gap between the movable and fixed layers and the ‘pull-in’ instability is avoided. Thus a large out-of-plane rotation and high operational stability can be achieved. The actuator is suitable for two-layer surface micromachining. The model of the actuator is developed. Prototypes are fabricated and tested. The experimental tests show that the actuator achieved a mechanical rotation of 7.65° at a driving voltage of 150 V. The settling time for a mechanical rotation of 5° is 5.7 ms. (paper)

Mirror nesting and repulsion-induced superconductivity

International Nuclear Information System (INIS)

Belyavsky, Vladimir I.; Kapaev, Vladimir V.; Kopaev, Yurii V.

2004-01-01

Mirror nesting condition that is a rise of pair Fermi contour due to matching of some pieces of the Fermi contour and an isoline of the pair-relative-motion kinetic energy may be satisfied, at definite total pair momenta, due to special features of electron dispersion. Perfect mirror nesting results in a rise of the possibility of superconducting ordering up to arbitrary small pairing repulsive interaction strength. Due to kinematical constraints, the order parameter exists only inside some definite domain of the momentum space and changes its sign on a line belonging to this domain

Cucker-Smale Flocking with Bounded Cohesive and Repulsive Forces

Directory of Open Access Journals (Sweden)

Qiang Song

2013-01-01

Full Text Available This paper proposes two Cucker-Smale-type flocking models by introducing both cohesive and repulsive forces to second-order multiagent systems. Under some mild conditions on the initial state of the flocking system, it is shown that the velocity consensus of the agents can be reached independent of the parameter which describes the decay of communication rates. In particular, the collision between any two agents can always be avoided by designing an appropriate bounded repulsive function based on the initial energy of the flock. Numerical examples are given to demonstrate the effectiveness of the theoretical analysis.

Interaction potential and repulsive force between atoms whose internuclear separations are small

International Nuclear Information System (INIS)

Barbaro, Jacques

1971-01-01

The Thomas-Fermi equation is solved for the homonuclear diatomic molecule. The electronic density and electrostatic potential at each point are used to calculate energies and interaction potentials for very small internuclear separation distances. The repulsive force between atoms is derived by means of the virial theorem. (author) [fr

New method of ionization energy calculation for two-electron ions

International Nuclear Information System (INIS)

Ershov, D.K.

1997-01-01

A new method for calculation of the ionization energy of two-electron ions is proposed. The method is based on the calculation of the energy of second electron interaction with the field of an one-electron ion the potential of which is well known

Decay modes of two repulsively interacting bosons

International Nuclear Information System (INIS)

Kim, Sungyun; Brand, Joachim

2011-01-01

We study the decay of two repulsively interacting bosons tunnelling through a delta potential barrier by a direct numerical solution of the time-dependent Schroedinger equation. The solutions are analysed according to the regions of particle presence: both particles inside the trap (in-in), one particle in and one particle out (in-out) and both particles outside (out-out). It is shown that the in-in probability is dominated by the exponential decay, and its decay rate is predicted very well from outgoing boundary conditions. Up to a certain range of interaction strength, the decay of in-out probability is dominated by the single-particle decay mode. The decay mechanisms are adequately described by simple models.

Dynamical generalization of a solvable family of two-electron model atoms with general interparticle repulsion

International Nuclear Information System (INIS)

Niehaus, T A; Suhai, S; March, N H

2008-01-01

Holas, Howard and March (2003 Phys. Lett. A 310 451) have obtained analytic solutions for ground-state properties of a whole family of two-electron spin-compensated harmonically confined model atoms whose different members are characterized by a specific interparticle potential energy u(r 12 ). Here, we make a start on the dynamic generalization of the harmonic external potential, the motivation being the serious criticism levelled recently against the foundations of time-dependent density-functional theory (e.g., Schirmer and Dreuw 2007 Phys. Rev. A 75 022513). In this context, we derive a simplified expression for the time-dependent electron density for arbitrary interparticle interaction, which is fully determined by a one-dimensional non-interacting Hamiltonian. Moreover, a closed solution for the momentum space density in the Moshinsky model is obtained

Repulsively interacting fermions in a two-dimensional deformed trap with spin-orbit coupling

DEFF Research Database (Denmark)

Marchukov, O. V.; Fedorov, D. V.; Jensen, A. S.

2015-01-01

We investigate a two-dimensional system of fermions with two internal (spin) degrees of freedom. It is confined by a deformed harmonic trap and subject to a Zeeman field, Rashba or Dresselhaus one-body spin-orbit couplings and two-body short range repulsion. We obtain self-consistent mean-field $N...

The similarity of attractive and repulsive forces on a lattice

Science.gov (United States)

Mirahmadi, Marjan-S.; Fatollahi, Amir H.; Khorrami, Mohammad

2015-07-01

On a lattice, as the momentum space is compact, the kinetic energy is bounded not only from below but also from above. It is shown that this somehow removes the distinction between repulsive and attractive forces. In particular, it is seen that a region with attractive force would appear forbidden for states with energies higher than a certain value, while repulsive forces could develop bound-states. An explicit transformation is introduced which transforms the spectrum of a system corresponding to a repulsive force, to that of a similar system corresponding to an attractive force. Explicit numerical examples are presented for discrete energies of bound-states of a particle experiencing repulsive force by a piecewise constant potential. Finally, the parameters of a specific one-dimensional (1D) translationally invariant system on continuum are tuned so that the energy of the system resembles the kinetic energy of a system on a 1D lattice. In particular, the parameters are tuned so that while the width of the first energy band and its position are kept finite, the gap between the first energy band and the next energy band goes to infinity, so that effectively only the first energy band is relevant.

Axelrod models of social influence with cultural repulsion

Science.gov (United States)

Radillo-Díaz, Alejandro; Pérez, Luis A.; Del Castillo-Mussot, Marcelo

2009-12-01

Since both attractive and repulsive effects among agents are important in social systems, we present simulations of two models based on Axelrod’s homogenization mechanism that includes repulsion. These models are the repulsive model, where all individuals can repel, and the partially repulsive model where only a fraction of repelling agents are considered. In these two models, attractive dynamics is implemented for agents with the ability to repel each other only if the number of features shared by them is greater than a threshold parameter. Otherwise, repelling dynamics is used. In the repulsive model, the transition from a monocultural state to a fragmented one often occurs abruptly from one cultural-variability value to the next one and a second transition emerges. For the partially repulsive model, there are also two different transitions present: the initial one being as abrupt as the one found for the repulsive model, whereas the second one follows a less abrupt behavior and resembles that of the original Axelrod model. However, the second transition for this model occurrs from a partially fragmented state and not from a monocultural one.

Defining the contributions of permanent electrostatics, Pauli repulsion, and dispersion in density functional theory calculations of intermolecular interaction energies

Energy Technology Data Exchange (ETDEWEB)

Horn, Paul R., E-mail: prhorn@berkeley.edu; Mao, Yuezhi; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, USA and Chemical Sciences Division Lawrence Berkeley National Laboratory Berkeley, California 94720 (United States)

2016-03-21

In energy decomposition analysis of Kohn-Sham density functional theory calculations, the so-called frozen (or pre-polarization) interaction energy contains contributions from permanent electrostatics, dispersion, and Pauli repulsion. The standard classical approach to separate them suffers from several well-known limitations. We introduce an alternative scheme that employs valid antisymmetric electronic wavefunctions throughout and is based on the identification of individual fragment contributions to the initial supersystem wavefunction as determined by an energetic optimality criterion. The density deformations identified with individual fragments upon formation of the initial supersystem wavefunction are analyzed along with the distance dependence of the new and classical terms for test cases that include the neon dimer, ammonia borane, water-Na{sup +}, water-Cl{sup −}, and the naphthalene dimer.

Role of Coulomb repulsion in multilayer cuprate superconductor

International Nuclear Information System (INIS)

Singh Chauhan, Ekta; Singh, Vipul; Masih, Piyush

2012-01-01

Although BCS theory completely neglects coulomb repulsion; Anderson and Morel showed very early that it plays a central role in superconductivity. Since all high T c superconductors are based on the structure of closely spaced square planner CuO 2 layers and role of interlayer interaction plays important role in enhancement of T c . Therefore the work has been dealt with 'Role of Coulomb repulsion in Multilayer Cuprate Superconductors'. An expression for transition temperature T c is obtained by using simple integration technique and is numerically solved. It has found that T c decreases with electronic repulsion. (author)

Emergent low-energy bound states in the two-orbital Hubbard model

Science.gov (United States)

Núñez-Fernández, Y.; Kotliar, G.; Hallberg, K.

2018-03-01

A repulsive Coulomb interaction between electrons in different orbitals in correlated materials can give rise to bound quasiparticle states. We study the nonhybridized two-orbital Hubbard model with intra- (inter)orbital interaction U (U12) and different bandwidths using an improved dynamical mean-field theory numerical technique which leads to reliable spectra on the real energy axis directly at zero temperature. We find that a finite density of states at the Fermi energy in one band is correlated with the emergence of well-defined quasiparticle states at excited energies Δ =U -U12 in the other band. These excitations are interband holon-doublon bound states. At the symmetric point U =U12 , the quasiparticle peaks are located at the Fermi energy, leading to a simultaneous and continuous Mott transition settling a long-standing controversy.

Quest for Casimir repulsion between Chern-Simons surfaces

Science.gov (United States)

Fialkovsky, Ignat; Khusnutdinov, Nail; Vassilevich, Dmitri

2018-04-01

In this paper we critically reconsider the Casimir repulsion between surfaces that carry the Chern-Simons interaction (corresponding to the Hall-type conductivity). We present a derivation of the Lifshitz formula valid for arbitrary planar geometries and discuss its properties. This analysis allows us to resolve some contradictions in the previous literature. We compute the Casimir energy for two surfaces that have constant longitudinal and Hall conductivities. The repulsion is possible only if both surfaces have Hall conductivities of the same sign. However, there is a critical value of the longitudinal conductivity above which the repulsion disappears. We also consider a model where both parity odd and parity even terms in the conductivity are produced by the polarization tensor of surface modes. In contrast to the previous publications [L. Chen and S.-L. Wan, Phys. Rev. B 84, 075149 (2011), 10.1103/PhysRevB.84.075149; Phys. Rev. B 85, 115102 (2012), 10.1103/PhysRevB.85.115102], we include the parity anomaly term. This term ensures that the conductivities vanish for infinitely massive surface modes. We find that at least for a single mode, regardless of the sign and value of its mass, there is no Casimir repulsion.

Comment on ;Acceleration of particles to high energy via gravitational repulsion in the Schwarzschild field; [Astropart. Phys. 86 (2017) 18-20

Science.gov (United States)

Spallicci, Alessandro D. A. M.

2017-09-01

Comments are due on a recent paper by McGruder III (2017) in which the author deals with the concept of gravitational repulsion in the context of the Schwarzschild-Droste solution. Repulsion (deceleration) for ingoing particles into a black hole is a concept proposed several times starting from Droste himself in 1916. It is a coordinate effect appearing to an observer at a remote distance from the black hole and when coordinate time is employed. Repulsion has no bearing and relation to the local physics of the black hole, and moreover it cannot be held responsible for accelerating outgoing particles. Thereby, the energy boost of cosmic rays cannot be produced by repulsion.

Determining the static electronic and vibrational energy correlations via two-dimensional electronic-vibrational spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Dong, Hui; Lewis, Nicholas H. C.; Oliver, Thomas A. A.; Fleming, Graham R., E-mail: grfleming@lbl.gov [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, Californial 94720 (United States); Kavli Energy NanoSciences Institute at Berkeley, Berkeley, California 94720 (United States)

2015-05-07

Changes in the electronic structure of pigments in protein environments and of polar molecules in solution inevitably induce a re-adaption of molecular nuclear structure. Both changes of electronic and vibrational energies can be probed with visible or infrared lasers, such as two-dimensional electronic spectroscopy or vibrational spectroscopy. The extent to which the two changes are correlated remains elusive. The recent demonstration of two-dimensional electronic-vibrational (2DEV) spectroscopy potentially enables a direct measurement of this correlation experimentally. However, it has hitherto been unclear how to characterize the correlation from the spectra. In this paper, we present a theoretical formalism to demonstrate the slope of the nodal line between the excited state absorption and ground state bleach peaks in the spectra as a characterization of the correlation between electronic and vibrational transition energies. We also show the dynamics of the nodal line slope is correlated to the vibrational spectral dynamics. Additionally, we demonstrate the fundamental 2DEV spectral line-shape of a monomer with newly developed response functions.

Discrete repulsive oscillator wavefunctions

International Nuclear Information System (INIS)

Munoz, Carlos A; Rueda-Paz, Juvenal; Wolf, Kurt Bernardo

2009-01-01

For the study of infinite discrete systems on phase space, the three-dimensional Lorentz algebra and group, so(2,1) and SO(2,1), provide a discrete model of the repulsive oscillator. Its eigenfunctions are found in the principal irreducible representation series, where the compact generator-that we identify with the position operator-has the infinite discrete spectrum of the integers Z, while the spectrum of energies is a double continuum. The right- and left-moving wavefunctions are given by hypergeometric functions that form a Dirac basis for l 2 (Z). Under contraction, the discrete system limits to the well-known quantum repulsive oscillator. Numerical computations of finite approximations raise further questions on the use of Dirac bases for infinite discrete systems.

Vortical null orbits, repulsive barriers, energy confinement in Kerr metric

Energy Technology Data Exchange (ETDEWEB)

Calvani, M [Padua Univ. (Italy). Ist. di Astronomia; De Felice, F

1978-10-01

The complete analytical description of the null trajectories in the field of a Kerr naked singularity is given. Two peculiar phenomena are described: the existence of repulsive barriers in the r < O world and the existence of null circular bound orbits which surround the singularity in 'shells'. They distribute around the surface at r = m, which is the position of the horizon in the extreme black-hole case; this suggests that a naked singularity 'remembers' the position of the last horizon.

Two-extremum electrostatic potential of metal-lattice plasma and the work function of an electron

Directory of Open Access Journals (Sweden)

Surma S.A.

2015-06-01

Full Text Available Metal-lattice plasma is treated as a neutral two-component two-phase system of 2D surface and 3D bulk. Free electron density and bulk chemical potential are used as intensive parameters of the system with the phase boundary position determined in the crystalline lattice. A semiempirical expression for the electron screened electrostatic potential is constructed using the lattice-plasma polarization concept. It comprises an image term and three repulsion/attraction terms of second and fourth orders. The novel curve has two extremes and agrees with certain theoretical forms of potential. A practical formula for the electron work function of metals and a simplified schema of electronic structure at the metal/vacuum interface are proposed. This yields 10.44 eV for the Fermi energy of free electron gas; -5.817 eV for the Fermi energy level; 4.509 eV for the average work function of bcc tungsten. Selected data are also given for fcc Cu and hcp Re. For harmonic frequencies ~ 10E16 per s of the self-excited metal-lattice plasma, energy gaps of 14.54 and 8.02 eV are found, which correspond to the bulk and surface plasmons, respectively. Further extension of this thermodynamics and metal-lattice theory based approach may contribute to a better understanding of theoretical models which are employed in chemical physics, catalysis and materials science of nanostructures.

Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models.

Science.gov (United States)

Curutchet, Carles; Cupellini, Lorenzo; Kongsted, Jacob; Corni, Stefano; Frediani, Luca; Steindal, Arnfinn Hykkerud; Guido, Ciro A; Scalmani, Giovanni; Mennucci, Benedetta

2018-03-13

Mixed multiscale quantum/molecular mechanics (QM/MM) models are widely used to explore the structure, reactivity, and electronic properties of complex chemical systems. Whereas such models typically include electrostatics and potentially polarization in so-called electrostatic and polarizable embedding approaches, respectively, nonelectrostatic dispersion and repulsion interactions are instead commonly described through classical potentials despite their quantum mechanical origin. Here we present an extension of the Tkatchenko-Scheffler semiempirical van der Waals (vdW TS ) scheme aimed at describing dispersion and repulsion interactions between quantum and classical regions within a QM/MM polarizable embedding framework. Starting from the vdW TS expression, we define a dispersion and a repulsion term, both of them density-dependent and consistently based on a Lennard-Jones-like potential. We explore transferable atom type-based parametrization strategies for the MM parameters, based on either vdW TS calculations performed on isolated fragments or on a direct estimation of the parameters from atomic polarizabilities taken from a polarizable force field. We investigate the performance of the implementation by computing self-consistent interaction energies for the S22 benchmark set, designed to represent typical noncovalent interactions in biological systems, in both equilibrium and out-of-equilibrium geometries. Overall, our results suggest that the present implementation is a promising strategy to include dispersion and repulsion in multiscale QM/MM models incorporating their explicit dependence on the electronic density.

Two-component fluid membranes near repulsive walls: Linearized hydrodynamics of equilibrium and nonequilibrium states.

Science.gov (United States)

Sankararaman, Sumithra; Menon, Gautam I; Sunil Kumar, P B

2002-09-01

We study the linearized hydrodynamics of a two-component fluid membrane near a repulsive wall, using a model that incorporates curvature-concentration coupling as well as hydrodynamic interactions. This model is a simplified version of a recently proposed one [J.-B. Manneville et al., Phys. Rev. E 64, 021908 (2001)] for nonequilibrium force centers embedded in fluid membranes, such as light-activated bacteriorhodopsin pumps incorporated in phospholipid egg phosphatidyl choline (EPC) bilayers. The pump-membrane system is modeled as an impermeable, two-component bilayer fluid membrane in the presence of an ambient solvent, in which one component, representing active pumps, is described in terms of force dipoles displaced with respect to the bilayer midpoint. We first discuss the case in which such pumps are rendered inactive, computing the mode structure in the bulk as well as the modification of hydrodynamic properties by the presence of a nearby wall. These results should apply, more generally, to equilibrium fluid membranes comprised of two components, in which the effects of curvature-concentration coupling are significant, above the threshold for phase separation. We then discuss the fluctuations and mode structure in the steady state of active two-component membranes near a repulsive wall. We find that proximity to the wall smoothens membrane height fluctuations in the stable regime, resulting in a logarithmic scaling of the roughness even for initially tensionless membranes. This explicitly nonequilibrium result is a consequence of the incorporation of curvature-concentration coupling in our hydrodynamic treatment. This result also indicates that earlier scaling arguments which obtained an increase in the roughness of active membranes near repulsive walls upon neglecting the role played by such couplings may need to be reevaluated.

Subgap Two-Photon States in Polycyclic Aromatic Hydrocarbons: Evidence for Strong Electron Correlations

OpenAIRE

Aryanpour, K.; Roberts, A.; Sandhu, A.; Rathore, R.; Shukla, A.; Mazumdar, S.

2013-01-01

Strong electron correlation effects in the photophysics of quasi-one-dimensional $\\pi$-conjugated organic systems such as polyenes, polyacetylenes, polydiacetylenes, etc., have been extensively studied. Far less is known on correlation effects in two-dimensional $\\pi$-conjugated systems. Here we present theoretical and experimental evidence for moderate repulsive electron-electron interactions in a number of finite polycyclic aromatic hydrocarbon molecules with $D_{6h}$ symmetry. We show that...

Two-particle approach to the electronic structure of solids

International Nuclear Information System (INIS)

Gonis, A.

2007-01-01

Based on an extension of Hubbard's treatment of the electronic structure of correlated electrons in matter we propose a methodology that incorporates the scattering off the Coulomb interaction through the determination of a two-particle propagator. The Green function equations of motion are then used to obtain single-particle Green functions and related properties such as densities of states. The solutions of the equations of motion in two- and single-particle spaces are accomplished through applications of the coherent potential approximation. The formalism is illustrated by means of calculations for a single-band model system representing a linear arrangement of sites with nearest neighbor hopping and an one-site repulsion when two electrons of opposite spin occupy the same site in the lattice in the manner described by the so-called Hubbard Hamiltonian

Ultracold fermions with repulsive interactions

Directory of Open Access Journals (Sweden)

Ketterle W.

2013-08-01

Full Text Available An ultracold Fermi gas with repulsive interaction has been studied. For weak interactions, the atomic gas is metastable, and the interactions were characterized by obtaining the isothermal compressibility from atomic density profiles. For stronger interactions (kFa ≈ 1, rapid conversion into Feshbach molecules is observed. When the conversion rate becomes comparable to the Fermi energy divided by η, the atomic gas cannot reach equilibrium without forming pairs. This precludes the predicted transition to a ferromagnetic state (Stoner transition. The absence of spin fluctuations proves that the gas stays paramagnetic. In free space, a Fermi gas with strong short-range repulsion does not exist because of the rapid coupling to molecular states.

Coulomb repulsion in short polypeptides.

Science.gov (United States)

Norouzy, Amir; Assaf, Khaleel I; Zhang, Shuai; Jacob, Maik H; Nau, Werner M

2015-01-08

Coulomb repulsion between like-charged side chains is presently viewed as a major force that impacts the biological activity of intrinsically disordered polypeptides (IDPs) by determining their spatial dimensions. We investigated short synthetic models of IDPs, purely composed of ionizable amino acid residues and therefore expected to display an extreme structural and dynamic response to pH variation. Two synergistic, custom-made, time-resolved fluorescence methods were applied in tandem to study the structure and dynamics of the acidic and basic hexapeptides Asp6, Glu6, Arg6, Lys6, and His6 between pH 1 and 12. (i) End-to-end distances were obtained from the short-distance Förster resonance energy transfer (sdFRET) from N-terminal 5-fluoro-l-tryptophan (FTrp) to C-terminal Dbo. (ii) End-to-end collision rates were obtained for the same peptides from the collision-induced fluorescence quenching (CIFQ) of Dbo by FTrp. Unexpectedly, the very high increase of charge density at elevated pH had no dynamical or conformational consequence in the anionic chains, neither in the absence nor in the presence of salt, in conflict with the common view and in partial conflict with accompanying molecular dynamics simulations. In contrast, the cationic peptides responded to ionization but with surprising patterns that mirrored the rich individual characteristics of each side chain type. The contrasting results had to be interpreted, by considering salt screening experiments, N-terminal acetylation, and simulations, in terms of an interplay of local dielectric constant and peptide-length dependent side chain charge-charge repulsion, side chain functional group solvation, N-terminal and side chain charge-charge repulsion, and side chain-side chain as well as side chain-backbone interactions. The common picture that emerged is that Coulomb repulsion between water-solvated side chains is efficiently quenched in short peptides as long as side chains are not in direct contact with each

Effect of hydration repulsion on nanoparticle agglomeration evaluated via a constant number Monte–Carlo simulation

International Nuclear Information System (INIS)

Liu, Haoyang Haven; Lanphere, Jacob; Walker, Sharon; Cohen, Yoram

2015-01-01

The effect of hydration repulsion on the agglomeration of nanoparticles in aqueous suspensions was investigated via the description of agglomeration by the Smoluchowski coagulation equation using constant number Monte–Carlo simulation making use of the classical DLVO theory extended to include the hydration repulsion energy. Evaluation of experimental DLS measurements for TiO 2 , CeO 2 , SiO 2 , and α-Fe 2 O 3 (hematite) at high IS (up to 900 mM) or low |ζ-potential| (≥1.35 mV) demonstrated that hydration repulsion energy can be above electrostatic repulsion energy such that the increased overall repulsion energy can significantly lower the agglomerate diameter relative to the classical DLVO prediction. While the classical DLVO theory, which is reasonably applicable for agglomeration of NPs of high |ζ-potential| (∼>35 mV) in suspensions of low IS (∼<1 mM), it can overpredict agglomerate sizes by up to a factor of 5 at high IS or low |ζ-potential|. Given the potential important role of hydration repulsion over a range of relevant conditions, there is merit in quantifying this repulsion energy over a wide range of conditions as part of overall characterization of NP suspensions. Such information would be of relevance to improved understanding of NP agglomeration in aqueous suspensions and its correlation with NP physicochemical and solution properties. (paper)

Understanding valence-shell electron-pair repulsion (VSEPR) theory using origami molecular models

International Nuclear Information System (INIS)

Saraswati, Teguh Endah; Saputro, Sulistyo; Ramli, Murni; Praseptiangga, Danar; Khasanah, Nurul; Marwati, Sri

2017-01-01

Valence-shell electron-pair repulsion (VSEPR) theory is conventionally used to predict molecular geometry. However, it is difficult to explore the full implications of this theory by simply drawing chemical structures. Here, we introduce origami modelling as a more accessible approach for exploration of the VSEPR theory. Our technique is simple, readily accessible and inexpensive compared with other sophisticated methods such as computer simulation or commercial three-dimensional modelling kits. This method can be implemented in chemistry education at both the high school and university levels. We discuss the example of a simple molecular structure prediction for ammonia (NH 3 ). Using the origami model, both molecular shape and the scientific justification can be visualized easily. This ‘hands-on’ approach to building molecules will help promote understanding of VSEPR theory. (paper)

Understanding valence-shell electron-pair repulsion (VSEPR) theory using origami molecular models

Science.gov (United States)

Endah Saraswati, Teguh; Saputro, Sulistyo; Ramli, Murni; Praseptiangga, Danar; Khasanah, Nurul; Marwati, Sri

2017-01-01

Valence-shell electron-pair repulsion (VSEPR) theory is conventionally used to predict molecular geometry. However, it is difficult to explore the full implications of this theory by simply drawing chemical structures. Here, we introduce origami modelling as a more accessible approach for exploration of the VSEPR theory. Our technique is simple, readily accessible and inexpensive compared with other sophisticated methods such as computer simulation or commercial three-dimensional modelling kits. This method can be implemented in chemistry education at both the high school and university levels. We discuss the example of a simple molecular structure prediction for ammonia (NH3). Using the origami model, both molecular shape and the scientific justification can be visualized easily. This ‘hands-on’ approach to building molecules will help promote understanding of VSEPR theory.

Repulsion analysis of permanent magnets for the Hoop energy storage system

International Nuclear Information System (INIS)

O, B. H.; Cho, S. B.; Kim, D. I.

1996-01-01

The repulsion force of permanent magnets is studied in order to analyze the instability problem of the rotational motion of a hoop levitated by permanent magnets in the Hoop Energy Storage System (HESS). The hoop of permanent magnets is levitated to remove the mechanical complexities caused by the rotational axis. It is important to maintain stable rotational motion at any speed for the efficiency as well as the safety of the system. To set up the equations of motion, the force of levitation and the source of perturbation are represented in terms of real parameters of the permanent magnets. The instability conditions and various geometric effects of the permanent magnets are analyzed. (author)

Repulsion-based model for contact angle saturation in electrowetting.

Science.gov (United States)

Ali, Hassan Abdelmoumen Abdellah; Mohamed, Hany Ahmed; Abdelgawad, Mohamed

2015-01-01

We introduce a new model for contact angle saturation phenomenon in electrowetting on dielectric systems. This new model attributes contact angle saturation to repulsion between trapped charges on the cap and base surfaces of the droplet in the vicinity of the three-phase contact line, which prevents these surfaces from converging during contact angle reduction. This repulsion-based saturation is similar to repulsion between charges accumulated on the surfaces of conducting droplets which causes the well known Coulombic fission and Taylor cone formation phenomena. In our model, both the droplet and dielectric coating were treated as lossy dielectric media (i.e., having finite electrical conductivities and permittivities) contrary to the more common assumption of a perfectly conducting droplet and perfectly insulating dielectric. We used theoretical analysis and numerical simulations to find actual charge distribution on droplet surface, calculate repulsion energy, and minimize energy of the total system as a function of droplet contact angle. Resulting saturation curves were in good agreement with previously reported experimental results. We used this proposed model to predict effect of changing liquid properties, such as electrical conductivity, and system parameters, such as thickness of the dielectric layer, on the saturation angle, which also matched experimental results.

Electron-electron interaction in strong electromagnetic fields The two-electron contribution to the ground-state energy in He-like uranium

CERN Document Server

Gumberidze, A; Barnás, D; Beckert, Karl; Beller, Peter; Beyer, H F; Bosch, F; Cai, X; Stöhlker, T; Hagmann, S; Kozhuharov, C; Liesen, D; Nolden, F; Ma, X; Mokler, P H; Orsic-Muthig, A; Steck, Markus; Sierpowski, D; Tashenov, S; Warczak, A; Zou, Y

2004-01-01

Radiative recombination transitions into the ground state of cooled bare and hydrogen-like uranium ions were measured at the storage ring ESR. By comparing the corresponding x-ray centroid energies, this technique allows for a direct measurement of the electron-electron contribution to the ionization potential in the heaviest He-like ions. For the two-electron contribution to the ionization potential of He-like uranium we obtain a value of 2248 ± 9 eV. This represents the most accurate determination of two-electron effects in the domain of high-Z He-like ions and the accuracy reaches already the size of the specific two-electron radiative QED corrections.

Repulsive DNA-DNA interactions accelerate viral DNA packaging in phage Phi29.

Science.gov (United States)

Keller, Nicholas; delToro, Damian; Grimes, Shelley; Jardine, Paul J; Smith, Douglas E

2014-06-20

We use optical tweezers to study the effect of attractive versus repulsive DNA-DNA interactions on motor-driven viral packaging. Screening of repulsive interactions accelerates packaging, but induction of attractive interactions by spermidine(3+) causes heterogeneous dynamics. Acceleration is observed in a fraction of complexes, but most exhibit slowing and stalling, suggesting that attractive interactions promote nonequilibrium DNA conformations that impede the motor. Thus, repulsive interactions facilitate packaging despite increasing the energy of the theoretical optimum spooled DNA conformation.

Electronic and Structural Properties of ABO3: Role of the B-O Coulomb Repulsions for Ferroelectricity.

Science.gov (United States)

Miura, Kaoru; Azuma, Masaki; Funakubo, Hiroshi

2011-01-17

We have investigated the role of the Ti-O Coulomb repulsions in the appearance of the ferroelectric state in BaTiO3 as well as the role of the Zn-O Coulomb repulsions in BiZn0.5Ti0.5O3, using a first-principles calculation with optimized structures. In tetragonal BaTiO3, it is found that the Coulomb repulsions between Ti 3s and 3p states and O 2s and 2p states have an important role for the appearance of Ti ion displacement. In BiZn0.5Ti0.5O3, on the other hand, the stronger Zn-O Coulomb repulsions, which are due to the 3s, 3p, and 3d (d10) states of the Zn ion, have more important role than the Ti-O Coulomb repulsions for the appearance of the tetragonal structure. Our suggestion is consistent with the other ferroelectric perovskite oxides ABO3 in the appearance of tetragonal structures as well as rhombohedral structures.

Electron beam directed energy device and methods of using same

Science.gov (United States)

Retsky, Michael W.

2007-10-16

A method and apparatus is disclosed for an electron beam directed energy device. The device consists of an electron gun with one or more electron beams. The device includes one or more accelerating plates with holes aligned for beam passage. The plates may be flat or preferably shaped to direct each electron beam to exit the electron gun at a predetermined orientation. In one preferred application, the device is located in outer space with individual beams that are directed to focus at a distant target to be used to impact and destroy missiles. The aimings of the separate beams are designed to overcome Coulomb repulsion. A method is also presented for directing the beams to a target considering the variable terrestrial magnetic field. In another preferred application, the electron beam is directed into the ground to produce a subsurface x-ray source to locate and/or destroy buried or otherwise hidden objects including explosive devices.

Ensemble averaged coherent state path integral for disordered bosons with a repulsive interaction (Derivation of mean field equations)

International Nuclear Information System (INIS)

Mieck, B.

2007-01-01

We consider bosonic atoms with a repulsive contact interaction in a trap potential for a Bose-Einstein condensation (BEC) and additionally include a random potential. The ensemble averages for two models of static (I) and dynamic (II) disorder are performed and investigated in parallel. The bosonic many body systems of the two disorder models are represented by coherent state path integrals on the Keldysh time contour which allow exact ensemble averages for zero and finite temperatures. These ensemble averages of coherent state path integrals therefore present alternatives to replica field theories or super-symmetric averaging techniques. Hubbard-Stratonovich transformations (HST) lead to two corresponding self-energies for the hermitian repulsive interaction and for the non-hermitian disorder-interaction. The self-energy of the repulsive interaction is absorbed by a shift into the disorder-self-energy which comprises as an element of a larger symplectic Lie algebra sp(4M) the self-energy of the repulsive interaction as a subalgebra (which is equivalent to the direct product of M x sp(2); 'M' is the number of discrete time intervals of the disorder-self-energy in the generating function). After removal of the remaining Gaussian integral for the self-energy of the repulsive interaction, the first order variations of the coherent state path integrals result in the exact mean field or saddle point equations, solely depending on the disorder-self-energy matrix. These equations can be solved by continued fractions and are reminiscent to the 'Nambu-Gorkov' Green function formalism in superconductivity because anomalous terms or pair condensates of the bosonic atoms are also included into the selfenergies. The derived mean field equations of the models with static (I) and dynamic (II) disorder are particularly applicable for BEC in d=3 spatial dimensions because of the singularity of the density of states at vanishing wavevector. However, one usually starts out from

Why LiFePO4 is a safe battery electrode: Coulomb repulsion induced electron-state reshuffling upon lithiation.

Science.gov (United States)

Liu, Xiaosong; Wang, Yung Jui; Barbiellini, Bernardo; Hafiz, Hasnain; Basak, Susmita; Liu, Jun; Richardson, Thomas; Shu, Guojiun; Chou, Fangcheng; Weng, Tsu-Chien; Nordlund, Dennis; Sokaras, Dimosthenis; Moritz, Brian; Devereaux, Thomas P; Qiao, Ruimin; Chuang, Yi-De; Bansil, Arun; Hussain, Zahid; Yang, Wanli

2015-10-21

LiFePO4 is a battery cathode material with high safety standards due to its unique electronic structure. We performed systematic experimental and theoretical studies based on soft X-ray emission, absorption, and hard X-ray Raman spectroscopy of LixFePO4 nanoparticles and single crystals. The results clearly show a non-rigid electron-state reconfiguration of both the occupied and unoccupied Fe-3d and O-2p states during the (de)lithiation process. We focus on the energy configurations of the occupied states of LiFePO4 and the unoccupied states of FePO4, which are the critical states where electrons are removed and injected during the charge and discharge process, respectively. In LiFePO4, the soft X-ray emission spectroscopy shows that, due to the Coulomb repulsion effect, the occupied Fe-3d states with the minority spin sit close to the Fermi level. In FePO4, the soft X-ray absorption and hard X-ray Raman spectroscopy show that the unoccupied Fe-3d states again sit close to the Fermi level. These critical 3d electron state configurations are consistent with the calculations based on modified Becke and Johnson potentials GGA+U (MBJGGA+U) framework, which improves the overall lineshape prediction compared with the conventionally used GGA+U method. The combined experimental and theoretical studies show that the non-rigid electron state reshuffling guarantees the stability of oxygen during the redox reaction throughout the charge and discharge process of LiFePO4 electrodes, leading to the intrinsic safe performance of the electrodes.

Hydrogen detachment driven by a repulsive 1πσ* state - an electron localization function study of 3-amino-1,2,4-triazole.

Science.gov (United States)

Bil, Andrzej; Latajka, Zdzisław; Biczysko, Malgorzata

2018-02-14

Electron localization function analysis reveals the details of a charge induced hydrogen detachment mechanism of 3-amino-1,2,4-triazole, identified recently to be responsible for phototautomerization of the molecule. In this process vertical excitation to the 1 πσ* state is followed by the barrier-less migration of a H atom along the N-H bond toward the conical intersection with the S0 ground state. The most striking feature revealed for the 1 πσ* state is partial ejection of σ* electrons outside the molecule, even beyond the NH group, at the Franck-Condon point. Further gradual spatial localization of the electron around the proton moving along the N-H stretching coordinate gives a plausible explanation for the repulsive character of the 1 πσ* potential energy surface with the proton wading through the region of space where some negative charge is accumulated ('a virtual acceptor'), dragging some electron density. This mechanism resembles the one postulated for the hydrogen transfer from a donor molecule (D-H) to an acceptor one (A) in a class of vertically excited molecules with a preexisting inter- or intramolecular D-HA motif, even though the acceptor molecule is absent. The present analysis demonstrates also that the bond evolution and changes in the electron density along the excited state reaction path can be effectively studied with the use of an electron localization function.

Spin–orbit coupling, minimal model and potential Cooper-pairing from repulsion in BiS2-superconductors

Science.gov (United States)

Cobo-Lopez, Sergio; Saeed Bahramy, Mohammad; Arita, Ryotaro; Akbari, Alireza; Eremin, Ilya

2018-04-01

We develop the realistic minimal electronic model for recently discovered BiS2 superconductors including the spin–orbit (SO) coupling based on the first-principles band structure calculations. Due to strong SO coupling, characteristic for the Bi-based systems, the tight-binding low-energy model necessarily includes p x , p y , and p z orbitals. We analyze a potential Cooper-pairing instability from purely repulsive interaction for the moderate electronic correlations using the so-called leading angular harmonics approximation. For small and intermediate doping concentrations we find the dominant instabilities to be {d}{x2-{y}2}-wave, and s ±-wave symmetries, respectively. At the same time, in the absence of the sizable spin fluctuations the intra and interband Coulomb repulsions are of the same strength, which yield the strongly anisotropic behavior of the superconducting gaps on the Fermi surface. This agrees with recent angle resolved photoemission spectroscopy findings. In addition, we find that the Fermi surface topology for BiS2 layered systems at large electron doping can resemble the doped iron-based pnictide superconductors with electron and hole Fermi surfaces maintaining sufficient nesting between them. This could provide further boost to increase T c in these systems.

Trapping a Knot into Tight Conformations by Intra-Chain Repulsions

Directory of Open Access Journals (Sweden)

Liang Dai

2017-02-01

Full Text Available Knots can occur in biopolymers such as DNA and peptides. In our previous study, we systematically investigated the effects of intra-chain interactions on knots and found that long-range repulsions can surprisingly tighten knots. Here, we use this knowledge to trap a knot into tight conformations in Langevin dynamics simulations. By trapping, we mean that the free energy landscape with respect to the knot size exhibits a potential well around a small knot size in the presence of long-range repulsions, and this potential can well lead to long-lived tight knots when its depth is comparable to or larger than thermal energy. We tune the strength of intra-chain repulsion such that a knot is weakly trapped. Driven by thermal fluctuations, the knot can escape from the trap and is then re-trapped. We find that the knot switches between tight and loose conformations—referred to as “knot breathing”. We use a Yukawa potential to model screened electrostatic interactions to explore the relevance of knot trapping and breathing in charged biopolymers. We determine the minimal screened length and the minimal strength of repulsion for knot trapping. We find that Coulomb-induced knot trapping is possible to occur in single-stranded DNA and peptides for normal ionic strengths.

Condensed phase QM/MM simulations utilizing the exchange core functions to describe exchange repulsions at the QM boundary region

International Nuclear Information System (INIS)

Umino, Satoru; Takahashi, Hideaki; Morita, Akihiro

2016-01-01

In a recent work, we developed a method [H. Takahashi et al., J. Chem. Phys. 143, 084104 (2015)] referred to as exchange-core function (ECF) approach, to compute exchange repulsion E ex between solute and solvent in the framework of the quantum mechanical (QM)/molecular mechanical (MM) method. The ECF, represented with a Slater function, plays an essential role in determining E ex on the basis of the overlap model. In the work of Takahashi et al. [J. Chem. Phys. 143, 084104 (2015)], it was demonstrated that our approach is successful in computing the hydrogen bond energies of minimal QM/MM systems including a cationic QM solute. We provide in this paper the extension of the ECF approach to the free energy calculation in condensed phase QM/MM systems by combining the ECF and the QM/MM-ER approach [H. Takahashi et al., J. Chem. Phys. 121, 3989 (2004)]. By virtue of the theory of solutions in energy representation, the free energy contribution δμ ex from the exchange repulsion was naturally formulated. We found that the ECF approach in combination with QM/MM-ER gives a substantial improvement on the calculation of the hydration free energy of a hydronium ion. This can be attributed to the fact that the ECF reasonably realizes the contraction of the electron density of the cation due to the deficit of an electron.

Study on the behaviour of high energy electrons in REPUTE-1 ULQ plasmas

International Nuclear Information System (INIS)

Ogawa, Y.; Morikawa, J.; Nihei, H.; Nakajima, T.; Ozawa, D.; Ohno, M.; Suzuki, T.; Himura, H.; Yoshida, Z.; Morita, S.; Shirai, Y.

2001-01-01

In REPUTE-1 Ultra-Low-q (ULQ) plasmas, behaviors of high energy electrons have been studied through a low-Z pellet injection experiment, in addition to the measurements of soft-X ray PHA and Electron Energy Analyzer (EEA). The high energy tail has been measured in the soft-X ray spectrum, and EEA signal has shown a strong anisotropy of the electron distribution function (i.e., the electron flux to the electron drift side is dominant). To study temporal and spatial information on these high energy electrons, a low-Z pellet injection experiment has been conducted. A small piece of plastic pellet is injected from the top of the REPUTE-1 device, and the trajectory of the pellet inside the plasma is measured by CCD camera. We have observed a large deflection of the pellet trajectory to the toroidal direction opposite to the plasma current (i.e., the electron drift side). This suggests that a pellet is ablated selectively only from one side due to the high energy electrons with a large heat flux. We have calculated the heat flux carried by high energy electrons. Since the repulsion force to the pellet can be calculated with the 2 nd derivative of the pellet trajectory, we have estimated the heat flux of high energy electrons to be a few tens MW/m 2 around the plasma center. Experimental data by EEA measurement and low-Z pellet ablation show the large population of the high energy electrons at the core region in comparison with the edge region, suggesting a MHD dynamo mechanism for the production of the high energy electrons. (author)

Casimir Repulsion between Metallic Objects in Vacuum

International Nuclear Information System (INIS)

Levin, Michael; McCauley, Alexander P.; Rodriguez, Alejandro W.; Reid, M. T. Homer; Johnson, Steven G.

2010-01-01

We give an example of a geometry in which two metallic objects in vacuum experience a repulsive Casimir force. The geometry consists of an elongated metal particle centered above a metal plate with a hole. We prove that this geometry has a repulsive regime using a symmetry argument and confirm it with numerical calculations for both perfect and realistic metals. The system does not support stable levitation, as the particle is unstable to displacements away from the symmetry axis.

4-center STO interelectron repulsion integrals with Coulomb Sturmians

DEFF Research Database (Denmark)

Avery, James Emil; Avery, John Scales

2018-01-01

Abstract We present a method for evaluating 4-center electron repulsion integrals (ERI) for Slater-type orbitals by way of expansions in terms of Coulomb Sturmians. The ERIs can then be evaluated using our previously published methods for rapid evaluation of Coulomb Sturmians through hyperspherical...

Contribution of on-site Coulomb repulsion energy to structural, electronic and magnetic properties of SrCoO3 for different space groups: first-principles study

Directory of Open Access Journals (Sweden)

Muhammady Shibghatullah

2018-03-01

Full Text Available We report structural, electronic, and magnetic properties of SrCoO3 in Pm3̅m and P4/mbm space groups, which are calculated by using generalized gradient approximation corrected with on-site Coulomb repulsion U and exchange energies J. The cubic lattice parameter a and local magnetic moments of Co (μCo are optimized by varying U at Co 3d site. Employing ultrasoft pseudopotential, the values of U = 8 eV and J = 0.75 eV are the best choice for Pm3̅m space group. We found the value of μCo = 2.56 μB, which is consistent with the previous results. It was also found that Co 3d, hybridized with O 2p, is the main contributor to ferromagnetic metallic properties. Besides, norm-conserving pseudopotential promotes a, which is in good agreement with experimental result. However, it is not suitable for P4/mbm space group. By using ultrasoft pseudopotential, the value of U = 3 eV (J = 0.75 is the most suitable for P4/mbm group. Ferromagnetic metallic properties, Jahn-Teller distortion, and reasonable lattice parameters have been obtained. This study shows that U has significant contribution to the calculated properties and also points out that P4/mbm space group with US-PP is suitable to describe experimental results.

Repulsive gravitational forces: A possible mechanism for clustering

International Nuclear Information System (INIS)

Eisenstaedt, J.

1977-01-01

It is well known that, in a homogeneous cosmological universe, a positive cosmological constant induces repulsive forces. We show here that in a locally inhomogeneous cosmological model these repulsive forces are related to the sign of q, the deceleration parameter of the associated cosmological space, and to the sign of m, the apparent mass of the central perturbation (which can be negative with a positive energy density everywhere). When q is almost zero--crossing the value zero--small random perturbations of the matter density are the sources of a gravitational instability which can generate a mechanism of fragmentation in an a priori homogeneous universe

Superconductivity in a Repulsive Model

DEFF Research Database (Denmark)

Feldman, Joel; Knoerrer, Horst; Sinclair, Robert

1997-01-01

A two-dimensional system of Fermions with classical dispersion relationand a purely repulsive delta function pair potential generates the dominant attractive coupling in the third order Bethe-Salpeter approximation for the Cooper channel. This suggests that the ground state is an l=1 superconductor....

Condensed phase QM/MM simulations utilizing the exchange core functions to describe exchange repulsions at the QM boundary region

Energy Technology Data Exchange (ETDEWEB)

Umino, Satoru; Takahashi, Hideaki, E-mail: hideaki@m.tohoku.ac.jp; Morita, Akihiro [Department of Chemistry, Graduate School of Science, Tohoku University, Sendai, Miyagi 980-8578 (Japan)

2016-08-28

In a recent work, we developed a method [H. Takahashi et al., J. Chem. Phys. 143, 084104 (2015)] referred to as exchange-core function (ECF) approach, to compute exchange repulsion E{sub ex} between solute and solvent in the framework of the quantum mechanical (QM)/molecular mechanical (MM) method. The ECF, represented with a Slater function, plays an essential role in determining E{sub ex} on the basis of the overlap model. In the work of Takahashi et al. [J. Chem. Phys. 143, 084104 (2015)], it was demonstrated that our approach is successful in computing the hydrogen bond energies of minimal QM/MM systems including a cationic QM solute. We provide in this paper the extension of the ECF approach to the free energy calculation in condensed phase QM/MM systems by combining the ECF and the QM/MM-ER approach [H. Takahashi et al., J. Chem. Phys. 121, 3989 (2004)]. By virtue of the theory of solutions in energy representation, the free energy contribution δμ{sub ex} from the exchange repulsion was naturally formulated. We found that the ECF approach in combination with QM/MM-ER gives a substantial improvement on the calculation of the hydration free energy of a hydronium ion. This can be attributed to the fact that the ECF reasonably realizes the contraction of the electron density of the cation due to the deficit of an electron.

Mapping between Hamiltonians with attractive and repulsive potentials on a lattice

International Nuclear Information System (INIS)

Joglekar, Yogesh N.

2010-01-01

Through a simple and exact analytical derivation, we show that for a particle on a lattice there is a one-to-one correspondence between the spectrum in the presence of an attractive potential V and its repulsive counterpart -V. For a Hermitian potential, this result implies that the number of localized states is the same in both attractive and repulsive cases although these states occur above (below) the band continuum for the repulsive (attractive) case. For a PT-symmetric potential that is odd under parity, our result implies that, in the PT-unbroken phase, the energy eigenvalues are symmetric around zero and that the corresponding eigenfunctions are closely related to each other.

Electron correlations in quantum dots

International Nuclear Information System (INIS)

Tipton, Denver Leonard John

2001-01-01

Quantum dot structures confine electrons in a small region of space. Some properties of semiconductor quantum dots, such as the discrete energy levels and shell filling effects visible in addition spectra, have analogies to those of atoms and indeed dots are sometimes referred to as 'artificial atoms'. However, atoms and dots show some fundamental differences due to electron correlations. For real atoms, the kinetic energy of electrons dominates over their mutual Coulomb repulsion energy and for this reason the independent electron approximation works well. For quantum dots the confining potential may be shallower than that of real atoms leading to lower electron densities and a dominance of mutual Coulomb repulsion over kinetic energy. In this strongly correlated regime the independent electron picture leads to qualitatively incorrect results. This thesis concentrates on few-electron quantum dots in the strongly correlated regime both for quasi-one-dimensional and two-dimensional dots in a square confining potential. In this so-called 'Wigner' regime the ground-state electronic charge density is localised near positions of classical electrostatic minima and the interacting electronic spectrum consists of well separated spin multiplets. In the strongly correlated regime the structure of low-energy multiplets is explained by mapping onto lattice models with extended-Hubbard and Heisenberg effective Hamiltonians. The parameters for these effective models are calculated within a Hartree approximation and are shown to reproduce well the exact results obtained by numerical diagonalisation of the full interacting Hamiltonian. Comparison is made between square dots and quantum rings with full rotational symmetry. In the very low-density regime, direct diagonalisation becomes impractical due to excessive computer time for convergence. In this regime a numerical renormalisation group method is applied to one-dimensional dots, enabling effective spin-interactions to be

Two-dimensional angular energy spectrum of electrons accelerated by the ultra-short relativistic laser pulse

Energy Technology Data Exchange (ETDEWEB)

Borovskiy, A. V. [Department of Computer Science and Cybernetics, Baikal State University of Economics and Law, 11 Lenin Street, Irkutsk 664003 (Russian Federation); Galkin, A. L. [Coherent and Nonlinear Optics Department, A.M. Prokhorov General Physics Institute of the RAS, 38 Vavilov Street, Moscow 119991 (Russian Federation); Department of Physics of MBF, Pirogov Russian National Research Medical University, 1 Ostrovitianov Street, Moscow 117997 (Russian Federation); Kalashnikov, M. P., E-mail: galkin@kapella.gpi.ru [Max-Born-Institute for Nonlinear Optics and Short-Time Spectroscopy, 2a Max-Born-Strasse, Berlin 12489 (Germany)

2015-04-15

The new method of calculating energy spectra of accelerated electrons, based on the parameterization by their initial coordinates, is proposed. The energy spectra of electrons accelerated by Gaussian ultra-short relativistic laser pulse at a selected angle to the axis of the optical system focusing the laser pulse in a low density gas are theoretically calculated. The two-peak structure of the electron energy spectrum is obtained. Discussed are the reasons for its appearance as well as an applicability of other models of the laser field.

Superconductivity in a Fermi liquid from repulsive interactions: The role of electron–phonon interaction

International Nuclear Information System (INIS)

Fan, J.D.; Malozovsky, Y.M.

2013-01-01

Highlights: • The sign reversal of pair interaction in momentum space is proved. • It is also shown that electron-phonon interaction in fact leads to the pairing-break effect. • Transition temperature into superconductivity depends on competition between electron-phonon and Coulomb interactions. • Calculated exponent α of the isotope effect shows the possibility equal to, greater or less than 0.5, and even negative. -- Abstract: Based on our previously proven theorem that the interaction between a pair of quasiparticles in the normal Fermi liquid has an opposite sign to the interaction between particles, we consider pair correlation between a pair of quasiparticles when the interaction between particles is repulsive. For the convenience of statements, we have presented in this article once again the proof of the theorem in terms of an exact equation for the thermodynamic potential due to interaction between particles and based on the Green’s function method. Further, we have derived the Landau expansion of the thermodynamic potentials in terms of the variation of the quasiparticle distribution function. We have also derived the expansion of the thermodynamic potential in terms of the variation of an exact single particle (not quasiparticles), these derivations lead to the relationship between the interaction function for two quasiparticles and the interaction energy between two particles as shown. According to the proven theorem the interaction between a pair of quasiparticles is attractive in this case, the pairing – Cooper’s pairing between a pair of quasiparticles is possible. We solve the Bethe–Salpeter type equation for paring of two quasiparticles when both interactions – the Coulomb repulsive and electron–phonon interaction are present. We show that the electron–phonon interaction, in fact, leads to the pair breaking effect, in contrast to the common belief that electron–phonon interaction is the main mechanism for Cooper’s pair

Repulsion between oppositely charged planar macroions.

Directory of Open Access Journals (Sweden)

YongSeok Jho

Full Text Available The repulsive interaction between oppositely charged macroions is investigated using Grand Canonical Monte Carlo simulations of an unrestricted primitive model, including the effect of inhomogeneous surface charge and its density, the depth of surface charge, the cation size, and the dielectric permittivity of solvent and macroions, and their contrast. The origin of the repulsion is a combination of osmotic pressure and ionic screening resulting from excess salt between the macroions. The excess charge over-reduces the electrostatic attraction between macroions and raises the entropic repulsion. The magnitude of the repulsion increases when the dielectric constant of the solvent is lowered (below that of water and/or the surface charge density is increased, in good agreement with experiment. Smaller size of surface charge and the cation, their discreteness and mobility are other factors that enhance the repulsion and charge inversion phenomenons.

Even-parity spin-triplet pairing by purely repulsive interactions for orbitally degenerate correlated fermions

International Nuclear Information System (INIS)

Zegrodnik, M; Bünemann, J; Spałek, J

2014-01-01

We demonstrate the stability of the spin-triplet paired s-wave (with an admixture of extended s-wave) state for the limit of purely repulsive interactions in a degenerate two-band Hubbard model of correlated fermions. The repulsive interactions limit represents an essential extension of our previous analysis (2013 New J. Phys. 15 073050), regarded here as I. We also show that near the half-filling the considered type of superconductivity can coexist with antiferromagnetism. The calculations have been carried out with the use of the so-called statistically consistent Gutzwiller approximation (SGA) for the case of a square lattice. We suggest that the electron correlations in conjunction with the Hund's rule exchange play the crucial role in stabilizing the real-space spin-triplet superconducting state. A sizable hybridization of the bands suppresses the homogeneous paired state. (paper)

Unconventional superconductivity in a two-dimensional repulsive gas of fermions with spin-orbit coupling

Science.gov (United States)

Wang, Luyang; Vafek, Oskar

2014-02-01

We investigate the superconducting instability of a two-dimensional repulsive Fermi gas with Rashba spin-orbit coupling αR. Using renormalization group approach, we find the superconducting transition temperature as a function of the dimensionless ratio Θ=1}/{2}mαR2/EF where EF = 0 when the smaller Fermi surface shrinks to a (Dirac) point. The general trend is that superconductivity is enhanced as Θ increases, but in an intermediate regime Θ ∼ 0.1, a dome-like behavior appears. At a very small value of Θ, the angular momentum channel jz in which superconductivity occurs is quite high. With increasing Θ, jz decreases with a step of 2 down to jz = 6, after which we find the sequence jz = 6, 4, 6, 2, the last value of which continues to Θ → ∞. In an extended range of Θ, the superconducting gap predominantly resides on the large Fermi surface, while Josephson coupling induces a much smaller gap on the small Fermi surface. Below the superconducting transition temperature, we apply mean field theory to derive the self-consistent equations and find the condensation energies. The state with the lowest condensation energy is an unconventional superconducting state which breaks time-reversal symmetry, and in which singlet and triplet pairings are mixed. In general, these states are topologically nontrivial, and the Chern number of the state with total angular momentum jz is C = 2jz.

Discontinuous nature of the repulsive-to-attractive colloidal glass transition.

Science.gov (United States)

van de Laar, T; Higler, R; Schroën, K; Sprakel, J

2016-03-04

In purely repulsive colloidal systems a glass transition can be reached by increasing the particle volume fraction beyond a certain threshold. The resulting glassy state is governed by configurational cages which confine particles and restrict their motion. A colloidal glass may also be formed by inducing attractive interactions between the particles. When attraction is turned on in a repulsive colloidal glass a re-entrant solidification ensues. Initially, the repulsive glass melts as free volume in the system increases. As the attraction strength is increased further, this weakened configurational glass gives way to an attractive glass in which motion is hindered by the formation of physical bonds between neighboring particles. In this paper, we study the transition from repulsive-to-attractive glasses using three-dimensional imaging at the single-particle level. We show how the onset of cage weakening and bond formation is signalled by subtle changes in local structure. We then demonstrate the discontinuous nature of the solid-solid transition, which is marked by a critical onset at a threshold bonding energy. Finally, we highlight how the interplay between bonding and caging leads to complex and heterogeneous dynamics at the microscale.

Bosons system with finite repulsive interaction: self-consistent field method

International Nuclear Information System (INIS)

Renatino, M.M.B.

1983-01-01

Some static properties of a boson system (T = zero degree Kelvin), under the action of a repulsive potential are studied. For the repulsive potential, a model was adopted consisting of a region where it is constant (r c ), and a decay as 1/r (r > r c ). The self-consistent field approximation used takes into account short range correlations through a local field corrections, which leads to an effective field. The static structure factor S(q-vector) and the effective potential ψ(q-vector) are obtained through a self-consistent calculation. The pair-correlation function g(r-vector) and the energy of the collective excitations E(q-vector) are also obtained, from the structure factor. The density of the system and the parameters of the repulsive potential, that is, its height and the size of the constant region were used as variables for the problem. The results obtained for S(q-vector), g(r-vector) and E(q-vector) for a fixed ratio r o /r c and a variable λ, indicates the raising of a system structure, which is more noticeable when the potential became more repulsive. (author)

Two electron Rydberg states

International Nuclear Information System (INIS)

Cooke, W.E.

1981-01-01

This paper addresses the study of two-electron Rydberg atoms. With Multichannel Quantum Defect Theory (MQDT), there is a technique for characterizing a spectra in terms of a small number of parameters. A survey of some important effects specific to two-electon Rydberg states, using primarily the alkaline earth atoms for examples, is made. The remainder of the paper deals with a discussion of the electron-electron interaction, including some of the basic points of MQDT. Energy exchange between two electrons is also addressed

An Adaptation-Induced Repulsion Illusion in Tactile Spatial Perception

Directory of Open Access Journals (Sweden)

Lux Li

2017-06-01

Full Text Available Following focal sensory adaptation, the perceived separation between visual stimuli that straddle the adapted region is often exaggerated. For instance, in the tilt aftereffect illusion, adaptation to tilted lines causes subsequently viewed lines with nearby orientations to be perceptually repelled from the adapted orientation. Repulsion illusions in the nonvisual senses have been less studied. Here, we investigated whether adaptation induces a repulsion illusion in tactile spatial perception. In a two-interval forced-choice task, participants compared the perceived separation between two point-stimuli applied on the forearms successively. Separation distance was constant on one arm (the reference and varied on the other arm (the comparison. In Experiment 1, we took three consecutive baseline measurements, verifying that in the absence of manipulation, participants’ distance perception was unbiased across arms and stable across experimental blocks. In Experiment 2, we vibrated a region of skin on the reference arm, verifying that this focally reduced tactile sensitivity, as indicated by elevated monofilament detection thresholds. In Experiment 3, we applied vibration between the two reference points in our distance perception protocol and discovered that this caused an illusory increase in the separation between the points. We conclude that focal adaptation induces a repulsion aftereffect illusion in tactile spatial perception. The illusion provides clues as to how the tactile system represents spatial information. The analogous repulsion aftereffects caused by adaptation in different stimulus domains and sensory systems may point to fundamentally similar strategies for dynamic sensory coding.

Effective electron-electron and electron-phonon interactions in the Hubbard-Holstein model

International Nuclear Information System (INIS)

Aprea, G.; Di Castro, C.; Grilli, M. . E-mail marco.grilli@roma1.infn.it; Lorenzana, J.

2006-01-01

We investigate the interplay between the electron-electron and the electron-phonon interaction in the Hubbard-Holstein model. We implement the flow-equation method to investigate within this model the effect of correlation on the electron-phonon effective coupling and, conversely, the effect of phonons in the effective electron-electron interaction. Using this technique we obtain analytical momentum-dependent expressions for the effective couplings and we study their behavior for different physical regimes. In agreement with other works on this subject, we find that the electron-electron attraction mediated by phonons in the presence of Hubbard repulsion is peaked at low transferred momenta. The role of the characteristic energies involved is also analyzed

Auroral electron energies

International Nuclear Information System (INIS)

McEwan, D.J.; Duncan, C.N.; Montalbetti, R.

1981-01-01

Auroral electron characteristic energies determined from ground-based photometer measurements of the ratio of 5577 A OI and 4278 A N 2 + emissions are compared with electron energies measured during two rocket flights into pulsating aurora. Electron spectra with Maxwellian energy distributions were observed in both flights with an increase in characteristic energy during each pulsation. During the first flight on February 15, 1980 values of E 0 ranging from 1.4 keV at pulsation minima to 1.8 keV at pulsation maxima were inferred from the 5577/4278 ratios, in good agreement with rocket measurements. During the second flight on February 23, direct electron energy measurements yielded E 0 values of 1.8 keV rising to 2.1 keV at pulsation maxima. The photometric ratio measurements in this case gave inferred E 0 values about 0.5 keV lower. This apparent discrepancy is considered due to cloud cover which impaired the absolute emission intensity measurements. It is concluded that the 5577/4278 ratio does yield a meaningful measure of the characteristic energy of incoming electrons. This ratio technique, when added to the more sensitive 6300/4278 ratio technique usable in stable auroras can now provide more complete monitoring of electron influx characteristics. (auth)

Properties and modification of two-dimensional electronic states on noble metals; Eigenschaften und Modifikation zweidimensionaler Elektronenzustaende auf Edelmetallen

Energy Technology Data Exchange (ETDEWEB)

Forster, F.

2007-07-06

In this thesis investigations on two-dimensional electronic structures of (111)-noble metal surfaces and the influence of various adsorbates upon them is presented. It chiefly focuses on the surface-localized Shockley states of Cu, Ag and Au and their band dispersion (binding energy, band mass, and spin-orbit splitting) which turns out to be a sensitive probe for surface modifications induced by adsorption processes. Angular resolved photoelectron spectroscopy enables the observation of even subtle changes in the electronic band structure of these two dimensional systems. Different mechanisms taking place at surfaces and the substrate/adsorbate interfaces influence the Shockley state in a different manner and will be analyzed using suitable adsorbate model systems. The experimental results are matched with appropriate theoretical models like the phase accumulation model and the nearly-free electron model and - if possible - with ab initio calculations based on density functional theory. This allows for the integration of the results into a stringent overall picture. The influence of sub-monolayer adsorption of Na upon the surface state regarding the significant change in surface work function is determined. A systematic study of the physisorption of noble gases shows the effect of the repulsive adsorbate-substrate interaction upon the electrons of the surface state. A step-by-step coverage of the Cu and Au(111) surfaces by monolayers of Ag creates a gradual change in the surface potential and causes the surface state to become increasingly Ag-like. For N=7 ML thick and layer-by-layer growing Ag films on Au(111), new two-dimensional electronic structures can be observed, which are attributed to the quantum well states of the Ag adsorbate. The question whether they are localized within the Ag-layer or substantially within the substrate is resolved by the investigation of their energetic and spatial evolution with increasing Ag-film thicknesses N. For this, beside the

The Two-Beam Free Electron Laser Oscillator

CERN Document Server

Thompson, Neil R

2004-01-01

A one-dimensional model of a free-electron laser operating simultaneously with two electron beams of different energies [1] is extended to an oscillator configuration. The electron beam energies are chosen so that an harmonic of the lower energy beam is at the fundamental radiation wavelength of the higher energy beam. Potential benefits over a single-beam free-electron laser oscillator are discussed.

Repulsive Casimir and Casimir–Polder forces

International Nuclear Information System (INIS)

Milton, Kimball A; Abalo, E K; Parashar, Prachi; Pourtolami, Nima; Brevik, Iver; Ellingsen, Simen Å

2012-01-01

Casimir and Casimir–Polder repulsions have been known for more than 50 years. The general ‘Lifshitz’ configuration of parallel semi-infinite dielectric slabs permits repulsion if they are separated by a dielectric fluid that has a value of permittivity that is intermediate between those of the dielectric slabs. This was indirectly confirmed in the 1970s, and more directly by Capasso’s group recently. It has also been known for many years that electrically and magnetically polarizable bodies can experience a repulsive quantum vacuum force. More amenable to practical application are situations where repulsion could be achieved between ordinary conducting and dielectric bodies in vacuum. The status of the field of Casimir repulsion with emphasis on some recent developments will be surveyed. Here, stress will be placed on analytic developments, especially on Casimir–Polder (CP) interactions between anisotropically polarizable atoms, and CP interactions between anisotropic atoms and bodies that also exhibit anisotropy, either because of anisotropic constituents, or because of geometry. Repulsion occurs for wedge-shaped and cylindrical conductors, provided the geometry is sufficiently asymmetric, that is, either the wedge is sufficiently sharp or the atom is sufficiently far from the cylinder. This article is part of a special issue of Journal of Physics A: Mathematical and Theoretical in honour of Stuart Dowker’s 75th birthday devoted to ‘Applications of zeta functions and other spectral functions in mathematics and physics’. (review)

One-loop quantum gravity repulsion in the early Universe.

Science.gov (United States)

Broda, Bogusław

2011-03-11

Perturbative quantum gravity formalism is applied to compute the lowest order corrections to the classical spatially flat cosmological Friedmann-Lemaître-Robertson-Walker solution (for the radiation). The presented approach is analogous to the approach applied to compute quantum corrections to the Coulomb potential in electrodynamics, or rather to the approach applied to compute quantum corrections to the Schwarzschild solution in gravity. In the framework of the standard perturbative quantum gravity, it is shown that the corrections to the classical deceleration, coming from the one-loop graviton vacuum polarization (self-energy), have (UV cutoff free) opposite to the classical repulsive properties which are not negligible in the very early Universe. The repulsive "quantum forces" resemble those known from loop quantum cosmology.

Control of charged droplets using electrohydrodynamic repulsion for circular droplet patterning

International Nuclear Information System (INIS)

Kim, Bumjoo; Sung, Jungwoo; Lim, Geunbae; Nam, Hyoryung; Kim, Sung Jae; Joo, Sang W

2011-01-01

We report a novel method to form a circular pattern of monodisperse microdroplets using an electrohydrodynamic repulsion (EDR) mechanism. EDR is a phenomenon of electrostatical bounced microdroplets from an accumulated droplet on a bottom substrate. In addition to a regular EDR system, by placing a ring electrode between the capillary and ground substrate, two separate regions were created. A parameter study of two regions was carried out for droplet formation and falling velocity to control the radius of the generated droplets and the circular patterns independently. Based on energy conservation theory, our experimental results showed that the free-falling region exerted crucial influences on the sizes of the circular patterns

Entropic Repulsion Between Fluctuating Surfaces

Science.gov (United States)

Janke, W.

The statistical mechanics of fluctuating surfaces plays an important role in a variety of physical systems, ranging from biological membranes to world sheets of strings in theories of fundamental interactions. In many applications it is a good approximation to assume that the surfaces possess no tension. Their statistical properties are then governed by curvature energies only, which allow for gigantic out-of-plane undulations. These fluctuations are the “entropic” origin of long-range repulsive forces in layered surface systems. Theoretical estimates of these forces for simple model surfaces are surveyed and compared with recent Monte Carlo simulations.

Electron Bifurcation: Thermodynamics and Kinetics of Two-Electron Brokering in Biological Redox Chemistry

Energy Technology Data Exchange (ETDEWEB)

Zhang, Peng; Yuly, Jonathon L.; Lubner, Carolyn E. [National Renewable Energy Laboratory, Golden, Colorado 80401, United States; Mulder, David W. [National Renewable Energy Laboratory, Golden, Colorado 80401, United States; King, Paul W. [National Renewable Energy Laboratory, Golden, Colorado 80401, United States; Peters, John W. [Institute; Beratan, David N. [Department

2017-08-23

How can proteins drive two electrons from a redox active donor onto two acceptors at very different potentials and distances? And how can this transaction be conducted without dissipating very much energy or violating the laws of thermodynamics? Nature appears to have addressed these challenges by coupling thermodynamically uphill and downhill electron transfer reactions, using two-electron donor cofactors that have very different potentials for the removal of the first and second electron. Although electron bifurcation is carried out with near perfection from the standpoint of energy conservation and electron delivery yields, it is a biological energy transduction paradigm that has only come into focus recently. This Account provides an exegesis of the biophysical principles that underpin electron bifurcation.

ATLAS proton-proton event containing two electrons and two muons

CERN Multimedia

ATLAS Collaboration

2011-01-01

An event with two identified muons and two identified electrons from a proton- proton collision in ATLAS. This event is consistent with coming from two Z particles decaying: one Z decays to two muons, the other to two electrons. Such events are produced by Standard Model processes without Higgs particles. They are also a possible signature for Higgs particle production, but many events must be analysed together in order to tell if there is a Higgs signal. The two muons are picked out as red tracks penetrating right through the detector. The two electrons are picked out as green tracks in the central, inner detector, matching narrow green clusters of energy in the barrel part of the calorimeters. The inset at the bottom right shows a map of the energy seen in the detector: the two big yellow spikes correspond to the two electrons.

The Role of Repulsion in Colloidal Crystal Engineering with DNA

Energy Technology Data Exchange (ETDEWEB)

Seo, Soyoung E. [Department; Li, Tao [X-ray; Senesi, Andrew J. [X-ray; Mirkin, Chad A. [Department; Lee, Byeongdu [X-ray

2017-11-07

Hybridization interactions between DNA-functionalized nanoparticles (DNA-NPs) can be used to program the crystallization behavior of superlattices, yielding access to complex three-dimensional structures with more than 30 different lattice symmetries. The first superlattice structures using DNA-NPs as building blocks were identified almost two decades ago, yet the role of repulsive interactions in guiding structure formation is still largely unexplored. Here, a com-prehensive approach is taken to study the role of repulsion in the assembly behavior of DNA-NPs, enabling the calculation of interparticle interaction potentials based on experimental results. In this work, we used two different means to assemble DNA-NPs—Watson-Crick base pairing interactions and depletion interactions—and systematically varied the salt concen-tration to study the effective interactions in DNA-NP superlattices. A comparison between the two systems allows us to decouple the repulsive forces from the attractive hybridization interactions that are sensitive to the ionic environment. We find that the gap distance between adjacent DNA-NPs follows a simple power law dependence on solution ionic strength regardless of the type of attractive forces present. This result suggests that the observed trend is driven by repulsive inter-actions. To better understand such behavior, we propose a mean-field model that provides a mathematical description for the observed trend. This model shows that the trend is due to the variation in the effective cross-sectional diameter of DNA duplex and the thickness of DNA shell.

The total Hartree-Fock energy-eigenvalue sum relationship in atoms

International Nuclear Information System (INIS)

Sen, K.D.

1979-01-01

Using the well known relationships for the isoelectronic changes in the total Hartree-Fock energy, nucleus-electron attraction energy and electron-electron repulsion energy in atoms a simple polynomial expansion in Z is obtained for the sum of the eigenvalues which can be used to calculate the total Hartree-Fock energy. Numerical results are presented for 2-10 electron series to show that the present relationship is a better approximation than the other available energy-eigenvalue relationships. (author)

On the hydrodynamics of a solvent-saturated lipid bilayer. 1. Model of repulsion

International Nuclear Information System (INIS)

Bish, P.M.; Wendel, H.

1983-01-01

A semiphenomenological theory of steric repulsion in black lipid films is developed. The model employs the statistical mechanical formulation of the van der Waals theory of simple liquid-vapour interfaces; it is based on the picture that upon diminishing the film thickness the adjacent interfacial layers start overlapping in the film center raising the degree of orientation of the hydrocarbon segments present there. This fact causes a mutual repulsion of the two film surfaces. The general order parameter profile is found to depend on two parameters which are fixed by means of the results of an experiment which recorded the repulsive force as a function of film thickness. (Author) [pt

Energy transfer between two vacuum-gapped metal plates: Coulomb fluctuations and electron tunneling

Science.gov (United States)

Zhang, Zu-Quan; Lü, Jing-Tao; Wang, Jian-Sheng

2018-05-01

Recent experimental measurements for near-field radiative heat transfer between two bodies have been able to approach the gap distance within 2 nm , where the contributions of Coulomb fluctuation and electron tunneling are comparable. Using the nonequilibrium Green's function method in the G0W0 approximation, based on a tight-binding model, we obtain for the energy current a Caroli formula from the Meir-Wingreen formula in the local equilibrium approximation. Also, the Caroli formula is consistent with the evanescent part of the heat transfer from the theory of fluctuational electrodynamics. We go beyond the local equilibrium approximation to study the energy transfer in the crossover region from electron tunneling to Coulomb fluctuation based on a numerical calculation.

Energy loss and thermalization of low-energy electrons

International Nuclear Information System (INIS)

LaVerne, J.A.; Mozumder, A.; Notre Dame Univ., IN

1984-01-01

Various processes involved in the moderation of low-energy electrons (< 10 keV in energy) have been delineated in gaseous and liquid media. The discussion proceeds in two stages. The first stage ends and the second stage begins when the electron energy equals the first excitation potential of the medium. The second stage ends with thermalization. Cross sections for electronic excitation and for the excitation (and de-excitation) of sub-electronic processes have been evaluated and incorporated in suitable stopping power and transport theories. Comparison between experiment and theory and intercomparisons between theories and experiments have been provided where possible. (author)

Optical absorptions of an exciton in a quantum ring: Effect of the repulsive core

International Nuclear Information System (INIS)

Xie, Wenfang

2013-01-01

We study the optical absorptions of an exciton in a quantum ring. The quantum ring is described as a circular quantum dot with a repulsive core. The advantage of our methodology is that one can investigate the influence of the repulsive core by varying two parameters in the confinement potential. The linear, third-order nonlinear and total optical absorption coefficients have been examined with the change of the confinement potential. The results show that the optical absorptions are strongly affected by the repulsive core. Moreover, the repulsive core can influence the oscillation in the resonant peak of the absorption coefficients.

Exact correlated kinetic energy related to the electron density for two-electron model atoms with harmonic confinement

International Nuclear Information System (INIS)

March, Norman H.; Akbari, Ali; Rubio, Angel

2007-01-01

For arbitrary interparticle interaction u(r 12 ), the model two-electron atom in the title is shown to be such that the ground-state electron density ρ(r) is determined uniquely by the correlated kinetic energy density t R (r) of the relative motion. Explicit results for t R (r) are presented for the Hookean atom with force constant k=1/4, and also for u(r 12 )=(λ)/(r 12 2 ) . Possible relevance of the Hookean atom treatment to the ground state of the helium atom itself is briefly discussed

Hartree-Fock implementation using a Laguerre-based wave function for the ground state and correlation energies of two-electron atoms.

Science.gov (United States)

King, Andrew W; Baskerville, Adam L; Cox, Hazel

2018-03-13

An implementation of the Hartree-Fock (HF) method using a Laguerre-based wave function is described and used to accurately study the ground state of two-electron atoms in the fixed nucleus approximation, and by comparison with fully correlated (FC) energies, used to determine accurate electron correlation energies. A variational parameter A is included in the wave function and is shown to rapidly increase the convergence of the energy. The one-electron integrals are solved by series solution and an analytical form is found for the two-electron integrals. This methodology is used to produce accurate wave functions, energies and expectation values for the helium isoelectronic sequence, including at low nuclear charge just prior to electron detachment. Additionally, the critical nuclear charge for binding two electrons within the HF approach is calculated and determined to be Z HF C =1.031 177 528.This article is part of the theme issue 'Modern theoretical chemistry'. © 2018 The Author(s).

Emergence of amplitude death scenario in a network of oscillators under repulsive delay interaction

Energy Technology Data Exchange (ETDEWEB)

Bera, Bidesh K., E-mail: bideshbera18@gmail.com [Physics and Applied Mathematics Unit, Indian Statistical Institute, Kolkata 700108 (India); Hens, Chittaranjan, E-mail: chittaranjanhens@gmail.com [Department of Mathematics, Bar-Ilan University, Ramat Gan 52900 (Israel); Ghosh, Dibakar, E-mail: dibakar@isical.ac.in [Physics and Applied Mathematics Unit, Indian Statistical Institute, Kolkata 700108 (India)

2016-07-15

Highlights: • Amplitude death is observed using repulsive mean coupling. • Analytical conditions for amplitude death are derived. • Effect of asymmetry time delay coupling for death is discussed. - Abstract: We report the existence of amplitude death in a network of identical oscillators under repulsive mean coupling. Amplitude death appears in a globally coupled network of identical oscillators with instantaneous repulsive mean coupling only when the number of oscillators is more than two. We further investigate that, amplitude death may emerge even in two coupled oscillators as well as network of oscillators if we introduce delay time in the repulsive mean coupling. We have analytically derived the region of amplitude death island and find out how strength of delay controls the death regime in two coupled or a large network of coupled oscillators. We have verified our results on network of delayed Mackey–Glass systems where parameters are set in hyperchaotic regime. We have also tested our coupling approach in two paradigmatic limit cycle oscillators: Stuart–Landau and Van der Pol oscillators.

Emergence of amplitude death scenario in a network of oscillators under repulsive delay interaction

International Nuclear Information System (INIS)

Bera, Bidesh K.; Hens, Chittaranjan; Ghosh, Dibakar

2016-01-01

Highlights: • Amplitude death is observed using repulsive mean coupling. • Analytical conditions for amplitude death are derived. • Effect of asymmetry time delay coupling for death is discussed. - Abstract: We report the existence of amplitude death in a network of identical oscillators under repulsive mean coupling. Amplitude death appears in a globally coupled network of identical oscillators with instantaneous repulsive mean coupling only when the number of oscillators is more than two. We further investigate that, amplitude death may emerge even in two coupled oscillators as well as network of oscillators if we introduce delay time in the repulsive mean coupling. We have analytically derived the region of amplitude death island and find out how strength of delay controls the death regime in two coupled or a large network of coupled oscillators. We have verified our results on network of delayed Mackey–Glass systems where parameters are set in hyperchaotic regime. We have also tested our coupling approach in two paradigmatic limit cycle oscillators: Stuart–Landau and Van der Pol oscillators.

Two-dimensional assemblies of soft repulsive colloids confined at fluid interfaces

Science.gov (United States)

Isa, L.; Buttinoni, I.; Fernandez-Rodriguez, M. A.; Vasudevan, S. A.

2017-07-01

Colloidal systems are an excellent example of a materials class for which interrogating fundamental questions leads to answers of direct applied relevance. In our group, we in particular focus on two-dimensional assemblies of micro- and nano-particles confined at the interface between two fluids, e.g., oil-water. Here, we review our work on systems interacting through soft repulsive forces of different origin, i.e., electrostatic and steric. By starting from the paradigmatic case of charged colloids at an interface, we show how they are both offering great opportunities as model systems to investigate the structural and mechanical response of materials and as versatile patterning tools for surface nanostructuring. We then move to the case of deformable particles interacting via steric contacts. We first examine microgel particles, which we also demonstrate as very promising models for structural investigations and robust elements for tunable nanolithography. We conclude by briefly discussing the case of particles comprising a hard inorganic core and a deformable polymer shell, which maintain some of the advantageous features of microgel particles, but also enable the realization of two-dimensional functional materials. This article offers our perspective on a very active field of research, where many interesting developments are expected in the near future. Contribution to the Focus Issue Self-assemblies of Inorganic and Organic Nanomaterials edited by Marie-Paule Pileni.

Small traveling clusters in attractive and repulsive Hamiltonian mean-field models.

Science.gov (United States)

Barré, Julien; Yamaguchi, Yoshiyuki Y

2009-03-01

Long-lasting small traveling clusters are studied in the Hamiltonian mean-field model by comparing between attractive and repulsive interactions. Nonlinear Landau damping theory predicts that a Gaussian momentum distribution on a spatially homogeneous background permits the existence of traveling clusters in the repulsive case, as in plasma systems, but not in the attractive case. Nevertheless, extending the analysis to a two-parameter family of momentum distributions of Fermi-Dirac type, we theoretically predict the existence of traveling clusters in the attractive case; these findings are confirmed by direct N -body numerical simulations. The parameter region with the traveling clusters is much reduced in the attractive case with respect to the repulsive case.

Slow relaxation mode in concentrated oil-in-water microemulsions consisting of repulsive droplets

Science.gov (United States)

Hattori, Y.; Ushiki, H.; Courbin, L.; Panizza, P.

2007-02-01

The present contribution reports on the observation of two diffusive relaxation modes in a concentrated microemulsion made of repulsive droplets. These two modes can be interpreted in the frame of Weissman’s and Pusey’s theoretical pioneering works. The fast mode is associated to the collective diffusion of droplets whereas the slow one corresponds to the relaxation of droplet concentration fluctuations associated with composition and/or size. We show that (i) repulsive interactions considerably slow down the latter and (ii) a generalized Stokes Einstein relationship between its coefficient of diffusion and the Newtonian viscosity of the solutions, similar to the Walden’s rule for electrolytes, holds for concentrated microemulsion systems made of repulsive droplets.

S-wave π-nucleus repulsion and dirac phenomenology

International Nuclear Information System (INIS)

Chakravarti, S.; Jennings, B.K.

1993-12-01

A relativistic π-nucleon potential is extended to m* ≠ m to investigate the possibility of generating s-wave π-nucleus repulsion. We find that relativity does indeed generate significant repulsion, the exact amount depending on the details of the calculation. In contradistinction the tp approximation gives very little repulsion. (author). 18 refs., 3 tabs., 2 figs

Electron Bifurcation: Thermodynamics and Kinetics of Two-Electron Brokering in Biological Redox Chemistry.

Science.gov (United States)

Zhang, Peng; Yuly, Jonathon L; Lubner, Carolyn E; Mulder, David W; King, Paul W; Peters, John W; Beratan, David N

2017-09-19

How can proteins drive two electrons from a redox active donor onto two acceptors at very different potentials and distances? And how can this transaction be conducted without dissipating very much energy or violating the laws of thermodynamics? Nature appears to have addressed these challenges by coupling thermodynamically uphill and downhill electron transfer reactions, using two-electron donor cofactors that have very different potentials for the removal of the first and second electron. Although electron bifurcation is carried out with near perfection from the standpoint of energy conservation and electron delivery yields, it is a biological energy transduction paradigm that has only come into focus recently. This Account provides an exegesis of the biophysical principles that underpin electron bifurcation. Remarkably, bifurcating electron transfer (ET) proteins typically send one electron uphill and one electron downhill by similar energies, such that the overall reaction is spontaneous, but not profligate. Electron bifurcation in the NADH-dependent reduced ferredoxin: NADP + oxidoreductase I (Nfn) is explored in detail here. Recent experimental progress in understanding the structure and function of Nfn allows us to dissect its workings in the framework of modern ET theory. The first electron that leaves the two-electron donor flavin (L-FAD) executes a positive free energy "uphill" reaction, and the departure of this electron switches on a second thermodynamically spontaneous ET reaction from the flavin along a second pathway that moves electrons in the opposite direction and at a very different potential. The singly reduced ET products formed from the bifurcating flavin are more than two nanometers distant from each other. In Nfn, the second electron to leave the flavin is much more reducing than the first: the potentials are said to be "crossed." The eventually reduced cofactors, NADH and ferredoxin in the case of Nfn, perform crucial downstream redox

Geometric constructions for repulsive gravity and quantization

International Nuclear Information System (INIS)

Hohmann, Manuel

2010-11-01

In this thesis we present two geometric theories designed to extend general relativity. It can be seen as one of the aims of such theories to model the observed accelerating expansion of the universe as a gravitational phenomenon, or to provide a mathematical structure for the formulation of quantum field theories on curved spacetimes and quantum gravity. This thesis splits into two parts: In the first part we consider multimetric gravity theories containing N>1 standard model copies which interact only gravitationally and repel each other in the Newtonian limit. The dynamics of each of the standard model copies is governed by its own metric tensor. We show that the antisymmetric case, in which the mutual repulsion between the different matter sectors is of equal strength compared to the attractive gravitational force within each sector, is prohibited by a no-go theorem for N=2. We further show that this theorem does not hold for N>2 by explicitly constructing an antisymmetric multimetric repulsive gravity theory. We then examine several properties of this theory. Most notably, we derive a simple cosmological model and show that the accelerating expansion of the late universe can indeed be explained by the mutual repulsion between the different matter sectors. We further present a simple model for structure formation and show that our model leads to the formation of filament-like structures and voids. Finally, we show that multimetric repulsive gravity is compatible with high-precision solar system data using the parametrized post-Newtonian formalism. In the second part of the thesis we propose a mathematical model of quantum spacetime as an infinite-dimensional manifold locally homeomorphic to an appropriate Schwartz space. This extends and unifies both the standard function space construction of quantum mechanics and the differentiable manifold structure of classical spacetime. In this picture we demonstrate that classical spacetime emerges as a finite

Geometric constructions for repulsive gravity and quantization

Energy Technology Data Exchange (ETDEWEB)

Hohmann, Manuel

2010-11-15

In this thesis we present two geometric theories designed to extend general relativity. It can be seen as one of the aims of such theories to model the observed accelerating expansion of the universe as a gravitational phenomenon, or to provide a mathematical structure for the formulation of quantum field theories on curved spacetimes and quantum gravity. This thesis splits into two parts: In the first part we consider multimetric gravity theories containing N>1 standard model copies which interact only gravitationally and repel each other in the Newtonian limit. The dynamics of each of the standard model copies is governed by its own metric tensor. We show that the antisymmetric case, in which the mutual repulsion between the different matter sectors is of equal strength compared to the attractive gravitational force within each sector, is prohibited by a no-go theorem for N=2. We further show that this theorem does not hold for N>2 by explicitly constructing an antisymmetric multimetric repulsive gravity theory. We then examine several properties of this theory. Most notably, we derive a simple cosmological model and show that the accelerating expansion of the late universe can indeed be explained by the mutual repulsion between the different matter sectors. We further present a simple model for structure formation and show that our model leads to the formation of filament-like structures and voids. Finally, we show that multimetric repulsive gravity is compatible with high-precision solar system data using the parametrized post-Newtonian formalism. In the second part of the thesis we propose a mathematical model of quantum spacetime as an infinite-dimensional manifold locally homeomorphic to an appropriate Schwartz space. This extends and unifies both the standard function space construction of quantum mechanics and the differentiable manifold structure of classical spacetime. In this picture we demonstrate that classical spacetime emerges as a finite

Religion, Repulsion, and Reaction Formation: Transforming Repellent Attractions and Repulsions.

Science.gov (United States)

Cohen, Dov; Kim, Emily; Hudson, Nathan W

2017-06-12

Protestants were more likely than non-Protestants to demonstrate phenomena consistent with the use of reaction formation. Lab experiments showed that when manipulations were designed to produce taboo attractions (to unconventional sexual practices), Protestants instead showed greater repulsion. When implicitly conditioned to produce taboo repulsions (to African Americans), Protestants instead showed greater attraction. Supportive evidence from other studies came from clinicians' judgments, defense mechanism inventories, and a survey of respondent attitudes. Other work showed that Protestants who diminished and displaced threatening affect were more likely to sublimate this affect into creative activities; the present work showed that Protestants who do not or cannot diminish or displace such threatening affect instead reverse it. Traditional individual difference variables showed little ability to predict reaction formation, suggesting that the observed processes go beyond what we normally study when we talk about self-control. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Small-Angle Neutron Scattering Study of Interplay of Attractive and Repulsive Interactions in Nanoparticle-Polymer System.

Science.gov (United States)

Kumar, Sugam; Aswal, Vinod K; Kohlbrecher, Joachim

2016-02-16

The phase behavior of nanoparticle (silica)-polymer (polyethylene glycol) system without and with an electrolyte (NaCl) has been studied. It is observed that nanoparticle-polymer system behaves very differently in the presence of electrolyte. In the absence of electrolyte, the nanoparticle-polymer system remains in one-phase even at very high polymer concentrations. On the other hand, a re-entrant phase behavior is found in the presence of electrolyte, where one-phase (individual) system undergoes two-phase (nanoparticle aggregation) and then back to one-phase with increasing polymer concentration. The regime of two-phase system has been tuned by varying the electrolyte concentration. The polymer concentration range over which the two-phase system exists is significantly enhanced with the increase in the electrolyte concentration. These systems have been characterized by small-angle neutron scattering (SANS) experiments of contrast-marching the polymer to the solvent. The data are modeled using a two-Yukawa potential accounting for both attractive and repulsive parts of the interaction between nanoparticles. The phase behavior of nanoparticle-polymer system is explained by interplay of attractive (polymer-induced attractive depletion between nanoparticles) and repulsive (nanoparticle-nanoparticle electrostatic repulsion and polymer-polymer repulsion) interactions present in the system. In the absence of electrolyte, the strong electrostatic repulsion between nanoparticles dominates over the polymer-induced depletion attraction and the nanoparticle system remains in one-phase. With addition of electrolyte, depletion attraction overcomes electrostatic repulsion at some polymer concentration, resulting into nanoparticle aggregation and two-phase system. Further addition of polymer increases the polymer-polymer repulsion which eventually reduces the strength of depletion and hence re-entrant phase behavior. The effects of varying electrolyte concentration on the phase

Metastability and coherence of repulsive polarons in a strongly interacting Fermi mixture

DEFF Research Database (Denmark)

Kohstall, Cristoph; Zaccanti, Mattheo; Jag, Matthias

2012-01-01

show that a well-defined quasiparticle exists for strongly repulsive interactions. We measure the energy and the lifetime of this ‘repulsive polaron’9, 12, 13, and probe its coherence properties by measuring the quasiparticle residue. The results are well described by a theoretical approach that takes...... into account the finite effective range of the interaction in our system. We find that when the effective range is of the order of the interparticle spacing, there is a substantial increase in the lifetime of the quasiparticles. The existence of such a long-lived, metastable many-body state offers intriguing...

Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models

DEFF Research Database (Denmark)

Curutchet, Carles; Cupellini, Lorenzo; Kongsted, Jacob

2018-01-01

embedding approaches, respectively, nonelectrostatic dispersion and repulsion interactions are instead commonly described through classical potentials despite their quantum mechanical origin. Here we present an extension of the Tkatchenko-Scheffler semiempirical van der Waals (vdWTS) scheme aimed......Mixed multiscale quantum/molecular mechanics (QM/MM) models are widely used to explore the structure, reactivity, and electronic properties of complex chemical systems. Whereas such models typically include electrostatics and potentially polarization in so-called electrostatic and polarizable...... at describing dispersion and repulsion interactions between quantum and classical regions within a QM/MM polarizable embedding framework. Starting from the vdWTSexpression, we define a dispersion and a repulsion term, both of them density-dependent and consistently based on a Lennard-Jones-like potential. We...

Probing potential energy curves of C2- by translational energy spectrometry

International Nuclear Information System (INIS)

Gupta, A.K.; Aravind, G.; Krishnamurthy, M.

2004-01-01

We present studies on collision induced dissociation of C 2 - with Ar at an impact energy of 15 keV. The C - fragment ion kinetic-energy release (KER) distribution is measured and is used to compute the KER in the center of mass (c.m.) frame (KER c.m. ). We employ the reflection method to deduce an effective repulsive potential-energy curve for the molecular anion that is otherwise difficult to evaluate from quantum computational methods. The nuclear wave packet of the molecular ion in the initial ground state is computed by the semiclassical WKB method using the potential-energy curve of the 2 Σ g + ground electronic state calculated by an ab initio quantum computation method. The ground-state nuclear wave packet is reflected on a parametrized repulsive potential-energy curve where the parameters are determined by fitting the measured KER c.m. with the calculated KER distribution

Electronic zero-point oscillations in the strong-interaction limit of density functional theory

NARCIS (Netherlands)

Gori Giorgi, P.; Vignale, G.; Seidl, M.

2009-01-01

The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in terms of the change in the expectation of the electron-electron repulsion operator when, in the many-electron Hamiltonian, this same operator is multiplied by a real parameter λ varying between 0

Melting-curve extrema from a repulsive ''step'' potential

International Nuclear Information System (INIS)

Young, D.A.; Alder, B.J.

1977-01-01

Molecular dynamics calculations in two dimensions for particles interacting with a repulsive ''step'' potential show melting-curve maxima and minima as well as solid-solid phase transitions. These features are similar to those observed in the phase diagram of cesium and cerium

Two-electron germanium centers with a negative correlation energy in lead chalcogenides

International Nuclear Information System (INIS)

Terukov, E. I.; Marchenko, A. V.; Zaitseva, A. V.; Seregin, P. P.

2007-01-01

It is shown that the charge state of the 73 Ge antisite defect that arises in anionic sublattices of PbS, PbSe, and PbTe after radioactive transformation of 73 As does not depend on the position of the Fermi level, whereas the 73 Ge center in cationic sublattices of PbS and PbSe represents a two-electron donor with the negative correlation energy: the Moessbauer spectrum for the n-type samples corresponds to the neutral state of the donor center (Ge 2+ ), while this spectrum corresponds to the doubly ionized state (Ge 4+ ) of the center in the p-type samples. In partially compensated PbSe samples, a fast electron exchange between the neutral and ionized donor centers is realized. It is shown by the method of Moessbauer spectroscopy for the 119 Sn isotope that the germanium-related energy levels are located higher than the levels formed in the band gap of these semiconductors by the impurity tin atoms

Absolute total and one and two electron transfer cross sections for Ar8+ on Ar as a function of energy

International Nuclear Information System (INIS)

Vancura, J.; Kostroun, V.O.

1992-01-01

The absolute total and one and two electron transfer cross sections for Ar 8+ on Ar were measured as a function of projectile laboratory energy from 0.090 to 0.550 keV/amu. The effective one electron transfer cross section dominates above 0.32 keV/amu, while below this energy, the effective two electron transfer starts to become appreciable. The total cross section varies by a factor over the energy range explored. The overall error in the cross section measurement is estimated to be ± 15%

Repulsive effects of hydrophobic diamond thin films on biomolecule detection

Energy Technology Data Exchange (ETDEWEB)

Ruslinda, A. Rahim, E-mail: ruslindarahim@gmail.com [Institute of Nano Electronic Engineering, Universiti Malaysia Perlis, Jln Kgr-Alor Setar, Seriab, 01000 Kangar, Perlis (Malaysia); Department of Nano Science and Nano Engineering, School of Advance Science and Engineering, Ohkubo 3-4-1, Shinjuku, 169-8555 Tokyo (Japan); Ishiyama, Y. [Department of Nano Science and Nano Engineering, School of Advance Science and Engineering, Ohkubo 3-4-1, Shinjuku, 169-8555 Tokyo (Japan); Penmatsa, V. [Department of Mechanical and Materials Engineering, Florida International University, 10555 West Flagler Street, Miami, FL 33174 (United States); Ibori, S.; Kawarada, H. [Department of Nano Science and Nano Engineering, School of Advance Science and Engineering, Ohkubo 3-4-1, Shinjuku, 169-8555 Tokyo (Japan)

2015-02-15

Highlights: • We report the effect of fluorine plasma treatment on diamond thin film to resist the nonspecific adsorption of biomolecules. • The diamond thin film were highly hydrophobic with a surface energy value of ∼25 mN/m. • The repulsive effect shows excellent binding efficiency for both DNA and HIV-1 Tat protein. - Abstract: The repulsive effect of hydrophobic diamond thin film on biomolecule detection, such as single-nucleotide polymorphisms and human immunodeficiency virus type 1 trans-activator of transcription peptide protein detection, was investigated using a mixture of a fluorine-, amine-, and hydrogen-terminated diamond surfaces. These chemical modifications lead to the formation of a surface that effectively resists the nonspecific adsorption of proteins and other biomolecules. The effect of fluorine plasma treatment on elemental composition was also investigated via X-ray photoelectron spectroscopy (XPS). XPS results revealed a fluorocarbon layer on the diamond thin films. The contact angle measurement results indicated that the fluorine-treated diamond thin films were highly hydrophobic with a surface energy value of ∼25 mN/m.

Repulsive effects of hydrophobic diamond thin films on biomolecule detection

International Nuclear Information System (INIS)

Ruslinda, A. Rahim; Ishiyama, Y.; Penmatsa, V.; Ibori, S.; Kawarada, H.

2015-01-01

Highlights: • We report the effect of fluorine plasma treatment on diamond thin film to resist the nonspecific adsorption of biomolecules. • The diamond thin film were highly hydrophobic with a surface energy value of ∼25 mN/m. • The repulsive effect shows excellent binding efficiency for both DNA and HIV-1 Tat protein. - Abstract: The repulsive effect of hydrophobic diamond thin film on biomolecule detection, such as single-nucleotide polymorphisms and human immunodeficiency virus type 1 trans-activator of transcription peptide protein detection, was investigated using a mixture of a fluorine-, amine-, and hydrogen-terminated diamond surfaces. These chemical modifications lead to the formation of a surface that effectively resists the nonspecific adsorption of proteins and other biomolecules. The effect of fluorine plasma treatment on elemental composition was also investigated via X-ray photoelectron spectroscopy (XPS). XPS results revealed a fluorocarbon layer on the diamond thin films. The contact angle measurement results indicated that the fluorine-treated diamond thin films were highly hydrophobic with a surface energy value of ∼25 mN/m

Salt-Dependent DNA-DNA Spacings in Intact Bacteriophage lambda Reflect Relative Importance of DNA Self-Repulsion and Bending Energies

Energy Technology Data Exchange (ETDEWEB)

X Qiu; D Rau; V Parsegian; L Fang; C Knobler; W Gelbart

2011-12-31

Using solution synchrotron x-ray scattering, we measure the variation of DNA-DNA d spacings in bacteriophage {lambda} with mono-, di-, and polyvalent salt concentrations, for wild-type [48.5 x 10{sup 3} base pairs (bp)] and short-genome-mutant (37.8 kbp) strains. From the decrease in d spacings with increasing salt, we deduce the relative contributions of DNA self-repulsion and bending to the energetics of packaged phage genomes. We quantify the DNA-DNA interaction energies within the intact phage by combining the measured d spacings in the capsid with measurements of osmotic pressure in DNA assemblies under the same salt conditions in bulk solution. In the commonly used Tris-Mg buffer, the DNA-DNA interaction energies inside the phage capsids are shown to be about 1 kT/bp, an order of magnitude larger than the bending energies.

Energy spectrum of two-dimensional tight-binding electrons in a spatially varying magnetic field

International Nuclear Information System (INIS)

Oh, G.Y.; Lee, M.H.

1996-01-01

The electronic energy spectrum of a two-dimensional lattice in a spatially varying magnetic field is studied within the framework of the tight-binding model by using the scheme of the transfer matrix. It is found that, in comparison with the case of a uniform magnetic field, the energy spectrum exhibits more complicated behavior; band broadening (or gap closing) and band splitting (or gap opening) occur depending on characteristic parameters of the lattice. The origin of these phenomena lies in the existence of direct touching and indirect overlapping between neighboring subbands. Dependence of direct touching and indirect overlapping, and thus the electronic band structure together with the density of states, on characteristic parameters of the lattice is elucidated in detail. copyright 1996 The American Physical Society

Is repulsion good for the health of chimeras?

Science.gov (United States)

Jalan, Sarika; Ghosh, Saptarshi; Patra, Bibhabasu

2017-10-01

Yes! Very much so. A chimera state refers to the coexistence of a coherent-incoherent dynamical evolution of identically coupled oscillators. We investigate the impact of multiplexing of a layer having repulsively coupled oscillators on the occurrence of chimeras in the layer having attractively coupled identical oscillators. We report that there exists an enhancement in the appearance of the chimera state in one layer of the multiplex network in the presence of repulsive coupling in the other layer. Furthermore, we show that a small amount of inhibition or repulsive coupling in one layer is sufficient to yield the chimera state in another layer by destroying its synchronized behavior. These results can be used to obtain insight into dynamical behaviors of those systems where both attractive and repulsive couplings exist among their constituents.

The Discovery of Gravitational Repulsion by Johannes Droste

Science.gov (United States)

McGruder, Charles Hosewell; VanDerMeer, B. Wieb

2018-01-01

In 1687 Newton published his universal law of gravitation, which states that the gravitational force is always attractive. This law is based on our terrestrial experience with slowly moving bodies (v Einstein completed his theory of general relativity (also referred to as Einstein’s Theory of Gravitation), which is valid not just for slowly moving bodies but also for those with relativistic velocities. In 1916 Johannes Droste submitted a PhD thesis on general relativity to his advisor, H.A. Lorentz. In it he calculated the motion of a particle in what he called a “single center” and today we call the Schwarzschild field and found that highly relativistic particles experience gravitational repulsion. Thus, his thesis written in Dutch and never before translated contains the discovery of gravitational repulsion. Because of its historical importance we translate the entire section of his thesis containing the discovery of gravitational repulsion. We also translate his thesis in the hope of clearing up a major historical misconception. Namely, that David Hilbert in 1917 discovered gravitational repulsion. In fact, Hilbert rediscovered it, apparently completely independent of Droste’s work. Finally we note that one of the biggest mysteries of astrophysics is the question of how highly energetic particles in relativistic jets and cosmic rays are accelerated. It has been suggested that gravitational repulsion is the mechanism responsible for these phenomena. An historical understanding of gravitational repulsion is therefore pertinent.

Stark shifting two-electron quantum dot

International Nuclear Information System (INIS)

Dineykhan, M.; Zhaugasheva, S.A.; Duysebaeva, K.S.

2003-01-01

Advances in modern technology make it possible to create semiconducting nano-structures (quantum dot) in which a finite number of electrons are 'captured' in a bounded volume. A quantum dot is associated with a quantum well formed at the interface, between two finite-size semiconductors owing to different positions of the forbidden gaps on the energy scale in these semiconductors. The possibility of monitoring and controlling the properties of quantum dots attracts considerable attention to these objects, as a new elemental basis for future generations of computers. The quantum-mechanical effects and image potential play a significant role in the description of the formation mechanism quantum dot, and determined the confinement potential in a two-electron quantum dot only for the spherical symmetric case. In the present talk, we considered the formation dynamics of two-electron quantum dot with violation of spherical symmetry. So, we have standard Stark potential. The energy spectrum two-electron quantum dot were calculated. Usually Stark interactions determined the tunneling phenomena between quantum dots

Energy dependent charge spread function in a dedicated synchrotron beam pnCCD detector

International Nuclear Information System (INIS)

Yousef, Hazem

2011-01-01

A scan on the pixel edges is the method which is used to resolve the electron cloud size in the pixel array of the pnCCD detector. The EDR synchrotron radiation in BESSY is the source of the X-ray photons which are used in the scans. The radius of the electron cloud as a function of the impinging photon energy is analyzed. The angle of incidence of the X-ray beam is employed in the measurements. The measurements are validated by the numerical simulation models. The inclined X-ray track leads to distribute the electron clouds in a certain number of pixels according to the incident angle of the X-ray beam. The pixels detect different electron clouds according to their generation position in the detector bulk. A collimated X-ray beam of 12.14 keV is used in the measurements with 30 and 40 entrance angles. It is shown that the two factors that leads to expand the electron clouds namely the diffusion and the mutual electrostatic repulsion can be separated from the measured electron clouds. It is noticed as well that the influence of the mutual electrostatic repulsion dominates the cloud expansion over the diffusion process in the collection time of the detector. The perpendicular X-ray track leads to determine the average radius of the electron cloud per photon energy. The results show that the size of the electron clouds (RMS) in the energy range of [5.0-21.6] keV is smaller than the pixel size. (orig.)

Energy dependent charge spread function in a dedicated synchrotron beam pnCCD detector

Energy Technology Data Exchange (ETDEWEB)

Yousef, Hazem

2011-05-20

A scan on the pixel edges is the method which is used to resolve the electron cloud size in the pixel array of the pnCCD detector. The EDR synchrotron radiation in BESSY is the source of the X-ray photons which are used in the scans. The radius of the electron cloud as a function of the impinging photon energy is analyzed. The angle of incidence of the X-ray beam is employed in the measurements. The measurements are validated by the numerical simulation models. The inclined X-ray track leads to distribute the electron clouds in a certain number of pixels according to the incident angle of the X-ray beam. The pixels detect different electron clouds according to their generation position in the detector bulk. A collimated X-ray beam of 12.14 keV is used in the measurements with 30 and 40 entrance angles. It is shown that the two factors that leads to expand the electron clouds namely the diffusion and the mutual electrostatic repulsion can be separated from the measured electron clouds. It is noticed as well that the influence of the mutual electrostatic repulsion dominates the cloud expansion over the diffusion process in the collection time of the detector. The perpendicular X-ray track leads to determine the average radius of the electron cloud per photon energy. The results show that the size of the electron clouds (RMS) in the energy range of [5.0-21.6] keV is smaller than the pixel size. (orig.)

Direct measurement of two-electron contributions to the ground state energy of heliumlike high-Z ions

International Nuclear Information System (INIS)

Stoehlker, T.; Elliott, S.R.; Marrs, R.E.

1995-09-01

We report on a novel technique which exploits Radiative Recombination transitions for a direct experimental determination of the two-electron contributions to the ground state energy in heliumlike high-Z ions. Results are presented of a first experiment which was conducted at an electron beam ion trap for various elements ranging from Z=32 to 83. The comparison with theoretical predictions demonstrates that the achieved precision already provides a sensitive test of second order manybody contributions and approaches the size of the two-electron (screened) Lamb shift. The ptoential of the new technique will be outlined and the capability of the ESR storage ring for future investigations will be emphasized. (orig.)

Repulsive polarons and itinerant ferromagnetism in strongly polarized Fermi gases

DEFF Research Database (Denmark)

Massignan, Pietro; Bruun, Georg

2011-01-01

We analyze the properties of a single impurity immersed in a Fermi sea. At positive energy and scattering lengths, we show that the system possesses a well-defined but metastable excitation, the repulsive polaron, and we calculate its energy, quasiparticle residue and effective mass. From...... polarized (ferromagnetic) domains are then examined for a binary mixture of atoms with a general mass ratio. Our results indicate that mass imbalance lowers the critical interaction strength for phase-separation, but that very short quasiparticle decay times will complicate the experimental observation...

Two-Dimensional Free Energy Surfaces for Electron Transfer Reactions in Solution

Directory of Open Access Journals (Sweden)

Shigeo Murata

2008-01-01

Full Text Available Change in intermolecular distance between electron donor (D and acceptor (A can induce intermolecular electron transfer (ET even in nonpolar solvent, where solvent orientational polarization is absent. This was shown by making simple calculations of the energies of the initial and final states of ET. In the case of polar solvent, the free energies are functions of both D-A distance and solvent orientational polarization. On the basis of 2-dimensional free energy surfaces, the relation of Marcus ET and exciplex formation is discussed. The transient effect in fluorescence quenching was measured for several D-A pairs in a nonpolar solvent. The results were analyzed by assuming a distance dependence of the ET rate that is consistent with the above model.

Ionization due to the interaction between two Rydberg atoms

International Nuclear Information System (INIS)

Robicheaux, F

2005-01-01

Using a classical trajectory Monte Carlo method, we have computed the ionization resulting from the interaction between two cold Rydberg atoms. We focus on the products resulting from close interaction between two highly excited atoms. We give information on the distribution of ejected electron energies, the distribution of internal atom energies and the velocity distribution of the atoms and ions after the ionization. If the potential for the atom is not purely Coulombic, the average interaction between two atoms can change from attractive to repulsive giving a Van de Graaff-like mechanism for accelerating atoms. In a small fraction of ionization cases, we find that the ionization leads to a positive molecular ion where all of the distances are larger than 1000 Bohr radii

Phase separation in strongly correlated electron systems with two types of charge carriers

International Nuclear Information System (INIS)

Kugel, K.I.; Rakhmanov, A.L.; Sboychakov, A.O.

2007-01-01

Full text: A competition between the localization of the charge carriers due to Jahn-Teller distortions and the energy gain due to their delocalization in doped manganite and related magnetic oxides is analyzed based on a Kondo-lattice type model. The resulting effective Hamiltonian is, in fact, a generalization of the Falicov-Kimball model. We find that the number of itinerant charge carriers can be significantly lower than that implied by the doping level x. The phase diagram of the model in the T plane is constructed. The system exhibits magnetic ordered (antiferromagnetic, ferromagnetic, or canted) states as well the paramagnetic states with zero and nonzero density of the itinerant electrons. It is shown that a phase-separation is favorable in energy for a wide doping range. The characteristic size of inhomogeneities in a phase-separated state is of the order of several lattice constants. We also analyzed the two-band Hubbard model in the limit of strong on-site Coulomb repulsion. It was shown that such a system has a tendency to phase separation into the regions with different charge densities even in the absence of magnetic or any other ordering, if the ratio of the bandwidths is large enough. The work was supported by the European project CoMePhS and by the Russian Foundation for Basic Research, project no. 05-02-17600. (authors)

Repulsive energy and the Grueneisen parameter of alkali halides calculated on the basis of a quantum-statistical ab initio theory

International Nuclear Information System (INIS)

Kucharczyk, M.; Olszewski, S.

1982-01-01

The Grueneisen parameter of alkali halides is calculated by an ab initio quantum-statistical method and then compared with the experimental data. The crystal model applied assumes the crystal ions to be compressible but impenetrable spheres. The ions are described with the aid of a modified Thomas-Fermi theory with exchange. At the next step it is possible to calculate the energy needed to transform the system of the non-interacting ions into the ionic system represented by the crystal lattice. This calculation allows for an ab initio estimate of the parameters entering the Born, or the Born-Mayer, repulsive part of the crystal energy. The parameters are then used in the calculation of the Grueneisen parameter and its dependence on the crystal compression. (author)

Repulsive Casimir force from fractional Neumann boundary conditions

International Nuclear Information System (INIS)

Lim, S.C.; Teo, L.P.

2009-01-01

This Letter studies the finite temperature Casimir force acting on a rectangular piston associated with a massless fractional Klein-Gordon field at finite temperature. Dirichlet boundary conditions are imposed on the walls of a d-dimensional rectangular cavity, and a fractional Neumann condition is imposed on the piston that moves freely inside the cavity. The fractional Neumann condition gives an interpolation between the Dirichlet and Neumann conditions, where the Casimir force is known to be always attractive and always repulsive respectively. For the fractional Neumann boundary condition, the attractive or repulsive nature of the Casimir force is governed by the fractional order which takes values from zero (Dirichlet) to one (Neumann). When the fractional order is larger than 1/2, the Casimir force is always repulsive. For some fractional orders that are less than but close to 1/2, it is shown that the Casimir force can be either attractive or repulsive depending on the aspect ratio of the cavity and the temperature.

Maximum repulsed magnetization of a bulk superconductor with low pulsed field

International Nuclear Information System (INIS)

Tsuchimoto, M.; Kamijo, H.; Fujimoto, H.

2005-01-01

Pulsed field magnetization of a bulk high-T c superconductor (HTS) is important technique especially for practical applications of a bulk superconducting magnet. Full magnetization is not obtained for low pulsed field and trapped field is decreased by reversed current in the HTS. The trapped field distribution by repulsed magnetization was previously reported in experiments with temperature control. In this study, repulsed magnetization technique with the low pulsed field is numerically analyzed under assumption of variable shielding current by the temperature control. The shielding current densities are discussed to obtain maximum trapped field by two times of low pulsed field magnetizations

Attractive and repulsive magnetic suspension systems overview

Science.gov (United States)

Cope, David B.; Fontana, Richard R.

1992-01-01

Magnetic suspension systems can be used in a wide variety of applications. The decision of whether to use an attractive or repulsive suspension system for a particular application is a fundamental one which must be made during the design process. As an aid to the designer, we compare and contrast attractive and repulsive magnetic suspension systems and indicate whether and under what conditions one or the other system is preferred.

Reactive scattering of electronically excited alkali atoms with molecules

International Nuclear Information System (INIS)

Mestdagh, J.M.; Balko, B.A.; Covinsky, M.H.; Weiss, P.S.; Vernon, M.F.; Schmidt, H.; Lee, Y.T.

1987-06-01

Representative families of excited alkali atom reactions have been studied using a crossed beam apparatus. For those alkali-molecule systems in which reactions are also known for ground state alkali and involve an early electron transfer step, no large differences are observed in the reactivity as Na is excited. More interesting are the reactions with hydrogen halides (HCl): it was found that adding electronic energy into Na changes the reaction mechanism. Early electron transfer is responsible of Na(5S, 4D) reactions, but not of Na(3P) reactions. Moreover, the NaCl product scattering is dominated by the HCl - repulsion in Na(5S, 4D) reactions, and by the NaCl-H repulsion in the case of Na(3P). The reaction of Na with O 2 is of particular interest since it was found to be state specific. Only Na(4D) reacts, and the reaction requires restrictive constraints on the impact parameter and the reactants' relative orientation. The reaction with NO 2 is even more complex since Na(4D) leads to the formation of NaO by two different pathways. It must be mentioned however, that the identification of NaO as product in these reactions has yet to be confirmed

Photo double ionization of He: C3-like wave function for the two electron continuum

Energy Technology Data Exchange (ETDEWEB)

Otranto, S.; Garibotti, C.R. [Conicet and Centro Atomico Bariloche (Argentina); Otranto, S. [Universidad Nacional del Sur, Dept. de Fisica, Bahia Blanca (Argentina)

2002-12-01

We evaluate the triply differential cross-section (TDCS) for photo double ionization (PDI) of helium. A first approximation to the final state can be obtained by neglecting the e-e interaction and the non-orthogonal kinetic energy. This leads to the C2 model which proposes as solution a product of 2 independent Coulomb wave plane waves. A better approximation is the C3 model where the C3 wave describes the e-e motion as independent of the presence of the nucleus and represents it by a Coulomb continuum wave. The C3 wave function mainly consists in the product of 3 Coulomb waves, each one representing the interaction between a pair of particles. We use a C3 final continuum wave function with an inter-electronic effective coordinate to express the nuclear screening. Comparison with the standard C3 model shows that the TDCS is enhanced in the threshold region by effect of the reduced inter-electronic repulsion introduced by the present model. A more accurate description of the intermediate energy region is also obtained. Comparison with recent experimental data shows a good overall agreement of the angular distributions. The theoretical PDI total cross-section shows a relevant improvement in the intermediate energy region relative to the C3 model, which converges to data for photon energies larger than 1 keV.

Photo double ionization of He: C3-like wave function for the two electron continuum

International Nuclear Information System (INIS)

Otranto, S.; Garibotti, C.R.; Otranto, S.

2002-01-01

We evaluate the triply differential cross-section (TDCS) for photo double ionization (PDI) of helium. A first approximation to the final state can be obtained by neglecting the e-e interaction and the non-orthogonal kinetic energy. This leads to the C2 model which proposes as solution a product of 2 independent Coulomb wave plane waves. A better approximation is the C3 model where the C3 wave describes the e-e motion as independent of the presence of the nucleus and represents it by a Coulomb continuum wave. The C3 wave function mainly consists in the product of 3 Coulomb waves, each one representing the interaction between a pair of particles. We use a C3 final continuum wave function with an inter-electronic effective coordinate to express the nuclear screening. Comparison with the standard C3 model shows that the TDCS is enhanced in the threshold region by effect of the reduced inter-electronic repulsion introduced by the present model. A more accurate description of the intermediate energy region is also obtained. Comparison with recent experimental data shows a good overall agreement of the angular distributions. The theoretical PDI total cross-section shows a relevant improvement in the intermediate energy region relative to the C3 model, which converges to data for photon energies larger than 1 keV

Nuclear many-body problem with repulsive hard core interactions

Energy Technology Data Exchange (ETDEWEB)

Haddad, L M

1965-07-01

The nuclear many-body problem is considered using the perturbation-theoretic approach of Brueckner and collaborators. This approach is outlined with particular attention paid to the graphical representation of the terms in the perturbation expansion. The problem is transformed to centre-of-mass coordinates in configuration space and difficulties involved in ordinary methods of solution of the resulting equation are discussed. A new technique, the 'reference spectrum method', devised by Bethe, Brandow and Petschek in an attempt to simplify the numerical work in presented. The basic equations are derived in this approximation and considering the repulsive hard core part of the interaction only, the effective mass is calculated at high momentum (using the same energy spectrum for both 'particle' and 'hole' states). The result of 0.87m is in agreement with that of Bethe et al. A more complete treatment using the reference spectrum method in introduced and a self-consistent set of equations is established for the reference spectrum parameters again for the case of hard core repulsions. (author)

Itinerant Ferromagnetism in a Polarized Two-Component Fermi Gas

DEFF Research Database (Denmark)

Massignan, Pietro; Yu, Zhenhua; Bruun, Georg

2013-01-01

We analyze when a repulsively interacting two-component Fermi gas becomes thermodynamically unstable against phase separation. We focus on the strongly polarized limit, where the free energy of the homogeneous mixture can be calculated accurately in terms of well-defined quasiparticles, the repul......We analyze when a repulsively interacting two-component Fermi gas becomes thermodynamically unstable against phase separation. We focus on the strongly polarized limit, where the free energy of the homogeneous mixture can be calculated accurately in terms of well-defined quasiparticles...

Pairing from dynamically screened Coulomb repulsion in bismuth

Science.gov (United States)

Ruhman, Jonathan; Lee, Patrick A.

2017-12-01

Recently, Prakash et al. have discovered bulk superconductivity in single crystals of bismuth, which is a semimetal with extremely low carrier density. At such low density, we argue that conventional electron-phonon coupling is too weak to be responsible for the binding of electrons into Cooper pairs. We study a dynamically screened Coulomb interaction with effective attraction generated on the scale of the collective plasma modes. We model the electronic states in bismuth to include three Dirac pockets with high velocity and one hole pocket with a significantly smaller velocity. We find a weak-coupling instability, which is greatly enhanced by the presence of the hole pocket. Therefore we argue that bismuth is the first material to exhibit superconductivity driven by retardation effects of Coulomb repulsion alone. By using realistic parameters for bismuth we find that the acoustic plasma mode does not play the central role in pairing. We also discuss a matrix element effect, resulting from the Dirac nature of the conduction band, which may affect Tc in the s -wave channel without breaking time-reversal symmetry.

Theoretical treatment of electron capture and excitation in two-electron system ion-atom, atom-atom collisions at low to intermediate energy

International Nuclear Information System (INIS)

Kimura, M.

1986-01-01

A review of various theoretical treatments which have been used to study electron-capture and excitation processes in two-electron-system ion-atom, atom-atom collisions at low to intermediate energy is presented. Advantages as well as limitations associated with these theoretical models in application to practical many-electron ion-atom, atom-atom collisions are specifically pointed out. Although a rigorous theoretical study of many-electron systems has just begun so that reports of theoretical calculations are scarce to date in comparison to flourishing experimental activities, some theoretical results are of great interest and provide important information for understanding collision dynamics of the system which contains many electrons. Selected examples are given for electron capture in a multiply charged ion-He collision, ion-pair formation in an atom-atom collision and alignment and orientation in a Li + + He collision. (Auth.)

Compact multi-energy electron linear accelerators

International Nuclear Information System (INIS)

Tanabe, E.; Hamm, R.W.

1985-01-01

Two distinctly different concepts that have been developed for compact multi-energy, single-section, standing-wave electron linear accelerator structures are presented. These new concepts, which utilize (a) variable nearest neighbor couplings and (b) accelerating field phase switching, provide the capability of continuously varying the electron output energy from the accelerator without degrading the energy spectrum. These techniques also provide the means for continuously varying the energy spectrum while maintaining a given average electron energy, and have been tested successfully with several accelerators of length from 0.1 m to 1.9 m. Theoretical amd experimental results from these accelerators, and demonstrated applications of these techniques to medical and industrial linear accelerator technology will be described. In addition, possible new applications available to research and industry from these techniques are presented. (orig.)

The Role of Low-Energy Electrons in Astrochemistry: A Tale of Two Molecules

Science.gov (United States)

Arumainayagam, Chris; Cambell, Jyoti; Leon Sanche, Michael Boyer, and Petra Swiderek.

2016-06-01

In the interstellar medium, UV photolysis of ice mantles encasing dust grains is thought to be the mechanism that drives the synthesis of “complex” molecules. The source of this reaction-initiating UV light is assumed to be local because externally-sourced UV radiation cannot pass through the ice-containing dark, dense molecular clouds. Externally sourced cosmic rays (Emax ~ 1020 eV), in addition to producing UV light within these clouds, also produce large numbers of low-energy (≤ 20 eV) secondary electrons. The goal of our studies is to understand the low-energy electron-induced processes that occur when high-energy cosmic rays interact with interstellar ices. Using electron stimulated desorption (ESD), post-irradiation temperature-programmed desorption (TPD), and infrared reflection absorption spectroscopy (IRAS), we have investigated the radiolysis initiated by electrons in condensed methanol and ammonia at ~ 90 K under ultrahigh vacuum (1×10-9 Torr) conditions. We have identified fifteen low-energy (≤ 20 eV) electron-induced methanol radiolysis products, many of which have been previously identified as being formed by methanol UV photolysis in the interstellar medium. We have also found evidence for the electron-induced formation from ammonia of hydrazine (N2H4), diazene (N2H2), cyclotriazane/triazene (N3H3) and triazane (N3H5). We have investigated the reaction yields’ dependence on film thickness, irradiation time, incident current, electron energy, and metal substrate. These results provide a basis from which we can begin to understand the mechanisms by which methanol and ammonia can form more complex species in cosmic ices. Studies such as ours may ultimately help us better understand the initial stages of the genesis of life.

Mean transverse momenta correlations in hadron-hadron collisions in MC toy model with repulsing strings

International Nuclear Information System (INIS)

Altsybeev, Igor

2016-01-01

In the present work, Monte-Carlo toy model with repulsing quark-gluon strings in hadron-hadron collisions is described. String repulsion creates transverse boosts for the string decay products, giving modifications of observables. As an example, long-range correlations between mean transverse momenta of particles in two observation windows are studied in MC toy simulation of the heavy-ion collisions

Two-fluid turbulence including electron inertia

Energy Technology Data Exchange (ETDEWEB)

Andrés, Nahuel, E-mail: nandres@iafe.uba.ar; Gómez, Daniel [Instituto de Astronomía y Física del Espacio, CC. 67, suc. 28, 1428 Buenos Aires (Argentina); Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Pabellón I, 1428 Buenos Aires (Argentina); Gonzalez, Carlos; Martin, Luis; Dmitruk, Pablo [Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires and IFIBA, CONICET, 1428 Buenos Aires (Argentina)

2014-12-15

We present a full two-fluid magnetohydrodynamic (MHD) description for a completely ionized hydrogen plasma, retaining the effects of the Hall current, electron pressure, and electron inertia. According to this description, each plasma species introduces a new spatial scale: the ion inertial length λ{sub i} and the electron inertial length λ{sub e}, which are not present in the traditional MHD description. In the present paper, we seek for possible changes in the energy power spectrum in fully developed turbulent regimes, using numerical simulations of the two-fluid equations in two-and-a-half dimensions. We have been able to reproduce different scaling laws in different spectral ranges, as it has been observed in the solar wind for the magnetic energy spectrum. At the smallest wavenumbers where plain MHD is valid, we obtain an inertial range following a Kolmogorov k{sup −5∕3} law. For intermediate wavenumbers such that λ{sub i}{sup −1}≪k≪λ{sub e}{sup −1}, the spectrum is modified to a k{sup −7∕3} power-law, as has also been obtained for Hall-MHD neglecting electron inertia terms. When electron inertia is retained, a new spectral region given by k>λ{sub e}{sup −1} arises. The power spectrum for magnetic energy in this region is given by a k{sup −11∕3} power law. Finally, when the terms of electron inertia are retained, we study the self-consistent electric field. Our results are discussed and compared with those obtained in the solar wind observations and previous simulations.

Shell-Tunneling Spectroscopy of the Single-Particle Energy Levels of Insulating Quantum Dots

NARCIS (Netherlands)

Bakkers, E.P.A.M.; Hens, Z.; Zunger, A.; Franceschetti, A; Kouwenhoven, L.P.; Gurevich, L.; Vanmaekelbergh, D.

2001-01-01

The energy levels of CdSe quantum dots are studied by scanning tunneling spectroscopy. By varying the tip-dot distance, we switch from "shell-filling" spectroscopy (where electrons accumulate in the dot and experience mutual repulsion) to "shell-tunneling" spectroscopy (where electrons tunnel, one

Electron-electron correlation in two-photon double ionization of He-like ions

Science.gov (United States)

Hu, S. X.

2018-01-01

Electron correlation plays a crucial role in quantum many-body physics ranging from molecular bonding and strong-field-induced multielectron ionization, to superconducting in materials. Understanding the dynamic electron correlation in the photoionization of relatively simple quantum three-body systems, such as He and He-like ions, is an important step toward manipulating complex systems through photoinduced processes. Here we have performed ab initio investigations of two-photon double ionization (TPDI) of He and He-like ions (L i+,B e2 + , and C4 +) exposed to intense attosecond x-ray pulses. Results from such fully correlated quantum calculations show weaker and weaker electron correlation effects in TPDI spectra as the ionic charge increases, which is opposite to the intuition that the absolute increase of correlation in the ground state should lead to more equal energy sharing in photoionization. These findings indicate that the final-state electron-electron correlation ultimately determines the energy sharing of the two ionized electrons in TPDI.

Energy-filtered real- and k-space secondary and energy-loss electron imaging with Dual Emission Electron spectro-Microscope: Cs/Mo(110)

Energy Technology Data Exchange (ETDEWEB)

Grzelakowski, Krzysztof P., E-mail: k.grzelakowski@opticon-nanotechnology.com

2016-05-15

Since its introduction the importance of complementary k{sub ||}-space (LEED) and real space (LEEM) information in the investigation of surface science phenomena has been widely demonstrated over the last five decades. In this paper we report the application of a novel kind of electron spectromicroscope Dual Emission Electron spectroMicroscope (DEEM) with two independent electron optical channels for reciprocal and real space quasi-simultaneous imaging in investigation of a Cs covered Mo(110) single crystal by using the 800 eV electron beam from an “in-lens” electron gun system developed for the sample illumination. With the DEEM spectromicroscope it is possible to observe dynamic, irreversible processes at surfaces in the energy-filtered real space and in the corresponding energy-filtered k{sub ǁ}-space quasi-simultaneously in two independent imaging columns. The novel concept of the high energy electron beam sample illumination in the cathode lens based microscopes allows chemically selective imaging and analysis under laboratory conditions. - Highlights: • A novel concept of the electron sample illumination with “in-lens” e- gun is realized. • Quasi-simultaneous energy selective observation of the real- and k-space in EELS mode. • Observation of the energy filtered Auger electron diffraction at Cs atoms on Mo(110). • Energy-loss, Auger and secondary electron momentum microscopy is realized.

Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR) inspired interpretation.

Science.gov (United States)

Andrés, Juan; Berski, Sławomir; Silvi, Bernard

2016-07-07

Probing the electron density transfers during a chemical reaction can provide important insights, making possible to understand and control chemical reactions. This aim has required extensions of the relationships between the traditional chemical concepts and the quantum mechanical ones. The present work examines the detailed chemical insights that have been generated through 100 years of work worldwide on G. N. Lewis's ground breaking paper on The Atom and the Molecule (Lewis, G. N. The Atom and the Molecule, J. Am. Chem. Soc. 1916, 38, 762-785), with a focus on how the determination of reaction mechanisms can be reached applying the bonding evolution theory (BET), emphasizing how curly arrows meet electron density transfers in chemical reaction mechanisms and how the Lewis structure can be recovered. BET that combines the topological analysis of the electron localization function (ELF) and Thom's catastrophe theory (CT) provides a powerful tool providing insight into molecular mechanisms of chemical rearrangements. In agreement with physical laws and quantum theoretical insights, BET can be considered as an appropriate tool to tackle chemical reactivity with a wide range of possible applications. Likewise, the present approach retrieves the classical curly arrows used to describe the rearrangements of chemical bonds for a given reaction mechanism, providing detailed physical grounds for this type of representation. The ideas underlying the valence-shell-electron pair-repulsion (VSEPR) model applied to non-equilibrium geometries provide simple chemical explanations of density transfers. For a given geometry around a central atom, the arrangement of the electronic domain may comply or not with the VSEPR rules according with the valence shell population of the considered atom. A deformation yields arrangements which are either VSEPR defective (at least a domain is missing to match the VSEPR arrangement corresponding to the geometry of the ligands), VSEPR compliant

Distinct collective states due to trade-off between attractive and repulsive couplings

Science.gov (United States)

Sathiyadevi, K.; Chandrasekar, V. K.; Senthilkumar, D. V.; Lakshmanan, M.

2018-03-01

We investigate the effect of repulsive coupling together with an attractive coupling in a network of nonlocally coupled oscillators. To understand the complex interaction between these two couplings we introduce a control parameter in the repulsive coupling which plays a crucial role in inducing distinct complex collective patterns. In particular, we show the emergence of various cluster chimera death states through a dynamically distinct transition route, namely the oscillatory cluster state and coherent oscillation death state as a function of the repulsive coupling in the presence of the attractive coupling. In the oscillatory cluster state, the oscillators in the network are grouped into two distinct dynamical states of homogeneous and inhomogeneous oscillatory states. Further, the network of coupled oscillators follow the same transition route in the entire coupling range. Depending upon distinct coupling ranges, the system displays different number of clusters in the death state and oscillatory state. We also observe that the number of coherent domains in the oscillatory cluster state exponentially decreases with increase in coupling range and obeys a power-law decay. Additionally, we show analytical stability for observed solitary state, synchronized state, and incoherent oscillation death state.

Electron capture in pseudo-two-electron systems: Ar8++He

International Nuclear Information System (INIS)

Kimura, M.; Olson, R.E.

1985-01-01

Molecular-structure calculations using the pseudopotential method have been performed on the (ArHe) 8+ system. The cross section for single-electron capture in Ar 8+ +He collisions was calculated for energies from 20 eV to 10 keV/amu. The perturbed-stationary-state method [M. Kimura, H. Sato, and R. E. Olson, Phys. Rev. A 28, 2085 (1983)], modified to include electron translation factors appropriate to two-electron systems, was used. The total cross section is relatively energy independent with a value of approximately 2.5 x 10 -15 cm 2 . The n = 4 level of Ar 7+ is found to be preferentially populated, with the 4f level being dominant

Electron structure of atoms in laser plasma: The Debye shielding model

International Nuclear Information System (INIS)

Sako, Tokuei; Okutsu, Hiroshi; Yamanouchi, Kaoru

2005-01-01

The electronic structure and the energy spectra of multielectron atoms in laser plasmas are examined by the Debye shielding model. The effect of the plasma environment on the electrons bound in an atom is taken into account by introducing the screened Coulomb-type potentials into the electronic Hamiltonian of an atom in place of the standard nuclear attraction and electron repulsion potentials. The capabilities of this new Hamiltonian are demonstrated for He and Li in laser plasmas. (author)

Signatures of collective electron dynamics in the angular distributions of electrons ejected during ultrashort laser pulse interactions with C+

International Nuclear Information System (INIS)

Lysaght, M A; Hutchinson, S; Van der Hart, H W

2009-01-01

We use the time-dependent R-matrix approach to investigate an ultrashort pump-probe scheme to observe collective electron dynamics in C + driven by the repulsion of two equivalent p electrons. By studying the two-dimensional momentum distributions of the ejected electron as a function of the time-delay between an ultrashort pump pulse and an ionizing ultrashort probe pulse it is possible to track the collective dynamics inside the C + ion in the time domain.

Electronic properties of Mn-phthalocyanine–C60 bulk heterojunctions: Combining photoemission and electron energy-loss spectroscopy

International Nuclear Information System (INIS)

Roth, Friedrich; Herzig, Melanie; Knupfer, Martin; Lupulescu, Cosmin; Darlatt, Erik; Gottwald, Alexander; Eberhardt, Wolfgang

2015-01-01

The electronic properties of co-evaporated mixtures (blends) of manganese phthalocyanine and the fullerene C 60 (MnPc:C 60 ) have been studied as a function of the concentration of the two constituents using two supplementary electron spectroscopic methods, photoemission spectroscopy (PES) and electron energy-loss spectroscopy (EELS) in transmission. Our PES measurements provide a detailed picture of the electronic structure measured with different excitation energies as well as different mixing ratios between MnPc and C 60 . Besides a relative energy shift, the occupied electronic states of the two materials remain essentially unchanged. The observed energy level alignment is different compared to that of the related CuPc:C 60 bulk heterojunction. Moreover, the results from our EELS investigations show that, despite the rather small interface interaction, the MnPc related electronic excitation spectrum changes significantly by admixing C 60 to MnPc thin films

Electron energy measurements in pulsating auroras

International Nuclear Information System (INIS)

McEwan, D.J.; Yee, E.; Whalen, B.A.; Yau, A.W.

1981-01-01

Electron spectra were obtained during two rocket flights into pulsating aurora from Southend, Saskatchewan. The first rocket launched at 1143:24 UT on February 15, 1980 flew into an aurora of background intensity 275 R of N 2 + 4278 A and showing regular pulsations with about a 17 s period. Electron spectra of Maxwellian energy distributions were observed with an average E 0 = 1.5 keV, rising to 1.8 keV during the pulsations. There was one-to-one correspondence between the electron energy modulation and the observed optical pulsations. The second rocket, launched at 1009:10 UT on February 23, flew into a diffuse auroral surface of intensity 800 R of N 2 + 4278 A and with somewhat irregular pulsations. The electron spectra were again of Maxwellian energy distribution with an average E 0 = 1.8 keV increasing to 2.1 keV during the pulsations. The results from these flights suggest that pulsating auroras occurring in the morning sector may be quite commonly excited by low energy electrons. The optical pulsations are due to periodic increases in the energy of the electrons with the source of modulation in the vicintiy of the geomagnetic equatorial plane. (auth)

Spontaneous symmetry breaking due to the trade-off between attractive and repulsive couplings.

Science.gov (United States)

Sathiyadevi, K; Karthiga, S; Chandrasekar, V K; Senthilkumar, D V; Lakshmanan, M

2017-04-01

Spontaneous symmetry breaking is an important phenomenon observed in various fields including physics and biology. In this connection, we here show that the trade-off between attractive and repulsive couplings can induce spontaneous symmetry breaking in a homogeneous system of coupled oscillators. With a simple model of a system of two coupled Stuart-Landau oscillators, we demonstrate how the tendency of attractive coupling in inducing in-phase synchronized (IPS) oscillations and the tendency of repulsive coupling in inducing out-of-phase synchronized oscillations compete with each other and give rise to symmetry breaking oscillatory states and interesting multistabilities. Further, we provide explicit expressions for synchronized and antisynchronized oscillatory states as well as the so called oscillation death (OD) state and study their stability. If the Hopf bifurcation parameter (λ) is greater than the natural frequency (ω) of the system, the attractive coupling favors the emergence of an antisymmetric OD state via a Hopf bifurcation whereas the repulsive coupling favors the emergence of a similar state through a saddle-node bifurcation. We show that an increase in the repulsive coupling not only destabilizes the IPS state but also facilitates the reentrance of the IPS state.

Measured long-range repulsive Casimir-Lifshitz forces.

Science.gov (United States)

Munday, J N; Capasso, Federico; Parsegian, V Adrian

2009-01-08

Quantum fluctuations create intermolecular forces that pervade macroscopic bodies. At molecular separations of a few nanometres or less, these interactions are the familiar van der Waals forces. However, as recognized in the theories of Casimir, Polder and Lifshitz, at larger distances and between macroscopic condensed media they reveal retardation effects associated with the finite speed of light. Although these long-range forces exist within all matter, only attractive interactions have so far been measured between material bodies. Here we show experimentally that, in accord with theoretical prediction, the sign of the force can be changed from attractive to repulsive by suitable choice of interacting materials immersed in a fluid. The measured repulsive interaction is found to be weaker than the attractive. However, in both cases the magnitude of the force increases with decreasing surface separation. Repulsive Casimir-Lifshitz forces could allow quantum levitation of objects in a fluid and lead to a new class of switchable nanoscale devices with ultra-low static friction.

Regular perturbation theory for two-electron atoms

International Nuclear Information System (INIS)

Feranchuk, I.D.; Triguk, V.V.

2011-01-01

Regular perturbation theory (RPT) for the ground and excited states of two-electron atoms or ions is developed. It is shown for the first time that summation of the matrix elements from the electron-electron interaction operator over all intermediate states can be calculated in a closed form by means of the two-particle Coulomb Green's function constructed in the Letter. It is shown that the second order approximation of RPT includes the main part of the correlation energy both for the ground and excited states. This approach can be also useful for description of two-electron atoms in external fields. -- Highlights: → We develop regular perturbation theory for the two-electron atoms or ions. → We calculate the sum of the matrix elements over all intermediate states. → We construct the two-particle Coulomb Green's function.

Charged singularities: repulsive effects

Energy Technology Data Exchange (ETDEWEB)

De Felice, F; Nobili, L [Padua Univ. (Italy). Ist. di Fisica; Calvani, M [Padua Univ. (Italy). Ist. di Astronomia

1980-07-01

The repulsive phenomena which a particle experiences in the vicinity of a naked singularity are investigated in the Kerr-Newman space-time. The aim is to extend the knowledge of this fact to charged solutions and to have a direct indication of how, in these situations, the gravitational and electrostatic interactions are competing.

Equation of state and Helmholtz free energy for the atomic system of the repulsive Lennard-Jones particles.

Science.gov (United States)

Mirzaeinia, Ali; Feyzi, Farzaneh; Hashemianzadeh, Seyed Majid

2017-12-07

Simple and accurate expressions are presented for the equation of state (EOS) and absolute Helmholtz free energy of a system composed of simple atomic particles interacting through the repulsive Lennard-Jones potential model in the fluid and solid phases. The introduced EOS has 17 and 22 coefficients for fluid and solid phases, respectively, which are regressed to the Monte Carlo (MC) simulation data over the reduced temperature range of 0.6≤T * ≤6.0 and the packing fraction range of 0.1 ≤ η ≤ 0.72. The average absolute relative percent deviation in fitting the EOS parameters to the MC data is 0.06 and 0.14 for the fluid and solid phases, respectively. The thermodynamic integration method is used to calculate the free energy using the MC simulation results. The Helmholtz free energy of the ideal gas is employed as the reference state for the fluid phase. For the solid phase, the values of the free energy at the reduced density equivalent to the close-packed of a hard sphere are used as the reference state. To check the validity of the predicted values of the Helmholtz free energy, the Widom particle insertion method and the Einstein crystal technique of Frenkel and Ladd are employed. The results obtained from the MC simulation approaches are well agreed to the EOS results, which show that the proposed model can reliably be utilized in the framework of thermodynamic theories.

Positive effects of repulsion on boundedness in a fully parabolic attraction-repulsion chemotaxis system with logistic source

Science.gov (United States)

Wang, Wei; Zhuang, Mengdi; Zheng, Sining

2018-02-01

In this paper we study the global boundedness of solutions to the fully parabolic attraction-repulsion chemotaxis system with logistic source: ut = Δu - χ∇ ṡ (u∇v) + ξ∇ ṡ (u∇w) + f (u), vt = Δv - βv + αu, wt = Δw - δw + γu, subject to homogeneous Neumann boundary conditions in a bounded and smooth domain Ω ⊂Rn (n ≥ 1), where χ, α, ξ, γ, β and δ are positive constants, and f : R → R is a smooth function generalizing the logistic source f (s) = a - bsθ for all s ≥ 0 with a ≥ 0, b > 0 and θ ≥ 1. It is shown that when the repulsion cancels the attraction (i.e. χα = ξγ), the solution is globally bounded if n ≤ 3, or θ >θn : = min ⁡ {n+2}/4, n/√{n2 + 6 n + 17 }/-n2 - 3 n + 4 4 } with n ≥ 2. Therefore, due to the inhibition of repulsion to the attraction, in any spatial dimension, the exponent θ is allowed to take values less than 2 such that the solution is uniformly bounded in time.

Tantalum surface oxidation: Bond relaxation, energy entrapment, and electron polarization

Energy Technology Data Exchange (ETDEWEB)

Guo, Yongling [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China); Bo, Maolin [Yangtze Normal University, College of Mechanical and Electrical Engineering, Chongqing 408100 (China); Wang, Yan [School of Information and Electronic Engineering, Hunan University of Science and Technology, Hunan 411201 (China); Liu, Yonghui [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China); Sun, Chang Q. [NOVITAS, School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Huang, Yongli, E-mail: huangyongli@xtu.edu.cn [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China)

2017-02-28

Graphical abstract: The bond, electron and energy relaxation result in core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Highlights: • Increasing the oxygen coverage lowers the adsorption energy associated with lattice reconstruction. • Electrons transfer from Ta surface atoms to sp-hydrated oxygen, creating dipole moment that decreases the work function. • Oxygen chemisorption modified valence density-of-state (DOS) for Ta with four excessive DOS features: O−Ta bonding, O{sup 2−} lone pairs, Ta+ electron holes, and the lone-pair polarized Ta dipoles. • The bond, electron and energy relaxation between surface undercoordinated atoms are responsible for core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Abstract: A combination of photoelectron spectrometric analysis and density functional theory calculations has enabled reconciliation of the bond-energy-electron relaxation for the Ta(100, 110, 111) surfaces chemisorbed with oxygen at different coverages. Results show that increasing oxygen coverage lowers the adsorption energy associated with lattice reconstruction. Valence electrons transfer from Ta surface atoms to oxygen to create four excessive DOS features in terms of O−Ta bonding, lone pairs of oxygen, Ta{sup +} electron holes, and polarized Ta dipoles. Oxidation proceeds in the following dynamics: oxygen gets electrons from two neighboring Ta atoms left behind Ta{sup +}; the sp{sup 3}-orbital hybridization takes place with additional two electron lone pairs, the lone pairs polarize the other two Ta neighbors becoming dipoles. X-ray photoelectron spectral analysis results in the 4f binding energy of an isolated Ta atom and its shift upon bond formation and oxidation. Exercises provide not only a promising numerical approach for the quantitative information about the bond and electronic behavior but also consistent

Tantalum surface oxidation: Bond relaxation, energy entrapment, and electron polarization

International Nuclear Information System (INIS)

Guo, Yongling; Bo, Maolin; Wang, Yan; Liu, Yonghui; Sun, Chang Q.; Huang, Yongli

2017-01-01

Graphical abstract: The bond, electron and energy relaxation result in core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Highlights: • Increasing the oxygen coverage lowers the adsorption energy associated with lattice reconstruction. • Electrons transfer from Ta surface atoms to sp-hydrated oxygen, creating dipole moment that decreases the work function. • Oxygen chemisorption modified valence density-of-state (DOS) for Ta with four excessive DOS features: O−Ta bonding, O"2"− lone pairs, Ta+ electron holes, and the lone-pair polarized Ta dipoles. • The bond, electron and energy relaxation between surface undercoordinated atoms are responsible for core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Abstract: A combination of photoelectron spectrometric analysis and density functional theory calculations has enabled reconciliation of the bond-energy-electron relaxation for the Ta(100, 110, 111) surfaces chemisorbed with oxygen at different coverages. Results show that increasing oxygen coverage lowers the adsorption energy associated with lattice reconstruction. Valence electrons transfer from Ta surface atoms to oxygen to create four excessive DOS features in terms of O−Ta bonding, lone pairs of oxygen, Ta"+ electron holes, and polarized Ta dipoles. Oxidation proceeds in the following dynamics: oxygen gets electrons from two neighboring Ta atoms left behind Ta"+; the sp"3-orbital hybridization takes place with additional two electron lone pairs, the lone pairs polarize the other two Ta neighbors becoming dipoles. X-ray photoelectron spectral analysis results in the 4f binding energy of an isolated Ta atom and its shift upon bond formation and oxidation. Exercises provide not only a promising numerical approach for the quantitative information about the bond and electronic behavior but also consistent insight into the

Electron energies in metals

International Nuclear Information System (INIS)

Mahan, G.D.; Tennessee Univ., Knoxville, TN

1991-01-01

The modern era of electron-electron interactions began a decade ago. Plummer's group initiated a program of using angular resolved photoemission to examine the band structure of the simple metals. Beginning with aluminum, and carrying on to sodium and potassium, they always found that the occupied energy bands were much narrower than expected. For example, the compressed energy bands for metallic potassium suggest a band effective mass of m* = 1.33m e . This should be compared to the band mass found from optical conductivity m*/m e = 1.01 ± 0.01. The discrepancy between these results is startling. It was this great difference which started my group doing calculations. Our program was two-fold. On one hand, we reanalyzed the experimental data, in order to see if Plummer's result was an experimental artifact. On the other hand, we completely redid the electron-electron self-energy calculations for simple metals, using the most modern choices of local-field corrections and vertex corrections. Our results will be reported in these lectures. They can be summarized as following: Our calculations give the same effective masses as the older calculations, so the theory is relatively unchanged; Our analysis of the experiments suggests that the recent measurements of band narrowing are an experimental artifact. 38 refs., 9 figs

Holographic repulsion and confinement in gauge theory

Science.gov (United States)

Husain, Viqar; Kothawala, Dawood

2013-02-01

We show that for asymptotically anti-de Sitter (AdS) backgrounds with negative energy, such as the AdS soliton and regulated negative-mass AdS-Schwarzshild metrics, the Wilson loop expectation value in the AdS/CFT conjecture exhibits a Coulomb to confinement transition. We also show that the quark-antiquark (q \\bar{q}) potential can be interpreted as affine time along null geodesics on the minimal string worldsheet and that its intrinsic curvature provides a signature of transition to confinement phase. Our results suggest a generic (holographic) relationship between confinement in gauge theory and repulsive gravity, which in turn is connected with singularity avoidance in quantum gravity. Communicated by P R L V Moniz

Two-electron photoionization cross sections at high energies

International Nuclear Information System (INIS)

Amusia, M.Ya.; Krivec, R.; Mandelzweig, V.B.

2003-01-01

Double and single electron photoionization cross sections and their ratios at high and ultra-relativistic energies are calculated for H - , He and helium-like ions in ground and excited states including triplet states. The ratios contain shake-off and quasi-free terms. A high precision non-variational wave function is used. The quasi-free mechanism increases the ratios impressively: for He we get 0.0762 instead of 0.0164 in the non-relativistic case. Ratios are inversely proportional to Z 2 , with a factor increasing from 0.094 in the nonrelativistic to 0.595 in the ultra-relativistic limit. (author)

Relations among several nuclear and electronic density functional reactivity indexes

Science.gov (United States)

Torrent-Sucarrat, Miquel; Luis, Josep M.; Duran, Miquel; Toro-Labbé, Alejandro; Solà, Miquel

2003-11-01

An expansion of the energy functional in terms of the total number of electrons and the normal coordinates within the canonical ensemble is presented. A comparison of this expansion with the expansion of the energy in terms of the total number of electrons and the external potential leads to new relations among common density functional reactivity descriptors. The formulas obtained provide explicit links between important quantities related to the chemical reactivity of a system. In particular, the relation between the nuclear and the electronic Fukui functions is recovered. The connection between the derivatives of the electronic energy and the nuclear repulsion energy with respect to the external potential offers a proof for the "Quantum Chemical le Chatelier Principle." Finally, the nuclear linear response function is defined and the relation of this function with the electronic linear response function is given.

Attractive and repulsive cracks in a heterogeneous material

International Nuclear Information System (INIS)

Cortet, Pierre-Philippe; Huillard, Guillaume; Vanel, Loïc; Ciliberto, Sergio

2008-01-01

We study experimentally the paths of an assembly of cracks growing in interaction in a heterogeneous two-dimensional elastic brittle material submitted to uniaxial stress. For a given initial crack assembly geometry, we observe two types of crack path. The first one corresponds to a repulsion followed by an attraction on one end of the crack and a tip-to-tip attraction on the other end. The second one corresponds to a pure attraction. Only one of the crack path types is observed in a given sample. Thus, selection between the two types appears as a statistical collective process

Does the Higgs mechanism favour electron-electron bound states in Maxwell-Chern-Simons QED3?

International Nuclear Information System (INIS)

Belich, Humberto; Helayeel-Neto, Jose Abdalla; Ferreira Junior, Manoel Messias

2000-01-01

Full text follows: We show that low-energy electron-electron bound states appear in the Maxwell-Chern-Simons (MCS) planar QED. In spite of the repulsive interaction mediated by the MCS gauge field, a net attractive interaction stems due to the Higgs mechanism through an Yukawa-type interaction. The spontaneous breaking of a local U(1)-symmetry is realized by a γ 6 -type potential. We conclude, by using the Schroedinger equation associated to the net attractive scattering potential, that electron-electron bound states arise in the model. Therefore, the Higgs mechanism overcomes the difficulties found out by Girotti et al. (Phys. Rev. Lett. 69 (1992) 2623) in searching for bound states in the MCS planar QED. (author)

Electron scattering from sodium at intermediate energies

International Nuclear Information System (INIS)

Mitroy, J.; McCarthy, I.E.

1986-10-01

A comprehensive comparison is made between theoretical calculations and experimental data for intermediate energy (≥ 10 eV) electron scattering from sodium vapour. The theoretical predictions of coupled-channels calculations (including one, two or four channels) do not agree with experimental values of the differential cross sections for elastic scattering or the resonant 3s to 3p excitation. Increasingly-more-sophisticated calculations, incorporating electron correlations in the target states, and also including core-excited states in the close-coupling expansion, are done at a few selected energies in an attempt to isolate the cause of the discrepancies between theory and experiment. It is found that these more-sophisticated calculations give essentially the same results as the two- and four-channel calculations using Hartree-Fock wavefunctions. Comparison of the sodium high-energy elastic differential cross sections with those of neon suggests that the sodium differential cross section experiments may suffer from systematic errors. There is also disagreement, at the higher energies, between theoretical values for the scattering parameters and those that are derived from laser-excited superelastic scattering and electron photon coincidence experiments. When allowance is made for the finite acceptance angle of the electron spectrometers used in the experiments by convoluting the theory with a function representing the distribution of electrons entering the electron spectrometer it is found that the magnitudes of the differences between theory and experiment are reduced

Electron transfer by excited benzoquinone anions: slow rates for two-electron transitions.

Science.gov (United States)

Zamadar, Matibur; Cook, Andrew R; Lewandowska-Andralojc, Anna; Holroyd, Richard; Jiang, Yan; Bikalis, Jin; Miller, John R

2013-09-05

Electron transfer (ET) rate constants from the lowest excited state of the radical anion of benzoquinone, BQ(-•)*, were measured in THF solution. Rate constants for bimolecular electron transfer reactions typically reach the diffusion-controlled limit when the free-energy change, ΔG°, reaches -0.3 eV. The rate constants for ET from BQ(-•)* are one-to-two decades smaller at this energy and do not reach the diffusion-controlled limit until -ΔG° is 1.5-2.0 eV. The rates are so slow probably because a second electron must also undergo a transition to make use of the energy of the excited state. Similarly, ET, from solvated electrons to neutral BQ to form the lowest excited state, is slow, while fast ET is observed at a higher excited state, which can be populated in a transition involving only one electron. A simple picture based on perturbation theory can roughly account for the control of electron transfer by the need for transition of a second electron. The picture also explains how extra driving force (-ΔG°) can restore fast rates of electron transfer.

Quantum-size effects in the energy loss of charged particles interacting with a confined two-dimensional electron gas

International Nuclear Information System (INIS)

Borisov, A. G.; Juaristi, J. I.; Muino, R. Diez; Sanchez-Portal, D.; Echenique, P. M.

2006-01-01

Time-dependent density-functional theory is used to calculate quantum-size effects in the energy loss of antiprotons interacting with a confined two-dimensional electron gas. The antiprotons follow a trajectory normal to jellium circular clusters of variable size, crossing every cluster at its geometrical center. Analysis of the characteristic time scales that define the process is made. For high-enough velocities, the interaction time between the projectile and the target electrons is shorter than the time needed for the density excitation to travel along the cluster. The finite-size object then behaves as an infinite system, and no quantum-size effects appear in the energy loss. For small velocities, the discretization of levels in the cluster plays a role and the energy loss does depend on the system size. A comparison to results obtained using linear theory of screening is made, and the relative contributions of electron-hole pair and plasmon excitations to the total energy loss are analyzed. This comparison also allows us to show the importance of a nonlinear treatment of the screening in the interaction process

Improvements to laser wakefield accelerated electron beam stability, divergence, and energy spread using three-dimensional printed two-stage gas cell targets

International Nuclear Information System (INIS)

Vargas, M.; Schumaker, W.; He, Z.-H.; Zhao, Z.; Behm, K.; Chvykov, V.; Hou, B.; Krushelnick, K.; Maksimchuk, A.; Yanovsky, V.; Thomas, A. G. R.

2014-01-01

High intensity, short pulse lasers can be used to accelerate electrons to ultra-relativistic energies via laser wakefield acceleration (LWFA) [T. Tajima and J. M. Dawson, Phys. Rev. Lett. 43, 267 (1979)]. Recently, it was shown that separating the injection and acceleration processes into two distinct stages could prove beneficial in obtaining stable, high energy electron beams [Gonsalves et al., Nat. Phys. 7, 862 (2011); Liu et al., Phys. Rev. Lett. 107, 035001 (2011); Pollock et al., Phys. Rev. Lett. 107, 045001 (2011)]. Here, we use a stereolithography based 3D printer to produce two-stage gas targets for LWFA experiments on the HERCULES laser system at the University of Michigan. We demonstrate substantial improvements to the divergence, pointing stability, and energy spread of a laser wakefield accelerated electron beam compared with a single-stage gas cell or gas jet target

Improvements to laser wakefield accelerated electron beam stability, divergence, and energy spread using three-dimensional printed two-stage gas cell targets

Energy Technology Data Exchange (ETDEWEB)

Vargas, M.; Schumaker, W.; He, Z.-H.; Zhao, Z.; Behm, K.; Chvykov, V.; Hou, B.; Krushelnick, K.; Maksimchuk, A.; Yanovsky, V.; Thomas, A. G. R., E-mail: agrt@umich.edu [Center for Ultrafast Optical Science, University of Michigan, Ann Arbor, Michigan 48109 (United States)

2014-04-28

High intensity, short pulse lasers can be used to accelerate electrons to ultra-relativistic energies via laser wakefield acceleration (LWFA) [T. Tajima and J. M. Dawson, Phys. Rev. Lett. 43, 267 (1979)]. Recently, it was shown that separating the injection and acceleration processes into two distinct stages could prove beneficial in obtaining stable, high energy electron beams [Gonsalves et al., Nat. Phys. 7, 862 (2011); Liu et al., Phys. Rev. Lett. 107, 035001 (2011); Pollock et al., Phys. Rev. Lett. 107, 045001 (2011)]. Here, we use a stereolithography based 3D printer to produce two-stage gas targets for LWFA experiments on the HERCULES laser system at the University of Michigan. We demonstrate substantial improvements to the divergence, pointing stability, and energy spread of a laser wakefield accelerated electron beam compared with a single-stage gas cell or gas jet target.

Measured long-range repulsive Casimir–Lifshitz forces

Science.gov (United States)

Munday, J. N.; Capasso, Federico; Parsegian, V. Adrian

2014-01-01

Quantum fluctuations create intermolecular forces that pervade macroscopic bodies1–3. At molecular separations of a few nanometres or less, these interactions are the familiar van der Waals forces4. However, as recognized in the theories of Casimir, Polder and Lifshitz5–7, at larger distances and between macroscopic condensed media they reveal retardation effects associated with the finite speed of light. Although these long-range forces exist within all matter, only attractive interactions have so far been measured between material bodies8–11. Here we show experimentally that, in accord with theoretical prediction12, the sign of the force can be changed from attractive to repulsive by suitable choice of interacting materials immersed in a fluid. The measured repulsive interaction is found to be weaker than the attractive. However, in both cases the magnitude of the force increases with decreasing surface separation. Repulsive Casimir–Lifshitz forces could allow quantum levitation of objects in a fluid and lead to a new class of switchable nanoscale devices with ultra-low static friction13–15. PMID:19129843

Natural occupation numbers in two-electron quantum rings.

Science.gov (United States)

Tognetti, Vincent; Loos, Pierre-François

2016-02-07

Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems.

Natural occupation numbers in two-electron quantum rings

Energy Technology Data Exchange (ETDEWEB)

Tognetti, Vincent, E-mail: vincent.tognetti@univ-rouen.fr [Normandy Univ., COBRA UMR 6014 & FR 3038, Université de Rouen, INSA Rouen, CNRS, 1 rue Tesniére, 76821 Mont Saint Aignan, Cedex (France); Loos, Pierre-François [Research School of Chemistry, Australian National University, Canberra ACT 2601 (Australia)

2016-02-07

Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems.

Effect of two-temperature electrons distribution on an electrostatic plasma sheath

International Nuclear Information System (INIS)

Ou, Jing; Xiang, Nong; Gan, Chunyun; Yang, Jinhong

2013-01-01

A magnetized collisionless plasma sheath containing two-temperature electrons is studied using a one-dimensional model in which the low-temperature electrons are described by Maxwellian distribution (MD) and high-temperature electrons are described by truncated Maxwellian distribution (TMD). Based on the ion wave approach, a modified sheath criterion including effect of TMD caused by high-temperature electrons energy above the sheath potential energy is established theoretically. The model is also used to investigate numerically the sheath structure and energy flux to the wall for plasmas parameters of an open divertor tokamak-like. Our results show that the profiles of the sheath potential, two-temperature electrons and ions densities, high-temperature electrons and ions velocities as well as the energy flux to the wall depend on the high-temperature electrons concentration, temperature, and velocity distribution function associated with sheath potential. In addition, the results obtained in the high-temperature electrons with TMD as well as with MD sheaths are compared for the different sheath potential

Correlated electron-ion collisions in a strong laser field; Korrelierte Elektron-Ion-Stoesse in starken Laserfeldern

Energy Technology Data Exchange (ETDEWEB)

Ristow, T.

2007-12-17

Electron-ion-collisions in plasmas in the presence of an ultra-short intensive laser pulse can cause high energy transfers to the electrons. During the collision the oscillation energy of the electron in the laser field is changed into drift energy. In this regime, multi-photon processes, known from the ionization of neutral atoms (Above-Threshold Ionization), and successive, so called correlated collisions, are important. The subject of the thesis is a study of binary Coulomb collisions in strong laser fields. The collisions are treated both in the context of classical Newtonian mechanics and in the quantum-mechanical framework by the Schroedinger equation. In the classical case a simplified instantaneous collision model and a complete dynamical treatment are discussed. Collisions can be treated instantaneously, if the ratio of the impact parameter to the quiver amplitude is small. The energy distributions calculated in this approximation show an elastic peak and a broad plateau due to rescattered electrons. At incident velocities smaller than the quiver velocity, correlated collisions are observed in the electron trajectories of the dynamical model. This effect leads to characteristic momentum distributions of the electrons, that are explicitly calculated and compared with the results of the instantaneous model. In addition, the time-dependence of the collisions is discussed in the framework of a singular perturbation theory. The complete description of the Coulomb scattering requires a quantum-mechanical description. A time-dependent method of wave-packet scattering is used and the corresponding time-dependent three-dimensional Schroedinger equation is solved by an implicit ADImethod on a spatial grid. The momentum and the energy distributions of the scattered electrons are calculated by the Fourier transformation of the wavefunction. A comparison of the scattering from a repulsive and an attractive potential is used to distinguish between simple collisions and

Tests of an electron monitor for routine quality control measurements of electron energies

International Nuclear Information System (INIS)

Ramsay, E.B.; Reinstein, L.E.; Meek, A.G.

1991-01-01

The depth dose for electrons is sensitive to energy and the AAPM Task Group 24 has recommended that tests be performed at monthly intervals to assure electron beam energy constancy by verifying the depth for the 80% dose to within ±3 mm. Typically, this is accomplished by using a two-depth dose ratio technique. Recently, a new device, the Geske monitor, has been introduced that is designed for verifying energy constancy in a single reading. The monitor consists of nine parallel plate detectors that alternate with 5-mm-thick absorbers made of an aluminum alloy. An evaluation of the clinical usefulness of this monitor for the electron beams available on a Varian Clinac 20 has been undertaken with respect to energy discrimination. Beam energy changes of 3 mm of the 80% dose give rise to measurable output changes ranging from 1.7% for 20-MeV electron beams to 15% for 6-MeV electron beams

Two-parametric model of electron beam in computational dosimetry for radiation processing

International Nuclear Information System (INIS)

Lazurik, V.M.; Lazurik, V.T.; Popov, G.; Zimek, Z.

2016-01-01

Computer simulation of irradiation process of various materials with electron beam (EB) can be applied to correct and control the performances of radiation processing installations. Electron beam energy measurements methods are described in the international standards. The obtained results of measurements can be extended by implementation computational dosimetry. Authors have developed the computational method for determination of EB energy on the base of two-parametric fitting of semi-empirical model for the depth dose distribution initiated by mono-energetic electron beam. The analysis of number experiments show that described method can effectively consider random displacements arising from the use of aluminum wedge with a continuous strip of dosimetric film and minimize the magnitude uncertainty value of the electron energy evaluation, calculated from the experimental data. Two-parametric fitting method is proposed for determination of the electron beam model parameters. These model parameters are as follow: E 0 – energy mono-energetic and mono-directional electron source, X 0 – the thickness of the aluminum layer, located in front of irradiated object. That allows obtain baseline data related to the characteristic of the electron beam, which can be later on applied for computer modeling of the irradiation process. Model parameters which are defined in the international standards (like E p – the most probably energy and R p – practical range) can be linked with characteristics of two-parametric model (E 0 , X 0 ), which allows to simulate the electron irradiation process. The obtained data from semi-empirical model were checked together with the set of experimental results. The proposed two-parametric model for electron beam energy evaluation and estimation of accuracy for computational dosimetry methods on the base of developed model are discussed. - Highlights: • Experimental and computational methods of electron energy evaluation. • Development

A covalent attraction between two molecular cation TTF·~+

Institute of Scientific and Technical Information of China (English)

WANG FangFang; WANG Yi; WANG BingQiang; WANG YinFeng; MA Fang; Li ZhiRu

2009-01-01

The optimized structure of the tetrathiafulvalence radical-cation dimer (TTF·~+-TTF·~+) with all-real frequencies is obtained at MP2/6-311G level,which exhibits the attraction between two molecular cation TTF·~+.The new attraction interaction is a 20-center-2-electron intermolecular covalent π/π bonding with a telescope shape.The covalent π/π bonding has the bonding energy of about-21 kcal·mol~(-1) and is concealed by the Coulombic repulsion between two TTF·~+ cations.This intermolecular covalent attraction also influences the structure of the TTF·~+ subunit,I.e.,its molecular plane is bent by an angle θ=5.6°.This work provides new knowledge on intermolecular interaction.

A covalent attraction between two molecular cation TTF·~+

Institute of Scientific and Technical Information of China (English)

无

2009-01-01

The optimized structure of the tetrathiafulvalence radical-cation dimer(TTF·+-TTF·+) with all-real frequencies is obtained at MP2/6-311G level,which exhibits the attraction between two molecular cation TTF·+.The new attraction interaction is a 20-center-2-electron intermolecular covalent π /π bonding with a telescope shape.The covalent π /π bonding has the bonding energy of about -21 kcal·mol-1 and is concealed by the Coulombic repulsion between two TTF·+ cations.This intermolecular covalent attraction also influences the structure of the TTF·+ subunit,i.e.,its molecular plane is bent by an angle θ=5.6°.This work provides new knowledge on intermolecular interaction.

DFTB Parameters for the Periodic Table, Part 2: Energies and Energy Gradients from Hydrogen to Calcium.

Science.gov (United States)

Oliveira, Augusto F; Philipsen, Pier; Heine, Thomas

2015-11-10

In the first part of this series, we presented a parametrization strategy to obtain high-quality electronic band structures on the basis of density-functional-based tight-binding (DFTB) calculations and published a parameter set called QUASINANO2013.1. Here, we extend our parametrization effort to include the remaining terms that are needed to compute the total energy and its gradient, commonly referred to as repulsive potential. Instead of parametrizing these terms as a two-body potential, we calculate them explicitly from the DFTB analogues of the Kohn-Sham total energy expression. This strategy requires only two further numerical parameters per element. Thus, the atomic configuration and four real numbers per element are sufficient to define the DFTB model at this level of parametrization. The QUASINANO2015 parameter set allows the calculation of energy, structure, and electronic structure of all systems composed of elements ranging from H to Ca. Extensive benchmarks show that the overall accuracy of QUASINANO2015 is comparable to that of well-established methods, including PM7 and hand-tuned DFTB parameter sets, while coverage of a much larger range of chemical systems is available.

Electron Energy Loss and One- and Two-Photon Excited SERS Probing of “Hot” Plasmonic Silver Nanoaggregates

DEFF Research Database (Denmark)

Kadkhodazadeh, Shima; Wagner, Jakob Birkedal; Joseph, Virginia

2013-01-01

in an optical experiment and electron energy loss intensity at energies corresponding to excitation wavelengths used for optical probing. This inverse relation exists independent on specific nanoaggregate geometries and is mainly controlled by the gap size between the particles forming the aggregate. The ratio...... between two- and one-photon excited SERS measured at different excitation wavelengths provides information about local fields in the hottest spots and their dependence on the photon energy. Our data verify experimentally the predicted increase of local optical fields in the hot spots with increasing wave...

Pairing from strong repulsion in triangular lattice Hubbard model

Science.gov (United States)

Zhang, Shang-Shun; Zhu, Wei; Batista, Cristian D.

2018-04-01

We propose a pairing mechanism between holes in the dilute limit of doped frustrated Mott insulators. Hole pairing arises from a hole-hole-magnon three-body bound state. This pairing mechanism has its roots on single-hole kinetic energy frustration, which favors antiferromagnetic (AFM) correlations around the hole. We demonstrate that the AFM polaron (hole-magnon bound state) produced by a single hole propagating on a field-induced polarized background is strong enough to bind a second hole. The effective interaction between these three-body bound states is repulsive, implying that this pairing mechanism is relevant for superconductivity.

Electronic conduction in doped multiferroic BiFeO3

Science.gov (United States)

Yang, Chan-Ho; Seidel, Jan; Kim, Sang-Yong; Gajek, M.; Yu, P.; Holcomb, M. B.; Martin, L. W.; Ramesh, R.; Chu, Y. H.

2009-03-01

Competition between multiple ground states, that are energetically similar, plays a key role in many interesting material properties and physical phenomena as for example in high-Tc superconductors (electron kinetic energy vs. electron-electron repulsion), colossal magnetoresistance (metallic state vs. charge ordered insulating state), and magnetically frustrated systems (spin-spin interactions). We are exploring the idea of similar competing phenomena in doped multiferroics by control of band-filling. In this paper we present systematic investigations of divalent Ca doping of ferroelectric BiFeO3 in terms of structural and electronic conduction properties as well as diffusion properties of oxygen vacancies.

Energy Conversion Mechanism for Electron Perpendicular Energy in High Guide-Field Reconnection

Science.gov (United States)

Guo, Xuehan; Horiuchi, Ritoku; Kaminou, Yasuhiro; Cheng, Frank; Ono, Yasushi

2016-10-01

The energy conversion mechanism for electron perpendicular energy, both the thermal and the kinetic energy, is investigated by means of two-dimensional, full-particle simulations in an open system. It is shown that electron perpendicular heating is mainly due to the breaking of magnetic moment conservation in separatrix region because the charge separation generates intense variation of electric field within the electron Larmor radius. Meanwhile, electron perpendicular acceleration takes place manly due to the polarization drift term as well as the curvature drift term of E . u⊥ in the downstream near the X-point. The enhanced electric field due to the charge separation there results in a significant effect of the polarization drift term on the dissipation of magnetic energy within the ion inertia length in the downstream. Japan Society for the Promotion of Science (JSPS) Fellows 15J03758.

CMS: Simulated Higgs to two jets and two electrons

CERN Multimedia

1997-01-01

This track is an example of simulated data modelled for the CMS detector on the Large Hadron Collider (LHC) at CERN, which will begin taking data in 2008. Here a Higgs boson is produced which decays into two jets of hadrons and two electrons. The lines represent the possible paths of particles produced by the proton-proton collision in the detector while the energy these particles deposit is shown in blue.

Repulsive DNA-DNA interactions accelerate viral DNA packaging in phage phi29

OpenAIRE

Keller, Nicholas; delToro, Damian; Grimes, Shelley; Jardine, Paul J.; Smith, Douglas E.

2014-01-01

We use optical tweezers to study the effect of attractive versus repulsive DNA-DNA interactions on motor-driven viral packaging. Screening of repulsive interactions accelerates packaging, but induction of attractive interactions by spermidine3+ causes heterogeneous dynamics. Acceleration is observed in a fraction of complexes, but most exhibit slowing and stalling, suggesting that attractive interactions promote nonequilibrium DNA conformations that impede the motor. Thus, repulsive interacti...

Repulsive Casimir force in Bose–Einstein Condensate

Science.gov (United States)

Mehedi Faruk, Mir; Biswas, Shovon

2018-04-01

We study the Casimir effect for a three dimensional system of ideal free massive Bose gas in a slab geometry with Zaremba and anti-periodic boundary conditions. It is found that for these type of boundary conditions the resulting Casimir force is repulsive in nature, in contrast with usual periodic, Dirichlet or Neumann boundary condition where the Casimir force is attractive (Martin and Zagrebnov 2006 Europhys. Lett. 73 15). Casimir forces in these boundary conditions also maintain a power law decay function below condensation temperature and exponential decay function above the condensation temperature albeit with a positive sign, identifying the repulsive nature of the force.

Confined quantum systems: spectral properties of two-electron quantum dots

International Nuclear Information System (INIS)

Sako, T; Diercksen, G H F

2003-01-01

The spectrum, electron-density distribution and ground-state correlation energy of two electrons confined by an anisotropic harmonic oscillator potential have been studied for different confinement strengths ω by using the quantum chemical configuration interaction (CI) method employing a large Cartesian anisotropic Gaussian basis set and a full CI wavefunction. Energy level diagrams and electron-density distributions are displayed for selected electronic states and confinement parameters. The total energy and spacing between energy levels increase in all cases with increasing ω. The energy level structure cannot be matched by scaling with respect to ω. The correlation energy of the ground state is comparable in magnitude to that of the helium atom. It increases for increasing ω. The percentage of the correlation energy with respect to the total energy of the ground state is considerably larger than that of the helium atom

Idempotent Dirac density matrix for ten-electron central field inhomogeneous electron liquids in terms of electron- and kinetic energy-densities

International Nuclear Information System (INIS)

March, N.H.

2006-08-01

A differential equation for the Dirac density matrix γ(r, r'), given ground-state electron- and kinetic energy-densities, has been derived by March and Suhai for one- and two-level occupancy. For ten-electron spin-compensated spherical systems, it is shown here that γ ≡ γ[ρ, t g ] where ρ and t g are electron- and kinetic energy-densities. The philosophy of March and Suhai is confirmed beyond two-level filling. An important byproduct of the present approach is an explicit expression for the one-body potential of DFT in terms of the p-shell electron density. (author)

Interplay between electron-phonon and electron-electron interactions

International Nuclear Information System (INIS)

Roesch, O.; Gunnarsson, O.; Han, J.E.; Crespi, V.H.

2005-01-01

We discuss the interplay between electron-electron and electron-phonon interactions for alkali-doped fullerides and high temperature superconductors. Due to the similarity of the electron and phonon energy scales, retardation effects are small for fullerides. This raises questions about the origin of superconductivity, since retardation effects are believed to be crucial for reducing effects of the Coulomb repulsion in conventional superconductors. We demonstrate that by treating the electron-electron and electron-phonon interactions on an equal footing, superconductivity can be understood in terms of a local pairing. The Jahn-Teller character of the important phonons in fullerides plays a crucial role for this result. To describe effects of phonons in cuprates, we derive a t-J model with phonons from the three-band model. Using exact diagonalization for small clusters, we find that the anomalous softening of the half-breathing phonon as well as its doping dependence can be explained. By comparing the solution of the t-J model with the Hartree-Fock approximation for the three-band model, we address results obtained in the local-density approximation for cuprates. We find that genuine many-body results, due to the interplay between the electron-electron and electron-phonon interactions, play an important role for the the results in the t-J model. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

The effects of attractive vs. repulsive instructional cuing on balance performance.

Science.gov (United States)

Kinnaird, Catherine; Lee, Jaehong; Carender, Wendy J; Kabeto, Mohammed; Martin, Bernard; Sienko, Kathleen H

2016-03-16

Torso-based vibrotactile feedback has been shown to improve postural performance during quiet and perturbed stance in healthy young and older adults and individuals with balance impairments. These systems typically include tactors distributed around the torso that are activated when body motion exceeds a predefined threshold. Users are instructed to "move away from the vibration". However, recent studies have shown that in the absence of instructions, vibrotactile stimulation induces small (~1°) non-volitional responses in the direction of its application location. It was hypothesized that an attractive cuing strategy (i.e., "move toward the vibration") could improve postural performance by leveraging this natural tendency. Eight healthy older adults participated in two non-consecutive days of computerized dynamic posturography testing while wearing a vibrotactile feedback system comprised of an inertial measurement unit and four tactors that were activated in pairs when body motion exceeded 1° anteriorly or posteriorly. A crossover design was used. On each day participants performed 24 repetitions of Sensory Organization Test condition 5 (SOT5), three repetitions each of SOT 1-6, three repetitions of the Motor Control Test, and five repetitions of the Adaptation Test. Performance metrics included A/P RMS, Time-in-zone and 95 % CI Ellipse. Performance improved with both cuing strategies but participants performed better when using repulsive cues. However, the rate of improvement was greater for attractive versus repulsive cuing. The results suggest that when the cutaneous signal is interpreted as an alarm, cognition overrides sensory information. Furthermore, although repulsive cues resulted in better performance, attractive cues may be as good, if not better, than repulsive cues following extended training.

Quantum mechanics study of repulsive π-π interaction and flexibility of phenyl moiety in the iron azodioxide complex

Science.gov (United States)

Liu, Yuemin; Liu, Yucheng; Murru, Siva; Tzeng, Nianfeng; Srivastava, Radhey S.

2015-10-01

In this study, repulsive π-π interactions within iron azodioxide complex Fe[Ph(O)NN(O)Ph]3 were quantum mechanically characterized using DFT, MP2 and CCSD(T) methods. Flexibility of six phenyl moieties in this complex structure was also investigated by structural optimization approach using the DFT methods. Our MP2 and CCSD(T) calculations of the closest pair provided interaction energy of 6.62 and 8.29 kcal/mol respectively, which indicate a strongest repulsion among these intra-molecular π-π interactions. Interaction energy of the particular π-π pair calculated from 24 hybrid DFT methods ranges from 4.56 kcal/mol from BHandH method to 15.15 kcal/mol from O3LYP method. Cares should be exercised when interpreting interaction energy and geometry optimization from DFT simulation of systems containing π-π interaction. Comparison between the DFT results and the benchmark CCSD(T) results shows that the DFT calculations of π-π interaction are reasonable but still need to be interpreted with caution. Furthermore, MP2 interaction energy of -44.69 kcal/mol between two substituted π systems/phenyl rings Ph(O)N-moieties suggested that above energetically unfavorable π-π interaction can be compensated by the covalent bond N-N in a single ligand Ph(O)NN(O)Ph, which allows for a reasonable stability across the complex molecules. Optimizations of the entire complex molecule using B3LYP and M06HF methods produced a large variation of π-π distances and orientations, which implied that the complex molecule may perform catalysis at room temperature.

Ferromagnetic pairing states on two-coupled chains

International Nuclear Information System (INIS)

Tanaka, Akinori

2008-01-01

We propose a concrete model which exhibits ferromagnetism and electron-pair condensation simultaneously. The model is defined on two chains and consists of the electron hopping term, the on-site Coulomb repulsion and a ferromagnetic interaction which describes ferromagnetic coupling between two electrons, one on a bond in a chain and the other on a site in the other chain. It is rigorously shown that the model has fully-polarized ferromagnetic pairing ground states. The higher dimensional version of the model is also presented

Properties of the electron cloud in a high-energy positron and electron storage ring

International Nuclear Information System (INIS)

Harkay, K.C.; Rosenberg, R.A.

2003-01-01

Low-energy, background electrons are ubiquitous in high-energy particle accelerators. Under certain conditions, interactions between this electron cloud and the high-energy beam can give rise to numerous effects that can seriously degrade the accelerator performance. These effects range from vacuum degradation to collective beam instabilities and emittance blowup. Although electron-cloud effects were first observed two decades ago in a few proton storage rings, they have in recent years been widely observed and intensely studied in positron and proton rings. Electron-cloud diagnostics developed at the Advanced Photon Source enabled for the first time detailed, direct characterization of the electron-cloud properties in a positron and electron storage ring. From in situ measurements of the electron flux and energy distribution at the vacuum chamber wall, electron-cloud production mechanisms and details of the beam-cloud interaction can be inferred. A significant longitudinal variation of the electron cloud is also observed, due primarily to geometrical details of the vacuum chamber. Such experimental data can be used to provide realistic limits on key input parameters in modeling efforts, leading ultimately to greater confidence in predicting electron-cloud effects in future accelerators.

Renormalization group-theoretic approach to electron localization in disordered systems

International Nuclear Information System (INIS)

Kumar, N.; Heinrichs, J.

1977-06-01

The localization problem for the Anderson tight-binding model with site-diagonal (gaussian) disorder is studied, using a previously established analogy between this problem and the statistical mechanics of a zero-component classical field. The equivalent free-energy functional turns out to have complex coefficients in the bilinear terms but involves a real repulsive quartic interaction. The averaged one-electron propagator corresponds to the two-point correlation function for the equivalent statistical problem and the critical point gives the mobility edge, which is identified with the (real) fixed point energy of the associated renormalization group. Since for convergence reasons the conventional perturbative treatment of Wilson's formula is invalid, it is resorted to a non-perturbative approach which leads to a physical fixed point corresponding to a repulsive quartic interaction. The results for the mobility edge in three dimensions and for the critical disorder for an Anderson transition in two dimensions agree well with previous detailed predictions. The critical indices describing the approach of the transition at the mobility edge of various physical quantities, within the epsilon-expansion are also discussed. The more general problem where both diagonal and off-diagonal disorder is present in the Anderson hamiltonian is considered. In this case it is shown that the Hamilton function for the equivalent zero-component classical field model involves an additional biquadratic exchange term. From a simple generalization of Wilson's recursion relation and its non-perturbative solution explicit expressions for the mobility edges for weak diagonal and off-diagonal disorder in two and three dimensions are obtained. Our treatment casts doubts on the validity of recent conclusions about electron localization based on the renormalization group study of the nm-component spin model

Modulation of repulsive forces between neurofilaments by sidearm phosphorylation

International Nuclear Information System (INIS)

Kumar, Sanjay; Hoh, Jan H.

2004-01-01

Recent studies have advanced the notion that the axonal organization of neurofilaments (NFs) is based on mutual steric repulsion between the unstructured 'sidearm' domains of adjacent NFs. Here, we present experimental evidence that these repulsive forces are modulated by the degree of sidearm phosphorylation. When NFs are sedimented into a gelatinous pellet, pellet volume falls with increasing ionic strength and enzymatic dephosphorylation; sedimentation of phosphorylated NFs in the presence of divalent cations also dramatically reduces pellet volume. Further, atomic force microscopy imaging of isolated mammalian NFs reveals robust exclusion of colloidal particles from the NF backbone that is reduced at high ionic strength and attenuated when the filaments are enzymatically dephosphorylated. Phosphate-phosphate repulsion on the NF sidearm appears to modulate NF excluded volume in a graded fashion, thereby controlling axonal NF organization through interfilament forces

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

Science.gov (United States)

Jerke, Jonathan; Poirier, Bill

2018-03-01

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

UV photon and low-energy (5--150 eV) electron-stimulated processes at environmental interfaces

International Nuclear Information System (INIS)

Orlando, T.M.

1997-01-01

Irradiation of surfaces and interfaces with low-energy (5--150 eV) electrons and ultraviolet photons occurs during the storage of ''mixed'' (chemical/radioactive) waste forms and during processing steps which involve the use of low temperature plasmas. It is well known that electron- and photon-stimulated desorption (ESD and PSD) from wide band-gap materials and interfaces can be initiated by Auger decay of deep valence and shallow core holes. This process consists of hole production, Auger decay, reversal of the Madelung potential, and ion expulsion due to the Coulomb repulsion. ESD and PSD of neutrals also occurs and involves production of electron-hole pairs and excitons. Generally, neutral yields dominate ESD and PSD cross sections, which typically vary between ∼10 -16 and 10 -22 cm 2 . The authors present results on the ESD and PSD of environmentally relevant substrates such as ZrO 2 (100), soda-glass, and NaNO 3 . The major cation thresholds and yields indicate that ESD and PSD from these complex materials involves Auger stimulated events. In particular, desorption thresholds correlate with ionization of the O(2s), Zr(4p), Si(2p) and Na(2s) levels. The near band-gap threshold energy (∼5--7 eV) for the desorption of neutrals (i.e., atomic oxygen, NO, etc) demonstrate the overall importance of self-trapped and localized excitons in both ESD and PSD of typical ceramics and oxides

New models for intermolecular repulsion and their application to Van Der Waals complexes and crystals of organic molecules

International Nuclear Information System (INIS)

Tsui, H.H.Y.

2001-01-01

Model intermolecular potentials are required for simulations of molecules in the gas, liquid, or solid phase. The widely used isotropic atom-atom model potentials are empirically fitted and based on the assumptions of transferability, combining rules and that atoms in molecules are spherical. This thesis develops a non-empirical method of modelling repulsion by applying the overlap model, which we show as a general non-empirical method of deriving repulsion potentials for a specific molecule. In this thesis, the repulsion parameters for an exponential atom-atom model potential are obtained from the ab initio charge density of a small organic molecule by making the assumption that the repulsion is proportional to the overlap of a pair of molecules. The proportionality constant is fixed by a limited number of intermolecular perturbation theory (IMPT) calculations. To complete the model potential, the electrostatic interaction is represented by a distributed multipole analysis, and the Slater-Kirkwood formula is used for the dispersion. These non-empirical potentials can reproduce experimental crystal structure when applied to crystal structure prediction of an oxyboryl derivative. A detailed study on further improving the overlap model was carried out for phenol-water, by including other minor intermolecular contributions of charge-transfer and penetration. High quality ab initio calculations on the complex were performed for use in comparison. To compare with experimental data, diffusion Monte Carlo simulations were performed with the potential, so that the effects of anharmonic zero-point motion on structure and energy of the system are included. When the system is too large for an IMPT calculation, the proportionality constant can be determined empirically by fitting the cell volume as shown in our study of crystal structures of chlorothalonil. This is used with an anisotropic repulsion model that has been derived for Cl and N atoms in chlorothalonil. This model

Spectroscopy of two-electron atoms

International Nuclear Information System (INIS)

Desesquelles, J.

1988-01-01

Spectroscopy of heliumlike ions is discussed putting emphasis on mid and high Z atoms. Experimental aspects of ion charge, excitation production, clean spectra, and precise wavelength measurement are detailed. Recent results obtained at several laboratories including Lyon, Argonne, Notre-Dame, Oxford, Berkeley, Darmstadt, Paris, are used to test the QED contributions and higher order relativistic corrections to two-electron atom energies. (orig.)

Timing analysis of two-electron photoemission

International Nuclear Information System (INIS)

Kheifets, A S; Ivanov, I A; Bray, Igor

2011-01-01

We predict a significant delay of two-electron photoemission from the helium atom after absorption of an attosecond XUV pulse. We establish this delay by solving the time-dependent Schroedinger equation and by subsequently tracing the field-free evolution of the two-electron wave packet. This delay can also be related to the energy derivative of the phase of the complex double-photoionization (DPI) amplitude which we evaluate by using the convergent close-coupling method. Our observations indicate that future attosecond time delay measurements on DPI of He can provide information on the absolute quantum phase and elucidate various mechanisms of this strongly correlated ionization process. (fast track communication)

Performance Tuning of Fock Matrix and Two-Electron Integral Calculations for NWChem on Leading HPC Platforms

Energy Technology Data Exchange (ETDEWEB)

Shan, Hongzhan; Austin, Brian M.; De Jong, Wibe A.; Oliker, Leonid; Wright, Nicholas J.; Apra, Edoardo

2014-10-01

Attaining performance in the evaluation of two-electron repulsion integrals and constructing the Fock matrix is of considerable importance to the computational chemistry community. Due to its numerical complexity improving the performance behavior across a variety of leading supercomputing platforms is an increasing challenge due to the significant diversity in high-performance computing architectures. In this paper, we present our successful tuning methodology for these important numerical methods on the Cray XE6, the Cray XC30, the IBM BG/Q, as well as the Intel Xeon Phi. Our optimization schemes leverage key architectural features including vectorization and simultaneous multithreading, and results in speedups of up to 2.5x compared with the original implementation.

Design of a smart haptic system for repulsive force control under irregular manipulation environment

International Nuclear Information System (INIS)

Lee, Sang-Rock; Choi, Seung-Hyun; Choi, Seung-Bok; Cho, Myeong-Woo

2014-01-01

This paper describes how to make an operator feel the desired repulsive force in a haptic system. When an operator manipulates a haptic system, the repulsive force of the operator varies significantly, depending on many factors such as position, velocity and force. In order to reflect the desired repulsive force to the operator, it is commonly known that a haptic system must compensate for irregularly changing forces. The irregularity of the forces, however, has discouraged many researchers from establishing a clear principle on how to make the operator feel the desired repulsive force. To resolve this problem, we introduce a smart haptic framework that can reflect the desired repulsive force to the operator, regardless of the operator’s movement. A dummy governing equation technique is introduced and used to calculate the proper actuating force in real time. The actuating force is generated by a PID controller. To verify the proposed method, a mathematical proof is offered to show that the repulsive force converges to the desired repulsive force. Additionally, to demonstrate the performance of the proposed method, simulational and experimental tests are implemented. (paper)

Repulsive Casimir-Polder potential by a negative reflecting surface

Science.gov (United States)

Yuan, Qi-Zhang

2015-07-01

We present a scheme to generate an all-range long repulsive Casimir-Polder potential between a perfect negative reflecting surface and a ground-state atom. The repulsive potential is stable and does not decay with time. The Casimir-Polder potential is proportional to z-2 at short atom-surface distances and to z-4 at long atom-surface distances. Because of these advantages, this potential can help in building quantum reflectors, quantum levitating devices, and waveguides for matter waves.

Particle-Hole Asymmetry and Brightening of Solitons in a Strongly Repulsive Bose-Einstein Condensate

International Nuclear Information System (INIS)

Balakrishnan, Radha; Satija, Indubala I.; Clark, Charles W.

2009-01-01

We study solitary wave propagation in the condensate of a system of hard-core bosons with nearest-neighbor interactions. For this strongly repulsive system, the evolution equation for the condensate order parameter of the system, obtained using spin-coherent state averages, is different from the usual Gross-Pitaevskii equation (GPE). The system is found to support two kinds of solitons when there is a particle-hole imbalance: a dark soliton that dies out as the velocity approaches the sound velocity and a new type of soliton which brightens and persists all the way up to the sound velocity, transforming into a periodic wave train at supersonic speed. Analogous to the GPE soliton, the energy-momentum dispersion for both solitons is characterized by Lieb II modes.

Sheath and heat flow of a two-electron-temperature plasma in the presence of electron emission

International Nuclear Information System (INIS)

Sato, Kunihiro; Miyawaki, Fujio

1992-01-01

The electrostatic sheath and the heat flow of a two-electron-temperature plasma in the presence of electron emission are investigated analytically. It is shown that the energy flux is markedly enhanced to a value near the electron free-flow energy flux as a result of considerable reduction of the sheath potential due to electron emission if the fraction of hot electrons at the sheath edge is much smaller than one. If the hot- to cold-electron temperature ratio is of the order of ten and the hot electron density is comparable to the cold electron density, the action of the sheath as a thermal insulator is improved as a result of suppression of electron emission due to the space-charge effect of hot electrons. (author)

Variation of kinetic energy release with temperature and electron energy for unimolecular ionic transitions

International Nuclear Information System (INIS)

Rabia, M.A.; Fahmy, M.A.

1992-01-01

The kinetic energy released during seven unimolecular ionic transitions, generated from benzyl alcohol and benzyl amine have been studied as a function of ion source temperature and ionizing electron energy. Only, the kinetic energy released during H CN elimination from fragment [C 7 H 8 N]+ ion of benzyl amine displays a temperature dependence. For only two transitions, generated from benzyl alcohol, the kinetic energy released show a significant ionizing electron energy dependence. These results may reveal the role of the internal energy of reacting ions in producing the kinetic energy released some transitions produced from benzyl alcohol

Electronic structures of elements according to ionization energies.

Science.gov (United States)

Zadeh, Dariush H

2017-11-28

The electronic structures of elements in the periodic table were analyzed using available experimental ionization energies. Two new parameters were defined to carry out the study. The first parameter-apparent nuclear charge (ANC)-quantified the overall charge of the nucleus and inner electrons observed by an outer electron during the ionization process. This parameter was utilized to define a second parameter, which presented the shielding ability of an electron against the nuclear charge. This second parameter-electron shielding effect (ESE)-provided an insight into the electronic structure of atoms. This article avoids any sort of approximation, interpolation or extrapolation. First experimental ionization energies were used to obtain the two aforementioned parameters. The second parameter (ESE) was then graphed against the electron number of each element, and was used to read the corresponding electronic structure. The ESE showed spikes/peaks at the end of each electronic shell, providing insight into when an electronic shell closes and a new one starts. The electronic structures of elements in the periodic table were mapped using this methodology. These graphs did not show complete agreement with the previously known "Aufbau" filling rule. A new filling rule was suggested based on the present observations. Finally, a new way to organize elements in the periodic table is suggested. Two earlier topics of effective nuclear charge, and shielding factor were also briefly discussed and compared numerically to demonstrate the capability of the new approach.

Electron correlation effects on the N2--N2 interaction

International Nuclear Information System (INIS)

Hay, P.J.; Pack, R.T.; Martin, R.L.

1984-01-01

Ab initio self-consistent field, configuration interaction, and many-body perturbation theory methods are used to calculate the intermolecular potential between two nitrogen molecules. The emphasis is placed on the repulsive region important at the temperatures and pressures encountered in detonations. In addition, electron gas calculations are employed to fit and extend the ab initio data. We also generate effective spherical potentials which fit dilute gas virial, viscosity, and differential scattering data while being constrained by Hugoniot or ab initio data in the repulsive region. Finally, we discuss the roles of electron correlation and of many-body effects on the N 2 --N 2 interaction. Comparisons are also made to the Ar 2 potential where similar ab initio calculations are compared to an accurate empirical potential

Observation of attractive and repulsive polarons in a Bose-Einstein condensate

DEFF Research Database (Denmark)

Jørgensen, Nils Byg

2016-01-01

(BEC) has not yet been realized. Here, we use radio frequency spectroscopy of ultracold bosonic 39K atoms to experimentally demonstrate the existence of a well-defined quasiparticle state of an impurity interacting with a BEC. We measure the energy of the impurity both for attractive and repulsive...... interactions, and find excellent agreement with theories that incorporate three-body correlations. The spectral response consists of a well-defined quasiparticle peak at weak coupling, while for increasing interaction strength, the spectrum is strongly broadened and becomes dominated by the many-body continuum...

On energetic prerequisites of attracting electrons

Energy Technology Data Exchange (ETDEWEB)

Sundholm, Dage [Department of Chemistry, POB 55 (A.I. Virtanens plats 1), FIN-00014 University of Helsinki (Finland)

2014-06-21

The internal reorganization energy and the zero-point vibrational energy (ZPE) of fractionally charged molecules embedded in molecular materials are discussed. The theory for isolated open quantum systems is taken as the starting point. It is shown that for isolated molecules the internal reorganization-energy function and its slope, i.e., the chemical potential of an open molecular system are monotonically decreasing functions with respect to increasing amount of negative excess charge (q) in the range of q = [0, 1]. Calculations of the ZPE for fractionally charged molecules show that the ZPE may have a minimum for fractional occupation. The calculations show that the internal reorganization energy and changes in the ZPE are of the same order of magnitude with different behavior as a function of the excess charge. The sum of the contributions might favor molecules with fractional occupation of the molecular units and partial delocalization of the excess electrons in solid-state materials also when considering Coulomb repulsion between the excess electrons. The fractional electrons are then coherently distributed on many molecules of the solid-state material forming a condensate of attracting electrons, which is crucial for the superconducting state.

On energetic prerequisites of attracting electrons

Science.gov (United States)

Sundholm, Dage

2014-06-01

The internal reorganization energy and the zero-point vibrational energy (ZPE) of fractionally charged molecules embedded in molecular materials are discussed. The theory for isolated open quantum systems is taken as the starting point. It is shown that for isolated molecules the internal reorganization-energy function and its slope, i.e., the chemical potential of an open molecular system are monotonically decreasing functions with respect to increasing amount of negative excess charge (q) in the range of q = [0, 1]. Calculations of the ZPE for fractionally charged molecules show that the ZPE may have a minimum for fractional occupation. The calculations show that the internal reorganization energy and changes in the ZPE are of the same order of magnitude with different behavior as a function of the excess charge. The sum of the contributions might favor molecules with fractional occupation of the molecular units and partial delocalization of the excess electrons in solid-state materials also when considering Coulomb repulsion between the excess electrons. The fractional electrons are then coherently distributed on many molecules of the solid-state material forming a condensate of attracting electrons, which is crucial for the superconducting state.

On energetic prerequisites of attracting electrons

International Nuclear Information System (INIS)

Sundholm, Dage

2014-01-01

The internal reorganization energy and the zero-point vibrational energy (ZPE) of fractionally charged molecules embedded in molecular materials are discussed. The theory for isolated open quantum systems is taken as the starting point. It is shown that for isolated molecules the internal reorganization-energy function and its slope, i.e., the chemical potential of an open molecular system are monotonically decreasing functions with respect to increasing amount of negative excess charge (q) in the range of q = [0, 1]. Calculations of the ZPE for fractionally charged molecules show that the ZPE may have a minimum for fractional occupation. The calculations show that the internal reorganization energy and changes in the ZPE are of the same order of magnitude with different behavior as a function of the excess charge. The sum of the contributions might favor molecules with fractional occupation of the molecular units and partial delocalization of the excess electrons in solid-state materials also when considering Coulomb repulsion between the excess electrons. The fractional electrons are then coherently distributed on many molecules of the solid-state material forming a condensate of attracting electrons, which is crucial for the superconducting state

Attractive and repulsive interactions among methanol molecules in supercritical state investigated by Raman spectroscopy and perturbed hard-sphere theory.

Science.gov (United States)

Saitow, Ken-ichi; Sasaki, Jungo

2005-03-08

The short-range structure of supercritical methanol (CH(3)OH) is investigated by measuring the spontaneous Raman spectra of the C-O stretching mode. The spectra are obtained at a reduced temperature, T(r)=T/T(c)=1.02 (522.9 K), which permits the neat fluid to be studied isothermally as a function of density. As the density increases, the spectral peaks shift toward the lower energy side and the spectra broaden. In the supercritical region, the amount of shifting shows nonlinear density dependence and the width becomes anomalously large. We use the perturbed hard-sphere model to analyze these density dependencies along the vibrational coordinate. The amount of shifting is decomposed into attractive and repulsive components, and the changes in attractive and repulsive energies are evaluated as functions of density and packing fraction, both of which are continuously varied by a factor of 120. Here we show that the shift amount consists principally of the attractive component at all densities, since the attractive energy is about eight times the repulsive energy. The density dependence of the widths is analyzed by calculating homogeneous and inhomogeneous widths as a function of density. The results show that, although vibrational dephasing and density inhomogeneity contribute similarly to the width at low and middle densities, at high density the main contributor turns out to be the vibrational dephasing. We estimate the local density enhancements of supercritical CH(3)OH as function of bulk density by two methods. The results of these analyses show common features, and both the estimated local density enhancements of CH(3)OH are considerably larger than the local density enhancements of simple fluids, i.e., those having nonhydrogen bonding. It is revealed that the local density of supercritical CH(3)OH is 40%-60% greater than the local densities of the simple fluids. We also estimate the local density fluctuation using the obtained values of attractive shift

An energy recovery electron linac-on-ring collider

International Nuclear Information System (INIS)

Merminga, L.; Krafft, G.A.; Lebedev, V.A.; Ben-Zvi, I.

2000-01-01

We present the design of high-luminosity electron-proton/ion colliders in which the electrons are produced by an Energy Recovering Linac (ERL). Electron-proton/ion colliders with center of mass energies between 14 GeV and 100 GeV (protons) or 63 GeV/A (ions) and luminosities at the 10 33 (per nucleon) level have been proposed recently as a means for studying hadronic structure. The linac-on-ring option presents significant advantages with respect to: (1) spin manipulations (2) reduction of the synchrotron radiation load in the detectors (3) a wide range of continuous energy variability. Rf power and beam dump considerations require that the electron linac recover the beam energy. Based on extrapolations from actual measurements and calculations, energy recovery is expected to be feasible at currents of a few hundred mA and multi-GeV energies. Luminosity projections for the linac-ring scenario based on fundamental limitations are presented. The feasibility of an energy recovery electron linac-on-proton ring collider is investigated and four conceptual point designs are shown corresponding to electron to proton energies of: 3 GeV on 15 GeV, 5 GeV on 50 GeV and 10 GeV on 250 GeV, and for gold ions with 100 GeV/A. The last two designs assume that the protons or ions are stored in the existing RHIC accelerator. Accelerator physics issues relevant to proton rings and energy recovery linacs are discussed and a list of required R and D for the realization of such a design is presented

Electron energy-loss spectroscopy

International Nuclear Information System (INIS)

Egerton, R.

1997-01-01

As part of the commemorative series of articles to mark the hundredth anniversary of the discovery of the electron, this article discusses electron energy-loss spectroscopy. The physical and chemical properties of materials can be studied by considering the energy that electrons use as they travel through a solid, often in conjunction with other analytical techniques. The technique is often combined with electron diffraction and high-resolution imaging and can be used to provide elemental identification down to the atomic scale. (UK)

Technology and application of two sets of industrial electron accelerators

International Nuclear Information System (INIS)

Hua Degen

2000-01-01

The radiation industry in China Academy of Engineering Physics (CAEP) has had a big scale, and the two sets of industrial electron accelerators play important roles. The Electron Processing System (E.P.S), which was introduced in 1987, is a powerful electron accelerator. And the 10 MeV Accelerator, which is a traveling wave linear electron accelerator, has the higher electron energy. Both of the stes are equipped the driving devices under the beam, and has made a considerable economic results. This article describes the technology and application of the two electron accelerators. (author)

Two-dimensional electronic femtosecond stimulated Raman spectroscopy

Directory of Open Access Journals (Sweden)

Ogilvie J.P.

2013-03-01

Full Text Available We report two-dimensional electronic spectroscopy with a femtosecond stimulated Raman scattering probe. The method reveals correlations between excitation energy and excited state vibrational structure following photoexcitation. We demonstrate the method in rhodamine 6G.

Energy spectra variations of high energy electrons in magnetic storms observed by ARASE and HIMAWARI

Science.gov (United States)

Takashima, T.; Higashio, N.; Mitani, T.; Nagatsuma, T.; Yoshizumi, M.

2017-12-01

The ARASE spacecraft was launched in December 20, 2016 to investigate mechanisms for acceleration and loss of relativistic electrons in the radiation belts during space storms. The six particle instruments with wide energy range (a few eV to 10MeV) are onboard the ARASE spacecraft. Especially, two particle instruments, HEP and XEP observe high energy electron with energy range from 70keV to over 10Mev. Those instruments observed several geomagnetic storms caused by coronal hole high speed streams or coronal mass ejections from March in 2017. The relativistic electrons in the outer radiation belt were disappeared/increased and their energy spectra were changed dynamically in some storms observed by XEP/HEP onboard the ARASE spacecraft. In the same time, SEDA-e with energy range 200keV-4.5MeV for electron on board the HIMAWARI-8, Japanese weather satellite on GEO, observed increase of relativistic electron in different local time. We will report on energy spectra variations of high energy electrons including calibrations of differential flux between XEP and HEP and discuss comparisons with energy spectra between ARAE and HIMAWARI that observed each storm in different local time.

Electron-energy deposition in skin and thermoluminescence dosimeters

International Nuclear Information System (INIS)

Mei, G.T.Y.

1986-01-01

The primary object of this study was to investigate the relations between dosimeter response and skin dose resulting from beta-particle irradiation. This object was achieved by combining evaluation of beta-source energy spectra, calculation of flux energy spectra, and employment of a Monte-Carlo electron-transport computer program for determination of depth-dose distribution in multislab geometries. Intermediate results from three steps of evaluation were compared individually with experimental data or with other theoretical results and showed excellent agreement. The combined method is applicable for the electron agreement. The combined method is applicable for the electron energy range of 1 keV to 5 MeV for both monoenergetic electrons and energy-distributed electrons. Determination of dosimeter response - skin dose relationships for homogeneous atmospheric beta-particle sources and for two specific configurations of LiF TLD's have been carried out in this study. Information based on these calculations is of value in designing beta-particle dosimeters as well as in assessing potential occupational and public health risks associated with the nuclear power industry

Self-energy behavior away from the Fermi surface in doped Mott insulators.

Science.gov (United States)

Merino, J; Gunnarsson, O; Kotliar, G

2016-02-03

We analyze self-energies of electrons away from the Fermi surface in doped Mott insulators using the dynamical cluster approximation to the Hubbard model. For large onsite repulsion, U, and hole doping, the magnitude of the self-energy for imaginary frequencies at the top of the band ([Formula: see text]) is enhanced with respect to the self-energy magnitude at the bottom of the band ([Formula: see text]). The self-energy behavior at these two [Formula: see text]-points is switched for electron doping. Although the hybridization is much larger for (0, 0) than for [Formula: see text], we demonstrate that this is not the origin of this difference. Isolated clusters under a downward shift of the chemical potential, [Formula: see text], at half-filling reproduce the overall self-energy behavior at (0, 0) and [Formula: see text] found in low hole doped embedded clusters. This happens although there is no change in the electronic structure of the isolated clusters. Our analysis shows that a downward shift of the chemical potential which weakly hole dopes the Mott insulator can lead to a large enhancement of the [Formula: see text] self-energy for imaginary frequencies which is not associated with electronic correlation effects, even in embedded clusters. Interpretations of the strength of electronic correlations based on self-energies for imaginary frequencies are, in general, misleading for states away from the Fermi surface.

Magnetic energy analyser for slow electrons

International Nuclear Information System (INIS)

Limberg, W.

1974-08-01

A differential spectrometer with high time and energy resolution has been developed using the principle of energy analysis with a longitudinal homogeneous magnetic field. This way it is possible to measure the energy distribution of low energy electrons (eV-range) in the presence of high energy electrons without distortions by secondary electrons. The functioning and application of the analyzer is demonstrated by measuring the energy distributions of slow electrons emitted by a filament. (orig.) [de

A soundtrack between allurement and repulsion

DEFF Research Database (Denmark)

Have, Iben

2011-01-01

By mixing industrial, metallic sounds and organic, throaty sounds, Kitchen Sink creates an acoustic universe which is at once repulsive and alluring. The article takes a phenomenological and deep listening approach to investigate how the soundtrack of Kitchen Sink contributes to the ambiguous...... narrative of the film....

Two-stage free electron laser research

Science.gov (United States)

Segall, S. B.

1984-10-01

KMS Fusion, Inc. began studying the feasibility of two-stage free electron lasers for the Office of Naval Research in June, 1980. At that time, the two-stage FEL was only a concept that had been proposed by Luis Elias. The range of parameters over which such a laser could be successfully operated, attainable power output, and constraints on laser operation were not known. The primary reason for supporting this research at that time was that it had the potential for producing short-wavelength radiation using a relatively low voltage electron beam. One advantage of a low-voltage two-stage FEL would be that shielding requirements would be greatly reduced compared with single-stage short-wavelength FEL's. If the electron energy were kept below about 10 MeV, X-rays, generated by electrons striking the beam line wall, would not excite neutron resonance in atomic nuclei. These resonances cause the emission of neutrons with subsequent induced radioactivity. Therefore, above about 10 MeV, a meter or more of concrete shielding is required for the system, whereas below 10 MeV, a few millimeters of lead would be adequate.

Crossover from phonon-mediated to repulsion-induced superconducting pairing with large momentum

International Nuclear Information System (INIS)

Belyavsky, V.I.; Kopaev, Yu.V.; Nguyen, N.T.; Togushova, Yu.N.

2005-01-01

There are asymmetric and symmetric solutions of the self-consistency equation which takes into account both phonon-mediated and Coulomb pairing interactions. The first of them leads to the order parameter with a nodal line and, in the case of pairing with large momentum, exists at any repulsive and attractive strengths. The second one arises if the attraction exceeds a level depending on the repulsion strength and dominates the pairing in the strong attraction limit. The competition of attraction and repulsion results in unusual isotope-effect exponent observed in the cuprates

Phases and amplitudes for a modified repulsive Coulomb field

International Nuclear Information System (INIS)

Chidichimo, M.C.; Davison, T.S.

1990-01-01

The asymptotic form of the radial wave function for positive-energy states is calculated for the case of a repulsive Coulomb field. The cases of a pure Coulomb potential and a modified Coulomb potential are considered. Second-order analytic solutions for the amplitudes and phases are obtained when the modifications to the pure Coulombic potential take the form αr -2 +βr -3 +γr -4 , using the Jeffreys or WKB method. For the case of a pure Coulomb field, numerical results obtained from this method were compared with ''exact'' numerical results that were obtained using the analytic properties of the Coulomb wave functions. Tables are presented to show the conditions under which the method is accurate

electron energy-loss spectroscopy

International Nuclear Information System (INIS)

Egerton, R.

1997-01-01

As part of a commemorative series of articles to mark the hundredth anniversary of the discovery of the electron, this article describes the use of electron energy-loss spectroscopy. The physical and chemical properties of materials can be studied by considering the energy that electrons use as they travel through a solid, often in conjunction with other analytical techniques. The technique is often combined with electron diffraction and high-resolution imaging and can be used to provide elemental identification down to the atomic scale. 6 figs

Binding of two-electron metastable states in semiconductor quantum dots under a magnetic field

Science.gov (United States)

Garagiola, Mariano; Pont, Federico M.; Osenda, Omar

2018-04-01

Applying a strong enough magnetic field results in the binding of few-electron resonant states. The mechanism was proposed many years ago but its verification in laboratory conditions is far more recent. In this work we study the binding of two-electron resonant states. The electrons are confined in a cylindrical quantum dot which is embedded in a semiconductor wire. The geometry considered is similar to the one used in actual experimental setups. The low-energy two-electron spectrum is calculated numerically from an effective-mass approximation Hamiltonian modelling the system. Methods for binding threshold calculations in systems with one and two electrons are thoroughly studied; in particular, we use quantum information quantities to assess when the strong lateral confinement approximation can be used to obtain reliable low-energy spectra. For simplicity, only cases without bound states in the absence of an external field are considered. Under these conditions, the binding threshold for the one-electron case is given by the lowest Landau energy level. Moreover, the energy of the one-electron bounded resonance can be used to obtain the two-electron binding threshold. It is shown that for realistic values of the two-electron model parameters it is feasible to bind resonances with field strengths of a few tens of tesla.

Viscoelastic properties of attractive and repulsive colloidal glasses

International Nuclear Information System (INIS)

Puertas, Antonio M; Zaccarelli, Emanuela; Sciortino, Francesco

2005-01-01

We report a numerical study of the shear viscosity and the frequency dependent elastic moduli close to dynamical arrest for a model of short range attractive colloids, both for the repulsive and the attractive glass transition. Calculating the stress autocorrelation functions, we find that density fluctuations of wavevectors close to the first peak in the structure factor control the viscosity rise on approaching the repulsive glass, while fluctuations of larger wavevectors control the viscosity close to the attractive glass. On approaching the glass transition, the viscosity diverges with a power law with the same exponent as the density autocorrelation time. (letter to the editor)

Secondary electron emission studied by secondary electron energy loss coincidence spectroscopy (SE2ELCS)

International Nuclear Information System (INIS)

Khalid, R.

2013-01-01

Emission of secondary electrons is of importance in many branches of fundamental and applied science. It is widely applied in the electron microscope for the investigation of the structure and electronic state of solid surfaces and particle detection in electron multiplier devices, and generally it is related to the energy dissipation of energetic particles moving inside a solid. The process of secondary electron emission is a complex physical phenomenon, difficult to measure experimentally and treat theoretically with satisfactory accuracy. The secondary electron spectrum measured with single electron spectroscopy does not provide detailed information of the energy loss processes responsible for the emission of secondary electrons. This information can be accessed when two correlated electron pairs are measured in coincidence and the pair consists of a backscattered electron after a given energy loss and a resulting emitted secondary electron. To investigate the mechanisms responsible for the emission of secondary electrons, a reflection (e,2e) coincidence spectrometer named Secondary Electron Electron Energy Loss Coincidence Spectrometer (SE2ELCS) has been developed in the framework of this thesis which allows one to uncover the relation between the features in the spectra which are due to energy losses and true secondary electron emission structures. The correlated electron pairs are measured with a hemispherical mirror analyzer (HMA) and a time of flight analyzer (TOF) by employing a continuous electron beam. An effort has been made to increase the coincidence count rate by increasing the effective solid angle of the TOF analyzer and optimizing the experimental parameters to get optimum energy resolution. Double differential coincidence spectra for a number of materials namely, nearly free electron metals (Al, Si), noble metals (Ag, Au, Cu, W) and highly oriented pyrolytic graphite (HOPG) have been measured using this coincidence spectrometer. The

Photoelectron spectra as a probe of double-core resonsance in two-electron atoms

International Nuclear Information System (INIS)

Grobe, R.; Haan, S.L.; Eberly, J.H.

1996-01-01

The authors calculate photoelectron spectra for a two-electron atom under the influence of two external driving fields, using an essential states formalism. They focus on the regime of so-called coherence transfer, in which electron-electron correlation transfers field-induced photo-coherence from one electron to the other. In the case studied here, two laser fields are resonant with coupled atomic transitions, in the manner familiar from three-level dark-state spectroscopy. Dynamical two electron effects are monitored via the photoelectron energy spectrum. The authors show that the distribution of the photoelectron energies can be singly, doubly or triply peaked depending on the relative laser intensities. The electron spectra are independent of the turn-on sequence of the fields

Ce3+ 5d-centroid shift and vacuum referred 4f-electron binding energies of all lanthanide impurities in 150 different compounds

International Nuclear Information System (INIS)

Dorenbos, Pieter

2013-01-01

A review on the wavelengths of all five 4f–5d transitions for Ce 3+ in about 150 different inorganic compounds (fluorides, chlorides, bromides, iodides, oxides, sulfides, selenides, nitrides) is presented. It provides data on the centroid shift and the crystal field splitting of the 5d-configuration which are then used to estimate the Eu 2+ inter 4f-electron Coulomb repulsion energy U(6,A) in compound A. The four semi-empirical models (the redshift model, the centroid shift model, the charge transfer model, and the chemical shift model) on lanthanide levels that were developed past 12 years are briefly reviewed. It will be demonstrated how those models together with the collected data of this work and elsewhere can be united to construct schemes that contain the binding energy of electrons in the 4f and 5d states for each divalent and each trivalent lanthanide ion relative to the vacuum energy. As example the vacuum referred binding energy schemes for LaF 3 and La 2 O 3 will be constructed. - Highlights: ► An compilation on all five Ce 3+ 4f–5d energies in 150 inorganic compounds is presented. ► The relationship between the 5d centroid shift and host cation electronegativity id demonstrated. ► The electronic structure scheme of the lanthanides in La 2 O 3 and LaF 3 is presented.

NaI(Tl) electron energy resolution

CERN Document Server

Mengesha, W

2002-01-01

NaI(Tl) electron energy resolution eta sub e was measured using the Modified Compton Coincidence Technique (MCCT). The MCCT allowed detection of nearly monoenergetic internal electrons resulting from the scattering of incident 662 keV gamma rays within a primary NaI(Tl) detector. Scattered gamma rays were detected using a secondary HPGe detector in a coincidence mode. Measurements were carried out for electron energies ranging from 16 to 438 keV, by varying the scattering angle. Measured HPGe coincidence spectra were deconvolved to determine the scattered energy spectra from the NaI(Tl) detector. Subsequently, the NaI(Tl) electron energy spectra were determined by subtracting the energy of scattered spectra from the incident source energy (662 keV). Using chi-squared minimization, iterative deconvolution of the internal electron energy spectra from the measured NaI(Tl) spectra was then used to determine eta sub e at the electron energy of interest. eta sub e values determined using this technique represent va...

Electron surfing acceleration by the electron two-stream instability in a weak magnetic field

International Nuclear Information System (INIS)

Dieckmann, M E; Shukla, P K

2006-01-01

The thermalization of relativistically flowing colliding plasmas is not well understood. The transition layer, in which both plasmas interact and thermalize, is wide and highly structured and the instabilities in this layer may yield non-thermal particle distributions and shock-less energy dissipation. The objective in this work is to explore the ability of an electron two-stream instability for thermalizing a plasma beam that moves at the mildly relativistic speed 0.3c through weakly magnetized plasma and to identify the resulting particle distributions. It is demonstrated here with particle-in-cell simulations that the electron two-stream instability leads to waves that propagate within a wide angular range relative to the flow velocity. The waves are thus not planar, as required for efficient electron surfing acceleration (ESA). The short lifetime of the waves implies, however, only weak modifications of the ESA by the oblique modes, since the waves are sufficiently homogeneous. The ion (proton) beams are not modulated, which would be required to extract some of their energy. The instability can thus heat the electrons significantly, but it fails to accelerate them to relativistic energies and it cannot form a shock layer by thermalizing the protons, at least not for the system and the resolved timescales considered here

Electron surfing acceleration by the electron two-stream instability in a weak magnetic field

Energy Technology Data Exchange (ETDEWEB)

Dieckmann, M E; Shukla, P K [Institut fuer Theoretische Physik IV, Ruhr-Universitaet Bochum, D-44780 Bochum (Germany)

2006-10-15

The thermalization of relativistically flowing colliding plasmas is not well understood. The transition layer, in which both plasmas interact and thermalize, is wide and highly structured and the instabilities in this layer may yield non-thermal particle distributions and shock-less energy dissipation. The objective in this work is to explore the ability of an electron two-stream instability for thermalizing a plasma beam that moves at the mildly relativistic speed 0.3c through weakly magnetized plasma and to identify the resulting particle distributions. It is demonstrated here with particle-in-cell simulations that the electron two-stream instability leads to waves that propagate within a wide angular range relative to the flow velocity. The waves are thus not planar, as required for efficient electron surfing acceleration (ESA). The short lifetime of the waves implies, however, only weak modifications of the ESA by the oblique modes, since the waves are sufficiently homogeneous. The ion (proton) beams are not modulated, which would be required to extract some of their energy. The instability can thus heat the electrons significantly, but it fails to accelerate them to relativistic energies and it cannot form a shock layer by thermalizing the protons, at least not for the system and the resolved timescales considered here.

Two dimensional CCD [charged coupled device] arrays as parallel detectors in electron energy loss and x-ray wavelength dispersive spectroscopy

International Nuclear Information System (INIS)

Zaluzec, N.J.

1988-08-01

Parallel detection systems for spectroscopy have generally been based upon linear detector arrays. Replacing the linear arrays with two dimensional systems yields more complicated devices; however, there are corresponding benefits which can be realized for both x-ray and electron energy loss spectroscopy. The operational design of these systems, as well as preliminary results from the construction of such a device used for electron spectroscopy, are presented. 10 refs., 8 figs

Lefschetz thimbles in fermionic effective models with repulsive vector-field

Science.gov (United States)

Mori, Yuto; Kashiwa, Kouji; Ohnishi, Akira

2018-06-01

We discuss two problems in complexified auxiliary fields in fermionic effective models, the auxiliary sign problem associated with the repulsive vector-field and the choice of the cut for the scalar field appearing from the logarithmic function. In the fermionic effective models with attractive scalar and repulsive vector-type interaction, the auxiliary scalar and vector fields appear in the path integral after the bosonization of fermion bilinears. When we make the path integral well-defined by the Wick rotation of the vector field, the oscillating Boltzmann weight appears in the partition function. This "auxiliary" sign problem can be solved by using the Lefschetz-thimble path-integral method, where the integration path is constructed in the complex plane. Another serious obstacle in the numerical construction of Lefschetz thimbles is caused by singular points and cuts induced by multivalued functions of the complexified scalar field in the momentum integration. We propose a new prescription which fixes gradient flow trajectories on the same Riemann sheet in the flow evolution by performing the momentum integration in the complex domain.

Electron scattering and correlation structure of light nuclei

International Nuclear Information System (INIS)

Lodhi, M.A.K.

1976-01-01

It has been known for some time that the short-range correlations due to the repulsive part of the nuclear interaction is exhibited in the nuclear form factors as obtained from high energy electron scattering. In this work the harmonic oscillator basis functions are used. The nuclear form factors as obtained from elastic electron scattering are calculated, with Jastrow's technique by means of the cluster expansion of Iwamoto Yamada, in the Born approximation. The correlated wave function is given. The results for nuclear form factors calculated with the wave function are presented for some light nuclei. (Auth.)

Can Low Energy Electrons Affect High Energy Physics Accelerators?

International Nuclear Information System (INIS)

Cimino, Roberto

2004-01-01

The properties of the electrons participating in the build up of an electron cloud (EC) inside the beam-pipe have become an increasingly important issue for present and future accelerators whose performance may be limited by this effect. The EC formation and evolution are determined by the wall-surface properties of the accelerator vacuum chamber. Thus, the accurate modeling of these surface properties is an indispensible input to simulation codes aimed at the correct prediction of build-up thresholds, electron-induced instability or EC heat load. In this letter, we present the results of surface measurements performed on a prototype of the beam screen adopted for the Large Hadron Collider (LHC), which presently is under construction at CERN. We have measured the total secondary electron yield (SEY) as well as the related energy distribution curves (EDC) of the secondary electrons as a function of incident electron energy. Attention has been paid, for the first time in this context, to the probability at which low-energy electrons (<∼ 20 eV) impacting on the wall create secondaries or are elastically reflected. It is shown that the ratio of reflected to true-secondary electrons increases for decreasing energy and that the SEY approaches unity in the limit of zero primary electron energy

Desorption of H atoms from graphite (0001) using XUV free electron laser pulses

DEFF Research Database (Denmark)

Siemer, B.; Olsen, Thomas; Hoger, T.

2010-01-01

The desorption of neutral H atoms from graphite with femtosecond XUV pulses is reported. The velocity distribution of the atoms peaks at extremely low kinetic energies. A DFT-based electron scattering calculation traces this distribution to desorption out of specific adsorption sites on graphite......, and identifies the highest vibrational state in the adsorbate potential as a major source for the slow atoms. It is evident that multiple electron scattering processes are required for this desorption. A direct electronic excitation of a repulsive hydrogen-carbon bond seems not to be important....

Analytic approach to auroral electron transport and energy degradation

International Nuclear Information System (INIS)

Stamnes, K.

1980-01-01

The interaction of a beam of auroral electrons with the atmosphere is described by the linear transport equation, encompassing discrete energy loss, multiple scattering, and secondary electrons. A solution to the transport equation provides the electron intensity as a function of altitude, pitch angle (with respect to the geomagnetic field) and energy. A multi-stream (discrete ordinate) approximation to the transport equation is developed. An analytic solution is obtained in this approximation. The computational scheme obtained by combining the present transport code with the energy degradation method of Swartz (1979) conserves energy identically. The theory provides a framework within which angular distributions can be easily calculated and interpreted. Thus, a detailed study of the angular distributions of 'non-absorbed' electrons (i.e., electrons that have lost just a small fraction of their incident energy) reveals a systematic variation with incident angle and energy, and with penetration depth. The present approach also gives simple yet accurate solutions in low order multi-stream approximations. The accuracy of the four-stream approximation is generally within a few per cent, whereas two-stream results for backscattered mean intensities and fluxes are accurate to within 10-15%. (author)

Two types of charge transfer excitations in low dimensional cuprates: an electron energy-loss study

Czech Academy of Sciences Publication Activity Database

Knupfer, M.; Fink, J.; Drechsler, S.-L.; Hayn, R.; Málek, Jiří; Moskvin, A.S.

137-140, - (2004), s. 469-473 ISSN 0368-2048 Institutional research plan: CEZ:AV0Z1010914 Keywords : cuprates * electronic excitations * electron energy-loss spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.069, year: 2004

Pattern formation in annular systems of repulsive particles

International Nuclear Information System (INIS)

Marschler, Christian; Starke, Jens; Sørensen, Mads P.; Gaididei, Yuri B.; Christiansen, Peter L.

2016-01-01

General particle models with symmetric and asymmetric repulsion are studied and investigated for finite-range and exponential interaction in an annulus. In the symmetric case transitions from one- to multi-lane behavior including multistability are observed for varying particle density and for a varying curvature with fixed density. Hence, the system cannot be approximated by a periodic channel. In the asymmetric case, which is important in pedestrian dynamics, we reveal an inhomogeneous new phase, a traveling wave reminiscent of peristaltic motion. - Highlights: • An asymmetrically interacting repulsive particle model is introduced. • Multi-stability is found in a pedestrian dynamics model. • Transitions from one- to multi-lane behavior are studied numerically.

Repulsive four-body interactions of α particles and quasistable nuclear α -particle condensates in heavy self-conjugate nuclei

Science.gov (United States)

Bai, Dong; Ren, Zhongzhou

2018-05-01

We study the effects of repulsive four-body interactions of α particles on nuclear α -particle condensates in heavy self-conjugate nuclei using a semianalytic approach, and find that the repulsive four-body interactions could decrease the critical number of α particles, beyond which quasistable α -particle condensate states can no longer exist, even if these four-body interactions make only tiny contributions to the total energy of the Hoyle-like state of 16O. Explicitly, we study eight benchmark parameter sets, and find that the critical number Ncr decreases by |Δ Ncr|˜1 -4 from Ncr˜11 with vanishing four-body interactions. We also discuss the effects of four-body interactions on energies and radii of α -particle condensates. Our study can be useful for future experiments to study α -particle condensates in heavy self-conjugate nuclei. Also, the experimental determination of Ncr will eventually help establish a better understanding on the α -particle interactions, especially the four-body interactions.

Diffraction of high energy electrons

International Nuclear Information System (INIS)

Bourret, A.

1981-10-01

The diffraction of electrons by a crystal is examined to study its structure. As the electron-substance interaction is strong, it must be treated in a dynamic manner. Using the N waves theory and physical optics the base equations giving the wave at the outlet are deduced for a perfect crystal and their equivalence is shown. The more complex case of an imperfect crystal is then envisaged in these two approaches. In both cases, only the diffraction of high energy electrons ( > 50 KeV) are considered since in the diffraction of slow electrons back scattering cannot be ignored. Taking into account an increasingly greater number of beams, through fast calculations computer techniques, enables images to be simulated in very varied conditions. The general use of the Fast Fourier Transform has given a clear cut practical advantage to the multi-layer method [fr

Electron energy recovery system for negative ion sources

International Nuclear Information System (INIS)

Dagenhart, W.K.; Stirling, W.L.

1982-01-01

An electron energy recovery system for negative ion sources is provided. The system, employs crossed electric and magnetic fields to separate the electrons from ions as they are extracted from a negative ion source plasma generator and before the ions are accelerated to their full kinetic energy. With the electric and magnetic fields oriented 90* to each other, the electrons are separated from the plasma and remain at approximately the electrical potential of the generator in which they were generated. The electrons migrate from the ion beam path in a precessing motion out of the ion accelerating field region into an electron recovery region provided by a specially designed electron collector electrode. The electron collector electrode is uniformly spaced from a surface of the ion generator which is transverse to the direction of migration of the electrons and the two surfaces are contoured in a matching relationship which departs from a planar configuration to provide an electric field component in the recovery region which is parallel to the magnetic field thereby forcing the electrons to be directed into and collected by the electron collector electrode. The collector electrode is maintained at a potential slightly positive with respect to the ion generator so that the electrons are collected at a small fraction of the full accelerating supply voltage energy

Modulation transfer function and detective quantum efficiency of electron bombarded charge coupled device detector for low energy electrons

International Nuclear Information System (INIS)

Horacek, Miroslav

2005-01-01

The use of a thinned back-side illuminated charge coupled device chip as two-dimensional sensor working in direct electron bombarded mode at optimum energy of the incident signal electrons is demonstrated and the measurements of the modulation transfer function (MTF) and detective quantum efficiency (DQE) are described. The MTF was measured for energy of electrons 4 keV using an edge projection method and a stripe projection method. The decrease of the MTF for a maximum spatial frequency of 20.8 cycles/mm, corresponding to the pixel size 24x24 μm, is 0.75≅-2.5 dB, and it is approximately the same for both horizontal and vertical directions. DQE was measured using an empty image and the mixing factor method. Empty images were acquired for energies of electrons from 2 to 5 keV and for various doses, ranging from nearly dark image to a nearly saturated one. DQE increases with increasing energy of bombarded electrons and reaches 0.92 for electron energy of 5 keV. For this energy the detector will be used for the angle- and energy-selective detection of signal electrons in the scanning low energy electron microscope

Social dynamics in emergency evacuations: Disentangling crowd's attraction and repulsion effects

Science.gov (United States)

Haghani, Milad; Sarvi, Majid

2017-06-01

The social dynamics of crowds in emergency escape scenarios have been conventionally modelled as the net effect of virtual forces exerted by the crowd on each individual (as self-driven particles), with the magnitude of the influence formulated as decreasing functions of inter-individual distances and the direction of effect assumed to be transitioning from repulsion to attraction by distance. Here, we revisit this conventional assumption using laboratory experimental data. We show based on robust econometric hypothesis-testing methods that individuals' perception of other escapees differs based on whether those individuals are jamming around exit destinations or are on the move towards the destinations. Also, for moving crowds, it differs based on whether the escape destination chosen by the moving flow is visible or invisible to the individual. The presence of crowd jams around a destination, also the movement of crowd flows towards visible destinations are both perceived on average as repulsion (or disutility) effects (with the former showing significantly larger magnitude than the latter). The movement of crowd flows towards an invisible destination, however, is on average perceived as attraction (or utility) effect. Yet, further hypothesis testing showed that neither of those effects in isolation determines adequately whether an individual would merge with or diverge from the crowd. Rather, the social interaction factors act (at significant levels) in conjunction with the physical factors of the environments (including spatial distances to exit destinations and destinations' visibility). In brief, our finding disentangles the conditions under which individuals are more likely to show mass behaviour from the situations where they are more likely to break from the herd. It identifies two factors that moderate the perception of social interactions, ;crowds' jam/movement status; and ;environmental setup;. Our results particularly challenge the taxonomy of

Occupation number dependence of molecular energy levels

International Nuclear Information System (INIS)

Giambiagi, M.S. de; Giambiagi, M.; Ferreira, R.

1977-08-01

The Roothaan expression for the energy of a closed-shell molecular system is generalized in order to apply to open shells. A continuous variation from 0 to 2 is supposed for each level's occupation number, extending to this range tbe correction due to the spurious repulsion appearing in the half-electron method. The characteristic equations of the Xα method are applied to the energy expressions. The one level case is discussed in detail. Ionic and excited states of the 1,3 transbutadiene π system are analyzed

Crossing Over from Attractive to Repulsive Interactions in a Tunneling Bosonic Josephson Junction.

Science.gov (United States)

Spagnolli, G; Semeghini, G; Masi, L; Ferioli, G; Trenkwalder, A; Coop, S; Landini, M; Pezzè, L; Modugno, G; Inguscio, M; Smerzi, A; Fattori, M

2017-06-09

We explore the interplay between tunneling and interatomic interactions in the dynamics of a bosonic Josephson junction. We tune the scattering length of an atomic ^{39}K Bose-Einstein condensate confined in a double-well trap to investigate regimes inaccessible to other superconducting or superfluid systems. In the limit of small-amplitude oscillations, we study the transition from Rabi to plasma oscillations by crossing over from attractive to repulsive interatomic interactions. We observe a critical slowing down in the oscillation frequency by increasing the strength of an attractive interaction up to the point of a quantum phase transition. With sufficiently large initial oscillation amplitude and repulsive interactions, the system enters the macroscopic quantum self-trapping regime, where we observe coherent undamped oscillations with a self-sustained average imbalance of the relative well population. The exquisite agreement between theory and experiments enables the observation of a broad range of many body coherent dynamical regimes driven by tunable tunneling energy, interactions and external forces, with applications spanning from atomtronics to quantum metrology.

Power electronics - key technology for renewable energy systems

DEFF Research Database (Denmark)

Blaabjerg, Frede; Iov, Florin; Kerekes, Tamas

2011-01-01

sources to renewable energy sources. Another is to use high efficient power electronics in power generation, power transmission/distribution and end-user application. This paper discuss trends of the most emerging renewable energy sources, wind energy and photovoltaics, which by means of power electronics...... as efficient as possible. Further, the emerging climate changes is arguing to find sustainable future solutions. Of many options, two major technologies will play important roles to solve parts of those future problems. One is to change the electrical power production from conventional, fossil based energy......The electrical energy consumption continues to grow and more applications are based on electricity. We can expect that more 60% of all energy consumption will be converted and used as electricity. Therefore, it is a demand that production, distribution and use of electrical energy are done...

Direct Observation of Energy Detrapping in LH1-RC Complex by Two-Dimensional Electronic Spectroscopy.

Science.gov (United States)

Ma, Fei; Yu, Long-Jiang; Hendrikx, Ruud; Wang-Otomo, Zheng-Yu; van Grondelle, Rienk

2017-01-18

The purple bacterial core light harvesting antenna-reaction center (LH1-RC) complex is the simplest system able to achieve the entire primary function of photosynthesis. During the past decade, a variety of photosynthetic proteins were studied by a powerful technique, two-dimensional electronic spectroscopy (2DES). However, little attention has been paid to LH1-RC, although its reversible uphill energy transfer, trapping, and backward detrapping processes, represent a crucial step in the early photosynthetic reaction dynamics. Thus, in this work, we employed 2DES to study two LH1-RC complexes of Thermochromatium (Tch.) tepidum. By direct observation of detrapping, the complex reversible process was clearly identified and an overall scheme of the excitation evolution in LH1-RC was obtained.

S-Matrix theory of laser-induced nonsequential double ionization: from electron-electron dynamics to absolute-phase diagnosis

International Nuclear Information System (INIS)

Figueira de Morisson Faria, C.; Sanpera, A.; Lewenstein, M.; Schomerus, H.; Liu, X.; Becker, W.

2005-01-01

Full text: We provide a summarizing account of a series of investigations, in which laser-induced nonsequential double ionization (NSDI) is described as the inelastic collision of an electron with its parent ion, and treated quantummechanically, within the strong-field approximation. In particular, we employ a specific uniform saddle-point approximation whose only validity requirement is that the saddles occur in pairs. As a first step, we address the question of how the type of the interaction by which the second electron is dislodged, as well as final-state electron-electron repulsion, influences the NDSI differential electron momentum distributions. We found that a contact-type interaction and uncorrelated final electron states yields the best agreement with the experimental results, namely circular-shaped distributions peaked at p 1II = p 2II = ±2 √U p , where p nII (n = 1,2) denotes the electron momentum components parallel to the laser-field polarization and U p the ponderomotive energy. Final-state repulsion leads to a broadening in such distributions, with respect to p 1II = p 2II , whereas a Coulomb-type interaction favors unequal momenta. The influence of the interaction and of final-state electron-electron repulsion is most extreme if at least one of the transverse momentum components is kept small, while, for large transverse momenta, different types of interaction or two-electron final states lead to minor discrepancies. In all cases, we obtain very similar results as compared to a classical ensemble computation, in which electrons are released with a quasi-static tunneling rate, apart from minor differences near the boundary of the momentum region for which the collision process in question is classically allowed. Such results suggest that the residual ion has a strong influence on the dynamics of both electrons in NSDI, screening the long-range interaction and the final-state Coulomb repulsion. This interpretation is strengthened by more recent

Electron Linacs for High Energy Physics

International Nuclear Information System (INIS)

Wilson, Perry B.

2011-01-01

The purpose of this article is to introduce some of the basic physical principles underlying the operation of electron linear accelerators (electron linacs). Electron linacs have applications ranging from linacs with an energy of a few MeV, such that the electrons are approximately relativistic, to future electron-positron linear colliders having a collision energy in the several-TeV energy range. For the most part, only the main accelerating linac is treated in this article.

Noncomparative scaling of aromaticity through electron itinerancy

International Nuclear Information System (INIS)

Paul, Satadal; Goswami, Tamal; Misra, Anirban

2015-01-01

Aromaticity is a multidimensional concept and not a directly observable. These facts have always stood in the way of developing an appropriate theoretical framework for scaling of aromaticity. In the present work, a quantitative account of aromaticity is developed on the basis of cyclic delocalization of π-electrons, which is the phenomenon leading to unique features of aromatic molecules. The stabilization in molecular energy, caused by delocalization of π-electrons is obtained as a second order perturbation energy for archetypal aromatic systems. The final expression parameterizes the aromatic stabilization energy in terms of atom to atom charge transfer integral, onsite repulsion energy and the population of spin orbitals at each site in the delocalized π-electrons. An appropriate computational platform is framed to compute each and individual parameter in the derived equation. The numerical values of aromatic stabilization energies obtained for various aromatic molecules are found to be in close agreement with available theoretical and experimental reports. Thus the reliable estimate of aromaticity through the proposed formalism renders it as a useful tool for the direct assessment of aromaticity, which has been a long standing problem in chemistry

Electronic transport of molecular nanowires by considering of electron hopping energy between the second neighbors

Directory of Open Access Journals (Sweden)

H Rabani

2015-07-01

Full Text Available In this paper, we study the electronic conductance of molecular nanowires by considering the electron hopping between the first and second neighbors with the help Green’s function method at the tight-binding approach. We investigate three types of structures including linear uniform and periodic chains as well as poly(p-phenylene molecule which are embedded between two semi-infinite metallic leads. The results show that in the second neighbor approximation, the resonance, anti-resonance and Fano phenomena occur in the conductance spectra of these structures. Moreover, a new gap is observed at edge of the lead energy band wich its width depends on the value of the electron hopping energy between the second neighbors. In the systems including intrinsic gap, this hopping energy shifts the gap in the energy spectra.

Electron impact ionization of heavy ions: some surprises

International Nuclear Information System (INIS)

Younger, S.M.

1986-01-01

This paper reports the results of calculations of electron impact ionization cross sections for a variety of heavy ions using a distorted wave Born-exchange approximation. The target is described by a Hartree-Fock wavefunction. The scattering matrix element is represented by a triple partial wave expansion over incident, scattered, and ejected (originally bound) continuum states. These partial waves are computed in the potentials associated with the initial target (incident and scattered waves) and the residual ion (ejected waves). A Gauss integration was performed over the distribution of energy between the two final state continuum electrons. For ionization of closed d- and f-subshells, the ejected f-waves were computed in frozen-core term-dependent Hartree-Fock potentials, which include the strong repulsive contribution in singlet terms which arises from the interaction of an excited orbital with an almost closed shell. Ground state correlation was included in some calculations of ionization of d 10 subshells

Higher energy dissociative electron attachment cross sections in sulfur dioxide

International Nuclear Information System (INIS)

Kurepa, M.; Pejcev, V.; Cadez, I.

2000-01-01

Experimental results of total electron attachment cross sections are presented with, for comparison, two additional sets of data, those of Orient and Srivastava and of Spyrou et al.. Both were normalized to present values of the first attachment peak at 4,6 eV, in order to show more clearly differences in cross section curve shapes. In fact, data of Orient and Srivastava are larger that the present ones for a factor of 2,82; while those of Spyrou et al. are higher only for 3,70 %. Both these sets of data, as well as those by Cadez et al., cover an incident electron energy range 3,40 - 9,40 eV. Electron attachment processes at energies higher that 9,40 eV have been in fact detected and measured in the same set of experiments that led to former publication of lower energy attachment processes by Cadez et al.. At that time in none of experiments, that could distinguished ionic species formed in dissociation attachment processes, was a sign of ions at incident electron energies exceeding 9,40 eV. That caused our ignorance toward processes detected and measured at higher incident electron energies, mainly since they were at least one order of magnitude lower that the two peaks at 4,6 eV and 7,3 eV, respectively. Without additional experiments, that include mass analysis of ionic species formed in dissociative electron attachment processes, it is not possible to give any sound explanation to causes of peaks at energies higher that 8,0 eV

Nanoscale Energy-Filtered Scanning Confocal Electron Microscopy Using a Double-Aberration-Corrected Transmission Electron Microscope

International Nuclear Information System (INIS)

Wang Peng; Behan, Gavin; Kirkland, Angus I.; Nellist, Peter D.; Takeguchi, Masaki; Hashimoto, Ayako; Mitsuishi, Kazutaka; Shimojo, Masayuki

2010-01-01

We demonstrate that a transmission electron microscope fitted with two spherical-aberration correctors can be operated as an energy-filtered scanning confocal electron microscope. A method for establishing this mode is described and initial results showing 3D chemical mapping with nanoscale sensitivity to height and thickness changes in a carbon film are presented. Importantly, uncorrected chromatic aberration does not limit the depth resolution of this technique and moreover performs an energy-filtering role, which is explained in terms of a combined depth and energy-loss response function.

Computation of the average energy for LXY electrons

International Nuclear Information System (INIS)

Grau Carles, A.; Grau, A.

1996-01-01

The application of an atomic rearrangement model in which we only consider the three shells K, L and M, to compute the counting efficiency for electron capture nuclides, requires a fine averaged energy value for LMN electrons. In this report, we illustrate the procedure with two example, ''125 I and ''109 Cd. (Author) 4 refs

Tunable Electron-Electron Interactions in LaAlO_{3}/SrTiO_{3} Nanostructures

Directory of Open Access Journals (Sweden)

Guanglei Cheng

2016-12-01

Full Text Available The interface between the two complex oxides LaAlO_{3} and SrTiO_{3} has remarkable properties that can be locally reconfigured between conducting and insulating states using a conductive atomic force microscope. Prior investigations of “sketched” quantum dot devices revealed a phase in which electrons form pairs, implying a strongly attractive electron-electron interaction. Here, we show that these devices with strong electron-electron interactions can exhibit a gate-tunable transition from a pair-tunneling regime to a single-electron (Andreev bound state tunneling regime where the interactions become repulsive. The electron-electron interaction sign change is associated with a Lifshitz transition where the d_{xz} and d_{yz} bands start to become occupied. This electronically tunable electron-electron interaction, combined with the nanoscale reconfigurability of this system, provides an interesting starting point towards solid-state quantum simulation.

Nonequilibrium Transport and the Bernoulli Effect of Electrons in a Two-Dimensional Electron Gas

Science.gov (United States)

Kaya, Ismet I.

2013-02-01

Nonequilibrium transport of charged carriers in a two-dimensional electron gas is summarized from an experimental point of view. The transport regime in which the electron-electron interactions are enhanced at high bias leads to a range of striking effects in a two-dimensional electron gas. This regime of transport is quite different than the ballistic transport in which particles propagate coherently with no intercarrier energy transfer and the diffusive transport in which the momentum of the electron system is lost with the involvement of the phonons. Quite a few hydrodynamic phenomena observed in classical gasses have the electrical analogs in the current flow. When intercarrier scattering events dominate the transport, the momentum sharing via narrow angle scattering among the hot and cold electrons lead to negative resistance and electron pumping which can be viewed as the analog of the Bernoulli-Venturi effect observed classical gasses. The recent experimental findings and the background work in the field are reviewed.

Energy spectra and oscillatory magnetization of two-electron self-assembled Inx Ga1-x As quantum rings in GaAs

NARCIS (Netherlands)

Fomin, V.M.; Gladilin, V.N.; Devreese, J.T.; Kleemans, N.A.J.M.; Koenraad, P.M.

2008-01-01

The effects of the Coulomb interaction on the energy spectrum and the magnetization of two electrons in a strained Inx Ga1-x As/GaAs ringlike nanostructure are analyzed with realistic parameters inferred from the cross-sectional scanning-tunneling microscopy data. With an increasing magnetic field,

Low-energy positron and electron diffraction and positron-stimulated secondary electron emission from Cu(100)

International Nuclear Information System (INIS)

Weiss, A.H.

1983-01-01

The results of two series of experiments are reported. In the first, an electrostatically guided beam of low-energy (40-400 eV) positrons, delta/sub p/ was used to study low-energy positron diffraction (LEPD) from a Cu(100) surface under ultrahigh-vacuum conditions. Low-energy electron diffraction (LEED) data were obtained from the same sample in the same apparatus. Comparison of LEPD and LEED intensity versus energy data with model calculations made using computer programs developed by C.B. Duke and collaborators indicated that: LEPD data is adequately modeled using potentials with no exchange-correlation term. The inelastic mean free path, lambda/sub ee/, is shorter for positrons than for electrons at low (< approx.80 eV). LEED is better than LEPD at making a determination of the first-layer spacing of Cu(100) for the particular data set reported. In the second set of experiments, the same apparatus and sample were used to compare positron- and electron-stimulated secondary-electron emission (PSSEE and ESSEE). The results were found to be consistent with existing models of secondary-electron production for metals. The energy distributions of secondary-electrons had broad low-energy (<10 eV) peaks for both positron and electron stimulation. But the PSEE distribution showed no elastic peak. Measurements of secondary-electron angular distributions, found to be cosine-like in both the PSSEE and ESSEE case, were used to obtain total secondary yield ratios, delta, at four beam energies ranging from 40-400 eV. The secondary yield ratio for primary positrons and the yield for primary electrons, delta/sub e/, were similar at these energies. For 400-eV primary particles the secondary yields were found to be delta/sub p/ = 0.94 +/- 0.12 and delta/sub e/ = 0.94 +/- 0./12, giving a ratio of unity for positron-stimulated secondary yield to electron-stimulated secondary yield

Asymptotically exact expression for the energies of the 3Se Rydberg series in a two-electron system

International Nuclear Information System (INIS)

Ivanov, I.A.; Bromley, M.W.J.; Mitroy, J.

2002-01-01

The 1sns 3 S e Rydberg series in a two-electron system with the charge of the nucleus, Z≅1, is treated by means of the quantum-defect theory. Comparison with configuration interaction calculations suggests that the quantum-defect expression for the energy levels becomes asymptotically exact as Z→1. This provides an analytic description of the disappearance of the 1sns 3 S e bound states when Z approaches the critical value of 1

A bias-tunable electron-spin filter based on a two-dimensional electron gas modulated by ferromagnetic-Schottky metal stripes

Energy Technology Data Exchange (ETDEWEB)

Lu Jianduo, E-mail: l_j316@163.co [Hubei Province Key Laboratory of Systems Science in Metallurgical Process, Wuhan University of Science and Technology, Wuhan 430081 (China); Li Yunbao; Yun Meijuan [Hubei Province Key Laboratory of Systems Science in Metallurgical Process, Wuhan University of Science and Technology, Wuhan 430081 (China); Zheng Wei [Key Laboratory of Dynamic Geodesy, Institute of Geodesy and Geophysics, Chinese Academy of Sciences, Wuhan 430077 (China)

2011-03-28

We investigate the effect of the bias in an electron-spin filter based on a two-dimensional electron gas modulated by ferromagnetic-Schottky metal stripes. The numerical results show that the electron transmission and the conductance as well as the spin polarization are strongly dependent on the bias applied to the device. - Research highlights: We propose a bias-tunable electron-spin filter. The transmission and the conductance depend on the bias and the electron energy. The spin polarization depends on the bias and the electron energy. The results are helpful for making new types of bias-tunable spin filters.

Differential elastic scattering of He* (21S) by Ar, Kr and Xe: Repulsive rainbows and optical potentials

International Nuclear Information System (INIS)

Martin, D.W.; Gregor, R.W.; Jordan, R.M.; Siska, P.E.

1978-01-01

Elastic scattering angular distributions of He* (2 1 S) with Ar, Kr, and Xe measured in crossed atomic beams at collision energies from 0.4--2.8 kcal/mole are analyzed using a physically motivated optical potential model. The resulting potentials show some features expected on the basis of the analogous Li--rare gas potentials: monotonically increasing van der Waals well depths epsilon in the sequence Ar, Kr, Xe, and nearly constant well position r/sub m/. However, structure occurs in the repulsive parts of the potentials in the form of a local slope maximum (force minimum) at low positive potential energy, as suggested by other studies. The potential energy at the slope maximum decreases monotonically in the Ar, Kr, Xe sequence, while its position increases monotonically. The slope maximum is manifested in the angular distributions through the appearance of rainbow scattering peaks for Ar and Kr at angles well removed from those at which attractive rainbows are expected, with both repulsive and attractive rainbows evident in the same distribution. The resonance widths are constrained to be simple exponentials. Table I contains all potential parameters derived. Reasonably good agreement is obtained between measured total ionization cross sections and quenching rate constants and those calculated from the optical potentials

Time-of-flight electron energy loss spectroscopy using TM110 deflection cavities

Directory of Open Access Journals (Sweden)

W. Verhoeven

2016-09-01

Full Text Available We demonstrate the use of two TM110 resonant cavities to generate ultrashort electron pulses and subsequently measure electron energy losses in a time-of-flight type of setup. The method utilizes two synchronized microwave cavities separated by a drift space of 1.45 m. The setup has an energy resolution of 12 ± 2 eV FWHM at 30 keV, with an upper limit for the temporal resolution of 2.7 ± 0.4 ps. Both the time and energy resolution are currently limited by the brightness of the tungsten filament electron gun used. Through simulations, it is shown that an energy resolution of 0.95 eV and a temporal resolution of 110 fs can be achieved using an electron gun with a higher brightness. With this, a new method is provided for time-resolved electron spectroscopy without the need for elaborate laser setups or expensive magnetic spectrometers.

Low-energy electron inelastic mean free path in materials

Energy Technology Data Exchange (ETDEWEB)

Nguyen-Truong, Hieu T., E-mail: nguyentruongthanhhieu@tdt.edu.vn [Theoretical Physics Research Group & Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City 756636 (Viet Nam)

2016-04-25

We show that the dielectric approach can determine electron inelastic mean free paths in materials with an accuracy equivalent to those from first-principle calculations in the GW approximation of many-body theory. The present approach is an alternative for calculating the hot-electron lifetime, which is an important quantity in ultrafast electron dynamics. This approach, applied here to solid copper for electron energies below 100 eV, yields results in agreement with experimental data from time-resolved two-photon photoemission, angle-resolved photoelectron spectroscopy, and X-ray absorption fine structure measurements in the energy ranges 2–3.5, 10–15, and 60–100 eV, respectively.

Electron-positron pair production by two identical photons in the nuclear field

International Nuclear Information System (INIS)

Smirnov, A.I.

1977-01-01

In the Born approximation of the perturbation theory considered is a nonlinear effect of the electron-positron pair production by two identical photons in the Coulomb field of an atomic nucleus. The kinematic version of identical photons is studied. All the particles are considered to be nonpolarized. The calculation of the differential probability of the effect has been carried out earlier by the Feynman method. The total probability of the effect in limiting energy ranges is determined by integrating the formulas of the pair component distribution over energies. The probabilities of the electron-positron pair production and fusion of two photons into one in the nucleus field have been compared for the case of identical quanta. From the comparison of the results of analyzing both the nonlinear effects it follows that in the high-energy range the electron-positron pair production by two identical photons in the nucleus field extremely predominates over the fusion of two photons into one photon in the same field

Two-Electron Transfer Pathways.

Science.gov (United States)

Lin, Jiaxing; Balamurugan, D; Zhang, Peng; Skourtis, Spiros S; Beratan, David N

2015-06-18

The frontiers of electron-transfer chemistry demand that we develop theoretical frameworks to describe the delivery of multiple electrons, atoms, and ions in molecular systems. When electrons move over long distances through high barriers, where the probability for thermal population of oxidized or reduced bridge-localized states is very small, the electrons will tunnel from the donor (D) to acceptor (A), facilitated by bridge-mediated superexchange interactions. If the stable donor and acceptor redox states on D and A differ by two electrons, it is possible that the electrons will propagate coherently from D to A. While structure-function relations for single-electron superexchange in molecules are well established, strategies to manipulate the coherent flow of multiple electrons are largely unknown. In contrast to one-electron superexchange, two-electron superexchange involves both one- and two-electron virtual intermediate states, the number of virtual intermediates increases very rapidly with system size, and multiple classes of pathways interfere with one another. In the study described here, we developed simple superexchange models for two-electron transfer. We explored how the bridge structure and energetics influence multielectron superexchange, and we compared two-electron superexchange interactions to single-electron superexchange. Multielectron superexchange introduces interference between singly and doubly oxidized (or reduced) bridge virtual states, so that even simple linear donor-bridge-acceptor systems have pathway topologies that resemble those seen for one-electron superexchange through bridges with multiple parallel pathways. The simple model systems studied here exhibit a richness that is amenable to experimental exploration by manipulating the multiple pathways, pathway crosstalk, and changes in the number of donor and acceptor species. The features that emerge from these studies may assist in developing new strategies to deliver multiple

Nonadiabatic two-electron transfer mediated by an irregular bridge

International Nuclear Information System (INIS)

Petrov, E.G.; Shevchenko, Ye.V.; May, V.

2004-01-01

Nonadiabatic two-electron transfer (TET) mediated by a linear molecular bridge is studied theoretically. Special attention is put on the case of a irregular distribution of bridge site energies as well as on the inter-site Coulomb interaction. Based on the unified description of electron transfer reactions [J. Chem. Phys. 115 (2001) 7107] a closed set of kinetic equations describing the TET process is derived. A reduction of this set to a single exponential donor-acceptor (D-A) TET is performed together with a derivation of an overall D-A TET rate. The latter contains a contribution of the stepwise as well as of the concerted route of D-A TET. The stepwise contribution is determined by two single-electron steps each of them associated with a sequential and a superexchange pathway. A two-electron unistep superexchange transition between the D and A forms the concerted contribution to the overall rate. Both contributions are analyzed in their dependency on the bridge length. The irregular distribution of the bridge site energies as well as the influence of the Coulomb interaction facilitates the D-A TET via a modification of the stepwise and the concerted part of the overall rate. At low temperatures and for short bridges with a single or two units the concerted contribution exceeds the stepwise contribution. If the bridge contains more than two units, the stepwise contribution dominates the overall rate

From repulsive to attractive glass: A rheological investigation.

Science.gov (United States)

Zhou, Zhi; Jia, Di; Hollingsworth, Javoris V; Cheng, He; Han, Charles C

2015-12-21

Linear rheological properties and yielding behavior of polystyrene core and poly (N-isopropylacrylamide) (PNIPAM) shell microgels were investigated to understand the transition from repulsive glass (RG) to attractive glass (AG) and the A3 singularity. Due to the volume phase transition of PNIPAM in aqueous solution, the microgel-microgel interaction potential gradually changes from repulsive to attractive. In temperature and frequency sweep experiments, the storage modulus (G') and loss modulus (G″) increased discontinuously when crossing the RG-to-AG transition line, while G' at low frequency exhibited a different volume fraction (Φ) dependence. By fitting the data of RG and AG, and then extrapolating to high volume fraction, the difference between RG and AG decreased and the existence of A3 singularity was verified. Dynamic strain sweep experiments were conducted to confirm these findings. RG at 25 °C exhibited one-step yielding, whereas AG at 40 °C showed a typical two-step yielding behavior; the first yielding strain remained constant and the second one gradually decreased as the volume fraction increased. By extrapolating the second yield strain to that of the first one, the predicted A3 singularity was at 0.61 ± 0.02. At 37 °C, when Φeff = 0.59, AG showed one step yielding as the length of the attractive bond increased. The consistency and agreement of the experimental results reaffirmed the existence of A3 singularity, where the yielding behavior of RG and AG became identical.

Dμ-A new concept in industrial low-energy electron dosimetry

International Nuclear Information System (INIS)

Helt-Hansen, Jakob; Miller, Arne; Sharpe, Peter; Laurell, Bengt; Weiss, Doug; Pageau, Gary

2010-01-01

Irradiation with low-energy electrons (100-300 keV) results in dose gradients across the thickness of the dosimeters that are typically used for dose measurement at these energies. This leads to different doses being measured with different thickness dosimeters irradiated at the same electron beam, resulting in difficulties in providing traceable dose measurements using reference dosimeters. In order to overcome these problems a new concept is introduced of correcting all measured doses to the average dose in the first micrometer-D μ . We have applied this concept to dose measurements with dosimeters of different thickness at two electron accelerators operating over a range of energies. The uncertainties of the dose measurements were evaluated, and it was shown that the dose in terms of D μ was the same at each energy for all dosimeters within the measurement uncertainty. Using the concept of D μ it is therefore possible to calibrate and measure doses from low-energy electron irradiations with measurement traceability to national standards.

High-energy electron diffraction and microscopy

CERN Document Server

Peng, L M; Whelan, M J

2011-01-01

This book provides a comprehensive introduction to high energy electron diffraction and elastic and inelastic scattering of high energy electrons, with particular emphasis on applications to modern electron microscopy. Starting from a survey of fundamental phenomena, the authors introduce the most important concepts underlying modern understanding of high energy electron diffraction. Dynamical diffraction in transmission (THEED) and reflection (RHEED) geometries is treated using ageneral matrix theory, where computer programs and worked examples are provided to illustrate the concepts and to f

Surface characterization by energy distribution measurements of secondary electrons and of ion-induced electrons

International Nuclear Information System (INIS)

Bauer, H.E.; Seiler, H.

1988-01-01

Instruments for surface microanalysis (e.g. scanning electron or ion microprobes, emission electron or ion microscopes) use the current of emitted secondary electrons or of emitted ion-induced electrons for imaging of the analysed surface. These currents, integrating over all energies of the emitted low energy electrons, are however, not well suited to surface analytical purposes. On the contrary, the energy distribution of these electrons is extremely surface-sensitive with respect to shape, size, width, most probable energy, and cut-off energy. The energy distribution measurements were performed with a cylindrical mirror analyser and converted into N(E), if necessary. Presented are energy spectra of electrons released by electrons and argon ions of some contaminated and sputter cleaned metals, the change of the secondary electron energy distribution from oxidized aluminium to clean aluminium, and the change of the cut-off energy due to work function change of oxidized aluminium, and of a silver layer on a platinum sample. The energy distribution of the secondary electrons often shows detailed structures, probably due to low-energy Auger electrons, and is broader than the energy distribution of ion-induced electrons of the same object point. (author)

Electron-hole pairing and anomalous properties of layered high-Tc compounds

International Nuclear Information System (INIS)

Efetov, K.B.

1991-01-01

Band-structure pictures for layered high-T c materials available in the literature show that, besides the dispersive broad band responsible for metallic properties, there are at least two additional bands having minima and maxima near the Fermi surface. These additional bands belong to different planes (for example, CuO planes and BiO planes in Bi 2 Sr 2 CaCu 2 O 8 ) or to planes and chains (in YBa 2 Cu 3 O 7 ). Provided the Coulomb repulsion is not very weak, pairing of electrons and holes belonging to these additional bands in different planes or planes and chains is possible. It is shown that, if this possibility is realized, a transition in the additional bands into a state of an excitonic dielectric occurs. The spin of an electron-hole pair can be both 0 and 1. Due to the fact that the electron and the hole of the pair belong to different planes, there are no charge- or spin-density waves. This excitonic insulator can serve as a polarizing substance and give a strong attraction between electrons of the metallic band even if the bare interaction is repulsive. It is also shown that some interesting gapless excitations exist. Provided there are impurities in the system that scatter from plane to plane, these excitations are coupled to the electrons of the metallic band. This effective interaction can be described in terms of an effective mode P(ω) with ImP(ω)∼-sgnω. As a result, one can obtain such properties of the normal state as a linear dependence of the resistivity on temperature, linear dependence of the density of states on energy, constant background in the Raman-scattering intensity, large nuclear relaxation rate, etc., which are very well known from experiments

Energy Spread Reduction of Electron Beams Produced via Laser Wake

Energy Technology Data Exchange (ETDEWEB)

Pollock, Bradley Bolt [Univ. of California, San Diego, CA (United States)

2012-01-01

Laser wakefield acceleration of electrons holds great promise for producing ultra-compact stages of GeV scale, high quality electron beams for applications such as x-ray free electron lasers and high energy colliders. Ultra-high intensity laser pulses can be self-guided by relativistic plasma waves over tens of vacuum diffraction lengths, to give >1 GeV energy in cm-scale low density plasma using ionization-induced injection to inject charge into the wake at low densities. This thesis describes a series of experiments which investigates the physics of LWFA in the self-guided blowout regime. Beginning with high density gas jet experiments the scaling of the LWFA-produced electron beam energy with plasma electron density is found to be in excellent agreement with both phenomenological theory and with 3-D PIC simulations. It is also determined that self-trapping of background electrons into the wake exhibits a threshold as a function of the electron density, and at the densities required to produce electron beams with energies exceeding 1 GeV a different mechanism is required to trap charge into low density wakes. By introducing small concentrations of high-Z gas to the nominal He background the ionization-induced injection mechanism is enabled. Electron trapping is observed at densities as low as 1.3 x 10¹⁸ cm^-3 in a gas cell target, and 1.45 GeV electrons are demonstrated for the first time from LWFA. This is currently the highest electron energy ever produced from LWFA. The ionization-induced trapping mechanism is also shown to generate quasi-continuous electron beam energies, which is undesirable for accelerator applications. By limiting the region over which ionization-induced trapping occurs, the energy spread of the electron beams can be controlled. The development of a novel two-stage gas cell target provides the capability to tailor the gas composition in the longitudinal direction, and confine the trapping process to occur only in a

Estimation of the characteristic energy of electron precipitation

Directory of Open Access Journals (Sweden)

C. F. del Pozo

2002-09-01

Full Text Available Data from simultaneous observations (on 13 February 1996, 9 November 1998, and 12 February 1999 with the IRIS, DASI and EISCAT systems are employed in the study of the energy distribution of the electron precipitation during substorm activity. The estimation of the characteristic energy of the electron precipitation over the common field of view of IRIS and DASI is discussed. In particular, we look closely at the physical basis of the correspondence between the characteristic energy, the flux-averaged energy, as defined below, and the logarithm of the ratio of the green-light intensity to the square of absorption. This study expands and corrects results presented in the paper by Kosch et al. (2001. It is noticed, moreover, that acceleration associated with diffusion processes in the magnetosphere long before precipitation may be controlling the shape of the energy spectrum. We propose and test a "mixed" distribution for the energy-flux spectrum, exponential at the lower energies and Maxwellian or modified power-law at the higher energies, with a threshold energy separating these two regimes. The energy-flux spectrum at Tromsø, in the 1–320 keV range, is derived from EISCAT electron density profiles in the 70–140 km altitude range and is applied in the "calibration" of the optical intensity and absorption distributions, in order to extrapolate the flux and characteristic energy maps.Key words. Ionosphere (auroral ionosphere; particle precipitation; particle acceleration

Estimation of the characteristic energy of electron precipitation

Directory of Open Access Journals (Sweden)

C. F. del Pozo

Full Text Available Data from simultaneous observations (on 13 February 1996, 9 November 1998, and 12 February 1999 with the IRIS, DASI and EISCAT systems are employed in the study of the energy distribution of the electron precipitation during substorm activity. The estimation of the characteristic energy of the electron precipitation over the common field of view of IRIS and DASI is discussed. In particular, we look closely at the physical basis of the correspondence between the characteristic energy, the flux-averaged energy, as defined below, and the logarithm of the ratio of the green-light intensity to the square of absorption. This study expands and corrects results presented in the paper by Kosch et al. (2001. It is noticed, moreover, that acceleration associated with diffusion processes in the magnetosphere long before precipitation may be controlling the shape of the energy spectrum. We propose and test a "mixed" distribution for the energy-flux spectrum, exponential at the lower energies and Maxwellian or modified power-law at the higher energies, with a threshold energy separating these two regimes. The energy-flux spectrum at Tromsø, in the 1–320 keV range, is derived from EISCAT electron density profiles in the 70–140 km altitude range and is applied in the "calibration" of the optical intensity and absorption distributions, in order to extrapolate the flux and characteristic energy maps.

Key words. Ionosphere (auroral ionosphere; particle precipitation; particle acceleration

Two-dimensional vibrational-electronic spectroscopy

Science.gov (United States)

Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.; Khalil, Munira

2015-10-01

Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (νCN) and either a ligand-to-metal charge transfer transition ([FeIII(CN)6]3- dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN)5FeIICNRuIII(NH3)5]- dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific νCN modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a wide range of complex molecular, material, and biological systems.

Two-dimensional vibrational-electronic spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.; Khalil, Munira, E-mail: mkhalil@uw.edu [Department of Chemistry, University of Washington, Box 351700, Seattle, Washington 98195 (United States)

2015-10-21

Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (ν{sub CN}) and either a ligand-to-metal charge transfer transition ([Fe{sup III}(CN){sub 6}]{sup 3−} dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN){sub 5}Fe{sup II}CNRu{sup III}(NH{sub 3}){sub 5}]{sup −} dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific ν{sub CN} modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a

Relations of secondary electron emission to microdosimetry and applications to two-target theory

International Nuclear Information System (INIS)

Forsberg, B.J.; Burlin, T.E.

1978-01-01

Secondary electron emission has been suggested as a phenomenon that offers considerable potential for microdosimetric studies (Burlin, 1973). This potential is examined further through a theoretical study. Previous work on the stochastic nature of secondary electron emission is reviewed and in particular a Monte Carlo programme of McDonald, Lamki and Delaney (1971, 1973) is developed. Lineal energy distributions are presented for tissue equivalent volumes of about 5nm in three materials for different electron energies. The dose mean of lineal energy and the frequency mean of lineal energy are calculated and these results for volumes with linear dimension of a few nanometers are compared with results of Bengtsson and Lindborg (1974), Braby and Ellett (1971) and Dvorak (1975). Several authors have suggested that some radiobiological effects may result from energy deposition in two different targets. An experimental investigation using proportional counter measurements to simulate two-target theory has been reported. In this paper an alternative technique to twin-proportional counter measurements, based on the secondary electron emission from the two sides of a thin foil is discussed. The extended version of the programme calculates the coincident P(nsub(i),nsub(e)) distribution, that is the number of secondary electrons pair (nsub(i), nsub(e)) is recorded, where nsub(i) is the number of secondary electrons leaving the incident side and nsub(e) is leaving the exit side of the foil simultaneously

Vertex function for the coupling of an electron with intramolecular phonons: Exact results in the antiadiabatic limit

International Nuclear Information System (INIS)

Takada, Y.; Higuchi, T.

1995-01-01

The Green's-function techniques, especially the one developed in the preceding paper [Takada, Phys. Rev. B 52, 12 708 (1995)], are employed to calculate the electron-phonon vertex part as well as the electronic self-energy exactly on both real- and imaginary-frequency axes in the electron-phonon Holstein model with the on-site Coulomb repulsion in the limit in which the intramolecular phonon energy ω 0 is much larger than the electronic bandwidth. The rigorous vertex part is found to diverge at the frequencies at which an electron is locked by such local phonons with an infinitely strong effective coupling. Characteristic frequencies of this divergence, which are not equal to multiples of ω 0 , are calculated as a function of the electron-phonon bare coupling constant. Our results for the self-energy are checked successfully with the exact ones obtained by the Lang-Firsov canonical transformation

From Molecular Electronics to Solar Thermal Energy Storage

DEFF Research Database (Denmark)

Olsen, Stine Tetzschner

The Sun's signicant resource potential provides a solution for the world's increasing energy demand in a sustainable and responsible manner. However, the intrinsic property of the on-o cycles of the solar irradiation, i.e. daynight, sunny-cloudy, and summer-winter, constitutes a signicant challenge...... for the utilization of solar energy. An eective technology for storing the solar energy is required. This thesis focuses on solar thermal energy storage in molecules, since it oers a very compact and eective storage method. The rst chapter after the introduction of the thesis, chapter two, introduces the fundamental...... properties of the molecule, i.e. the electronic behaviour of the molecule in dierent environments, which is a key property for investigations of solar energy storage. The main focus of the research is on the electron transport in the Coulomb blockade regime. The third chapter goes into the challenge...

Elimination of two atomic electrons by a single high energy photon

International Nuclear Information System (INIS)

Amusia, M.Y.; Ioffe, A.F.

1993-01-01

This report discusses the following topics: mechanism of two-electron photoionization; multiple photoionization near inner shell thresholds; double ionization accompanying compton-effect; and the investigation of secondary photon emission in coincidence with double charged ion production

Phase separation and d-wave superconductivity induced by extended electron-exciton interaction

Energy Technology Data Exchange (ETDEWEB)

Cheng Ming [Department of Physics and Texas Center for Superconductivity, University of Houston, 4800 Calhoun Road, Houston, Texas 77204 (United States)], E-mail: cheng896@hotmail.com; Su Wupei [Department of Physics and Texas Center for Superconductivity, University of Houston, 4800 Calhoun Road, Houston, Texas 77204 (United States)

2008-12-15

Using an auxiliary-field quantum Monte Carlo (AFQMC) method, we have studied a two-dimensional tight-binding model in which the conduction electrons can polarize an adjacent layer of molecules through electron-electron repulsion. Calculated average conduction electron density as a function of chemical potential exhibits a clear break characteristic of phase separation. Compared to the noninteracting system, the d-wave pair-field correlation function shows significant enhancement. The simultaneous presence of phase separation and d-wave superconductivity suggests that an effective extended pairing force is induced by the electron-exciton coupling.

Phase separation and d-wave superconductivity induced by extended electron-exciton interaction

International Nuclear Information System (INIS)

Cheng Ming; Su Wupei

2008-01-01

Using an auxiliary-field quantum Monte Carlo (AFQMC) method, we have studied a two-dimensional tight-binding model in which the conduction electrons can polarize an adjacent layer of molecules through electron-electron repulsion. Calculated average conduction electron density as a function of chemical potential exhibits a clear break characteristic of phase separation. Compared to the noninteracting system, the d-wave pair-field correlation function shows significant enhancement. The simultaneous presence of phase separation and d-wave superconductivity suggests that an effective extended pairing force is induced by the electron-exciton coupling

Ground-state energy for 1D (t,U,X)-model at low densities

International Nuclear Information System (INIS)

Buzatu, F.D.

1992-09-01

In describing the properties of quasi-1D materials with a highly-screened interelectronic potential, an attractive hopping term has to be added to the Hubbard Hamiltonian. The effective interaction and the ground-state energy in ladder approximation are analyzed. At low electronic densities, the attractive part of the interaction, initially smaller than the repulsive term, can become more effective, the ground-state energy decreasing below the unperturbed value. (author). 12 refs, 4 figs

Effect of Temperature and Pressure on Correlation Energy in a Triplet State of a Two Electron Spherical Quantum Dot

Directory of Open Access Journals (Sweden)

A. Rejo Jeice

2013-09-01

Full Text Available The combined effect of hydrostatic pressure and temperature on correlation energy in a triplet state of two electron spherical quantum dot with square well potential is computed. The result is presented taking GaAs dot as an example. Our result shows the correlation energies are inegative in the triplet state contrast to the singlet state ii it increases with increase in pressure  iiifurther decreases due to the application  of temperature iv it approaches zero as dot size approaches infinity and v it contribute 10% decrement in total confined energy to the narrow dots. All the calculations have been carried out with finite models and the results are compared with existing literature.

Highly effective photonic cue for repulsive axonal guidance.

Directory of Open Access Journals (Sweden)

Bryan J Black

Full Text Available In vivo nerve repair requires not only the ability to regenerate damaged axons, but most importantly, the ability to guide developing or regenerating axons along paths that will result in functional connections. Furthermore, basic studies in neuroscience and neuro-electronic interface design require the ability to construct in vitro neural circuitry. Both these applications require the development of a noninvasive, highly effective tool for axonal growth-cone guidance. To date, a myriad of technologies have been introduced based on chemical, electrical, mechanical, and hybrid approaches (such as electro-chemical, optofluidic flow and photo-chemical methods. These methods are either lacking in desired spatial and temporal selectivity or require the introduction of invasive external factors. Within the last fifteen years however, several attractive guidance cues have been developed using purely light based cues to achieve axonal guidance. Here, we report a novel, purely optical repulsive guidance technique that uses low power, near infrared light, and demonstrates the guidance of primary goldfish retinal ganglion cell axons through turns of up to 120 degrees and over distances of ∼90 µm.

Electron emission from solids induced by swift heavy ions

International Nuclear Information System (INIS)

Xiao Guoqing

2000-01-01

The recent progresses in experimental and theoretical studies of the collision between swift heavy ion and solids as well as electron emission induced by swift heavy ion in solids were briefly reviewed. Three models, Coulomb explosion, thermal spike and repulsive long-lived states, for interpreting the atomic displacements stimulated by the electronic energy loss were discussed. The experimental setup and methods for measuring the electron emission from solids were described. The signification deviation from a proportionality between total electron emission yields and electronic stopping power was found. Auger-electron and convoy-electron spectra are thought to be a probe for investigating the microscopic production mechanisms of the electronic irradiation-damage. Electron temperature and track potential at the center of nuclear tracks in C and polypropylene foils induced by 5 MeV/u heavy ions, which are related to the electronic excitation density in metals and insulators respectively, were extracted by measuring the high resolution electron spectra

Electronic energy transfer through non-adiabatic vibrational-electronic resonance. I. Theory for a dimer

Science.gov (United States)

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

2017-10-01

Non-adiabatic vibrational-electronic resonance in the excited electronic states of natural photosynthetic antennas drastically alters the adiabatic framework, in which electronic energy transfer has been conventionally studied, and suggests the possibility of exploiting non-adiabatic dynamics for directed energy transfer. Here, a generalized dimer model incorporates asymmetries between pigments, coupling to the environment, and the doubly excited state relevant for nonlinear spectroscopy. For this generalized dimer model, the vibrational tuning vector that drives energy transfer is derived and connected to decoherence between singly excited states. A correlation vector is connected to decoherence between the ground state and the doubly excited state. Optical decoherence between the ground and singly excited states involves linear combinations of the correlation and tuning vectors. Excitonic coupling modifies the tuning vector. The correlation and tuning vectors are not always orthogonal, and both can be asymmetric under pigment exchange, which affects energy transfer. For equal pigment vibrational frequencies, the nonadiabatic tuning vector becomes an anti-correlated delocalized linear combination of intramolecular vibrations of the two pigments, and the nonadiabatic energy transfer dynamics become separable. With exchange symmetry, the correlation and tuning vectors become delocalized intramolecular vibrations that are symmetric and antisymmetric under pigment exchange. Diabatic criteria for vibrational-excitonic resonance demonstrate that anti-correlated vibrations increase the range and speed of vibronically resonant energy transfer (the Golden Rule rate is a factor of 2 faster). A partial trace analysis shows that vibronic decoherence for a vibrational-excitonic resonance between two excitons is slower than their purely excitonic decoherence.

Power electronics for renewable energy systems

DEFF Research Database (Denmark)

Iov, Florin; Blaabjerg, Frede

2009-01-01

sources from the conventional, fossil (and short term) based energy sources to renewable energy resources. Another is to use high efficient power electronics in power generation, power transmission/distribution and end-user application. This paper discuss some of the most emerging renewable energy sources......, wind energy and photovoltaics, which by means of power electronics are changing from being minor energy sources to be acting as important power sources in the energy system....

Helium ion microscopy and energy selective scanning electron microscopy - two advanced microscopy techniques with complementary applications

Science.gov (United States)

Rodenburg, C.; Jepson, M. A. E.; Boden, Stuart A.; Bagnall, Darren M.

2014-06-01

Both scanning electron microscopes (SEM) and helium ion microscopes (HeIM) are based on the same principle of a charged particle beam scanning across the surface and generating secondary electrons (SEs) to form images. However, there is a pronounced difference in the energy spectra of the emitted secondary electrons emitted as result of electron or helium ion impact. We have previously presented evidence that this also translates to differences in the information depth through the analysis of dopant contrast in doped silicon structures in both SEM and HeIM. Here, it is now shown how secondary electron emission spectra (SES) and their relation to depth of origin of SE can be experimentally exploited through the use of energy filtering (EF) in low voltage SEM (LV-SEM) to access bulk information from surfaces covered by damage or contamination layers. From the current understanding of the SES in HeIM it is not expected that EF will be as effective in HeIM but an alternative that can be used for some materials to access bulk information is presented.

Angular distribution of scattered electron and medium energy electron spectroscopy for metals

International Nuclear Information System (INIS)

Oguri, Takeo; Ishioka, Hisamichi; Fukuda, Hisashi; Irako, Mitsuhiro

1986-01-01

The angular distribution (AD) of scattered electrons produced by medium energy incident electrons (E P = 50 ∼ 300 eV) from polycrystalline Ti, Fe, Ni, Cu and Au were obtained by the angle-resolved medium energy electron spectrometer. The AD of the energy loss peaks are similar figures to AD of the elastically reflected electron peaks. Therefore, the exchanged electrons produced by the knock-on collision between the incident electrons and those of metals without momentum transfer are observed as the energy loss spectra (ELS). This interpretation differs from the inconsequent interpretation by the dielectric theory or the interband transition. The information depth and penetration length are obtained from AD of the Auger electron peaks. The contribution of the surface to spectra is 3 % at the maximum for E P = 50 eV. The true secondary peaks representing the secondary electron emission spectroscopy (SES) are caused by the emissions of the energetic electrons (kT e ≥ 4 eV), and SES is the inversion of ELS. The established fundamental view is that the medium energy electron spectra represent the total bulk density of states. (author)

Development of a secondary electron energy analyzer for a transmission electron microscope.

Science.gov (United States)

Magara, Hideyuki; Tomita, Takeshi; Kondo, Yukihito; Sato, Takafumi; Akase, Zentaro; Shindo, Daisuke

2018-04-01

A secondary electron (SE) energy analyzer was developed for a transmission electron microscope. The analyzer comprises a microchannel plate (MCP) for detecting electrons, a coil for collecting SEs emitted from the specimen, a tube for reducing the number of backscattered electrons incident on the MCP, and a retarding mesh for selecting the energy of SEs incident on the MCP. The detection of the SEs associated with charging phenomena around a charged specimen was attempted by performing electron holography and SE spectroscopy using the energy analyzer. The results suggest that it is possible to obtain the energy spectra of SEs using the analyzer and the charging states of a specimen by electron holography simultaneously.

Ultrafast Electron Dynamics in Solar Energy Conversion.

Science.gov (United States)

Ponseca, Carlito S; Chábera, Pavel; Uhlig, Jens; Persson, Petter; Sundström, Villy

2017-08-23

Electrons are the workhorses of solar energy conversion. Conversion of the energy of light to electricity in photovoltaics, or to energy-rich molecules (solar fuel) through photocatalytic processes, invariably starts with photoinduced generation of energy-rich electrons. The harvesting of these electrons in practical devices rests on a series of electron transfer processes whose dynamics and efficiencies determine the function of materials and devices. To capture the energy of a photogenerated electron-hole pair in a solar cell material, charges of opposite sign have to be separated against electrostatic attractions, prevented from recombining and being transported through the active material to electrodes where they can be extracted. In photocatalytic solar fuel production, these electron processes are coupled to chemical reactions leading to storage of the energy of light in chemical bonds. With the focus on the ultrafast time scale, we here discuss the light-induced electron processes underlying the function of several molecular and hybrid materials currently under development for solar energy applications in dye or quantum dot-sensitized solar cells, polymer-fullerene polymer solar cells, organometal halide perovskite solar cells, and finally some photocatalytic systems.

Electron correlation in a three dimensional cluster of the cubic lattice ...

African Journals Online (AJOL)

... and pairing correlations depend implicitly on the interaction strength (U/41). It is shown that for two electrons, the interaction is always repulsive in the ground state for any positive value of the on-site Coulomb interaction U. Implications of this result for superconductivity are also discussed. Nigerian Journal of Physics Vol.

Assembly for the measurement of the most probable energy of directed electron radiation

International Nuclear Information System (INIS)

Geske, G.

1987-01-01

This invention relates to a setup for the measurement of the most probable energy of directed electron radiation up to 50 MeV. The known energy-range relationship with regard to the absorption of electron radiation in matter is utilized by an absorber with two groups of interconnected radiation detectors embedded in it. The most probable electron beam energy is derived from the quotient of both groups' signals

Secondary Electrons as an Energy Source for Life

Science.gov (United States)

Stelmach, Kamil B.; Neveu, Marc; Vick-Majors, Trista J.; Mickol, Rebecca L.; Chou, Luoth; Webster, Kevin D.; Tilley, Matt; Zacchei, Federica; Escudero, Cristina; Flores Martinez, Claudio L.; Labrado, Amanda; Fernández, Enrique J. G.

2018-01-01

Life on Earth is found in a wide range of environments as long as the basic requirements of a liquid solvent, a nutrient source, and free energy are met. Previous hypotheses have speculated how extraterrestrial microbial life may function, among them that particle radiation might power living cells indirectly through radiolytic products. On Earth, so-called electrophilic organisms can harness electron flow from an extracellular cathode to build biomolecules. Here, we describe two hypothetical mechanisms, termed "direct electrophy" and "indirect electrophy" or "fluorosynthesis," by which organisms could harness extracellular free electrons to synthesize organic matter, thus expanding the ensemble of potential habitats in which extraterrestrial organisms might be found in the Solar System and beyond. The first mechanism involves the direct flow of secondary electrons from particle radiation to a microbial cell to power the organism. The second involves the indirect utilization of impinging secondary electrons and a fluorescing molecule, either biotic or abiotic in origin, to drive photosynthesis. Both mechanisms involve the attenuation of an incoming particle's energy to create low-energy secondary electrons. The validity of the hypotheses is assessed through simple calculations showing the biomass density attainable from the energy supplied. Also discussed are potential survival strategies that could be used by organisms living in possible habitats with a plentiful supply of secondary electrons, such as near the surface of an icy moon. While we acknowledge that the only definitive test for the hypothesis is to collect specimens, we also describe experiments or terrestrial observations that could support or nullify the hypotheses.

Electron-neutrino scattering off nuclei from two different theoretical perspectives

Science.gov (United States)

Martini, M.; Jachowicz, N.; Ericson, M.; Pandey, V.; Van Cuyck, T.; Van Dessel, N.

2016-07-01

We analyze charged-current electron-neutrino cross sections on carbon. We consider two different theoretical approaches, on one hand the continuum random phase approximation (CRPA) which allows a description of giant resonances and quasielastic excitations, on the other hand the RPA-based calculations which are able to describe multinucleon emission and coherent and incoherent pion production as well as quasielastic excitations. We compare the two approaches in the genuine quasielastic channel, and find a satisfactory agreement between them at large energies while at low energies the collective giant resonances show up only in the CRPA approach. We also compare electron-neutrino cross sections with the corresponding muon-neutrino ones in order to investigate the impact of the different charged-lepton masses. Finally, restricting to the RPA-based approach, we compare the sum of quasielastic, multinucleon emission, coherent, and incoherent one-pion production cross sections (folded with the electron-neutrino T2K flux) with the charged-current inclusive electron-neutrino differential cross sections on carbon measured by T2K. We find a good agreement with the data. The multinucleon component is needed in order to reproduce the T2K electron-neutrino inclusive cross sections.

Secondary electrons monitor for continuous electron energy measurements in UHF linac

International Nuclear Information System (INIS)

Zimek, Zbigniew; Bulka, Sylwester; Mirkowski, Jacek; Roman, Karol

2001-01-01

Continuous energy measurements have now became obligatory in accelerator facilities devoted to radiation sterilization process. This is one of several accelerator parameters like dose rate, beam current, bean scan parameters, conveyer speed which must be recorded as it is a required condition of accelerator validation procedure. Electron energy measurements are rather simple in direct DC accelerator, where the applied DC voltage is directly related to electron energy. High frequency linacs are not offering such opportunity in electron energy measurements. The analyzing electromagnet is applied in some accelerators but that method can be used only in off line mode before or after irradiation process. The typical solution is to apply the non direct method related to control and measurements certain accelerator parameters like beam current and microwave energy pulse power. The continuous evaluation of electron energy can be performed on the base of calculation and result comparison with calibration curve

Power electronics for renewable and distributed energy systems a sourcebook of topologies, control and integration

CERN Document Server

Chakraborty, Sudipta; Kramer, William E

2013-01-01

While most books approach power electronics and renewable energy as two separate subjects, Power Electronics for Renewable and Distributed Energy Systems takes an integrative approach; discussing power electronic converters topologies, controls and integration that are specific to the renewable and distributed energy system applications. An overview of power electronic technologies is followed by the introduction of various renewable and distributed energy resources that includes photovoltaics, wind, small hydroelectric, fuel cells, microturbines and variable speed generation. Energy storage s

Low Energy Electrons as Probing Tool for Astrochemical Reaction Mechanisms

Science.gov (United States)

Hendrik Bredehöft, Jan; Swiderek, Petra; Hamann, Thorben

The complexity of molecules found in space varies widely. On one end of the scale of molecular complexity is the hydrogen molecule H2 . Its formation from H atoms is if not understood than at least thoroughly investigated[1]. On the other side of said spectrum the precursors to biopolymers can be found, such as amino acids[2,3], sugars[4], lipids, cofactors[5], etc, and the kerogen-like organic polymer material in carbonaceous meteorites called "black stuff" [6]. These have also received broad attention in the last decades. Sitting in the middle between these two extremes are simple molecules that are observed by radio astronomy throughout the Universe. These are molecules like methane (CH4 ), methanol (CH3 OH), formaldehyde (CH2 O), hydrogen cyanide (HCN), and many many others. So far more than 40 such species have been identified.[7] They are often used in laboratory experiments to create larger complex molecules on the surface of simulated interstellar dust grains.[2,8] The mechanisms of formation of these observed starting materials for prebiotic chemistry is however not always clear. Also the exact mechanisms of formation of larger molecules in photochemical experiments are largely unclear. This is mostly due to the very complex chemistry going on which involves many different radicals and ions. The creation of radicals and ions can be studied in detail in laboratory simulations. They can be created in a setup mimicking interstellar grain chemistry using slow electrons. There is no free electron radiation in space. What can be found though is a lot of radiation of different sorts. There is electromagnetic radiation (UV light, X-Rays, rays, etc.) and there is particulate radiation as well in the form of high energy ions. This radiation can provide energy that drives chemical reactions in the ice mantles of interstellar dust grains. And while the multitude of different kinds of radiation might be a little confusing, they all have one thing in common: Upon

Dynamics of two-electron excitations in helium

Energy Technology Data Exchange (ETDEWEB)

Caldwell, C.D.; Menzel, A.; Frigo, S.P. [Univ. of Central Florida, Orlando, FL (United States)] [and others

1997-04-01

Excitation of both electrons in helium offers a unique window for studying electron correlation at the most basic level in an atom in which these two electrons and the nucleus form a three-body system. The authors utilized the first light available at the U-8 undulator-SGM monochromator beamline to investigate the dynamic parameters, partial cross sections, differential cross sections, and photoelectron angular distribution parameters ({beta}), with a high resolving power for the photon beam and at the highly differential level afforded by the use of their electron spectrometer. In parallel, they carried out detailed calculations of the relevant properties by a theoretical approach that is based on the hyperspherical close-coupling method. Partial photoionization cross sections {sigma}{sub n}, and photoelectron angular distributions {beta}{sub n} were measured for all possible final ionic states He{sup +}(n) in the region of the double excitations N(K,T){sup A} up to the N=5 threshold. At a photon energy bandpass of 12 meV below the thresholds N=3, 4, and 5, this level of differentiation offers the most critical assessment of the dynamics of the two-electron excitations to date. The experimental data were seen to be very well described by the most advanced theoretical calculations.

Dynamical localization of two electrons in triple-quantum-dot shuttles

International Nuclear Information System (INIS)

Qu, Jinxian; Duan, Suqing; Yang, Ning

2012-01-01

The dynamical localization phenomena in two-electron quantum-dot shuttles driven by an ac field have been investigated and analyzed by the Floquet theory. The dynamical localization occurs near the anti-crossings in Floquet eigenenergy spectrum. The oscillation of the quantum-dot shuttles may increase the possibility of the dynamical localization. Especially, even if the two electrons are initialized in two neighbor dots, they can be localized there for appropriate intensity of the driven field. The studies may help the understanding of dynamical localization in electron shuttles and expand the application potential of nanoelectromechanical devices. -- Highlights: ► The dynamical localization in electron shuttle is studied by Floquet theory. ► There is a relation between quasi-energy anti-crossings and dynamical localization. ► The oscillation of quantum dot increases the dynamical localization. ► Even the electrons are initialized in different dots, the localization can occur.

Valence ionized states of iron pentacarbonyl and eta5-cyclopentadienyl cobalt dicarbonyl studied by symmetry-adapted cluster-configuration interaction calculation and collision-energy resolved Penning ionization electron spectroscopy.

Science.gov (United States)

Fukuda, Ryoichi; Ehara, Masahiro; Nakatsuji, Hiroshi; Kishimoto, Naoki; Ohno, Koichi

2010-02-28

Valence ionized states of iron pentacarbonyl Fe(CO)(5) and eta(5)-cyclopentadienyl cobalt dicarbonyl Co(eta(5)-C(5)H(5))(CO)(2) have been studied by ultraviolet photoelectron spectroscopy, two-dimensional Penning ionization electron spectroscopy (2D-PIES), and symmetry-adapted cluster-configuration interaction calculations. Theory provided reliable assignments for the complex ionization spectra of these molecules, which have metal-carbonyl bonds. Theoretical ionization energies agreed well with experimental observations and the calculated wave functions could explain the relative intensities of PIES spectra. The collision-energy dependence of partial ionization cross sections (CEDPICS) was obtained by 2D-PIES. To interpret these CEDPICS, the interaction potentials between the molecules and a Li atom were examined in several coordinates by calculations. The relation between the slope of the CEDPICS and the electronic structure of the ionized states, such as molecular symmetry and the spatial distribution of ionizing orbitals, was analyzed. In Fe(CO)(5), an attractive interaction was obtained for the equatorial CO, while the interaction for the axial CO direction was repulsive. For Co(eta(5)-C(5)H(5))(CO)(2), the interaction potential in the direction of both Co-C-O and Co-Cp ring was attractive. These anisotropic interactions and ionizing orbital distributions consistently explain the relative slopes of the CEDPICS.

Correlated kinetic energy density functional of ground states of harmonically confined two-electron atoms for arbitrary interparticle interaction

International Nuclear Information System (INIS)

Amovilli, C; March, N H

2012-01-01

Utilizing the earlier work of Holas et al (2003 Phys. Lett. A 310 451) and the more recent contribution of Akbari et al (2009 Phys. Rev. A 80 032509), we construct an integral equation for the relative motion (RM) contribution t RM (r) to the correlated kinetic energy density for modelling two-electron atoms with harmonic confinement but arbitrary interparticle interaction. It is stressed that t RM = t RM [f(G)], where f(G) is the atomic scattering factor: the Fourier transform of the density ρ(r). As a simple illustrative example of this functional relation for the correlated kinetic energy density, the harmonic Moshinsky case is investigated, the scattering factor then having a Gaussian form. (paper)

The Role of Low-Energy (less than 20 eV) Electrons in Astrochemistry: A Tale of Two Molecules

Science.gov (United States)

Arumainayagam, Chris

2016-07-01

In the interstellar medium, UV photolysis of ice mantles encasing dust grains is thought to be the mechanism that drives the synthesis of "complex" molecules. The source of this reaction-initiating UV light is assumed to be local because externally-sourced UV radiation cannot pass through the ice-containing dark, dense molecular clouds. Externally sourced cosmic rays (E_{max} ˜10^{20} eV), in addition to producing UV light within these clouds, also produce large numbers of low-energy (≤ 20 eV) secondary electrons. The goal of our studies is to understand the low-energy electron-induced processes that occur when high-energy cosmic rays interact with interstellar ices. Using electron stimulated desorption (ESD), post-irradiation temperature-programmed desorption (TPD), and infrared reflection absorption spectroscopy (IRAS), we have investigated the radiolysis initiated by electrons in condensed methanol and ammonia at ˜90K under ultrahigh vacuum (1 × 10^{-9} Torr) conditions. We have identified fifteen low-energy electron-induced methanol radiolysis products, many of which have been previously identified as being formed by methanol UV photolysis in the interstellar medium. We have also found evidence for the electron-induced formation from ammonia of hydrazine (N_2 H_4), diazene (N_2 H_2), cyclotriazane/triazene (N_3 H_3) and triazane (N_3 H_5). We have investigated the reaction yields' dependence on film thickness, irradiation time, incident current, electron energy, and metal substrate. These results provide a basis from which we can begin to understand the mechanisms by which methanol and ammonia can form more complex species in cosmic ices. Studies such as ours may ultimately help us better understand the initial stages of the genesis of life.

Power Electronics, Energy Harvesting and Renewable Energies Laboratory

Data.gov (United States)

Federal Laboratory Consortium — The research in the Power Electronics, Energy Harvesting and Renewable Energies Laboratory (PEHREL) is mainly focused on investigation, modeling, simulation, design,...

Secondary electron emission yield in the limit of low electron energy

CERN Document Server

Andronov, A.N.; Kaganovich, I.D.; Startsev, E.A.; Raitses, Y.; Demidov, V.I.

2013-04-22

Secondary electron emission (SEE) from solids plays an important role in many areas of science and technology.1 In recent years, there has been renewed interest in the experimental and theoretical studies of SEE. A recent study proposed that the reflectivity of very low energy electrons from solid surface approaches unity in the limit of zero electron energy2,3,4, If this was indeed the case, this effect would have profound implications on the formation of electron clouds in particle accelerators,2-4 plasma measurements with electrostatic Langmuir probes, and operation of Hall plasma thrusters for spacecraft propulsion5,6. It appears that, the proposed high electron reflectivity at low electron energies contradicts to numerous previous experimental studies of the secondary electron emission7. The goal of this note is to discuss possible causes of these contradictions.

Coulomb repulsion in (TMTSF)2X and (TMTTF)2X

DEFF Research Database (Denmark)

Mortensen, Kell; Engler, E. M.

1985-01-01

On the basis of studies of transport properties of (TMTSF)2 X, (TMTTF)2X and their binary alloys the authors discuss the role of on-site Coulomb repulsion relative to the transfer integrals. In TMTTF-salts U/ta are believed to be large, resulting in a Hubbard gap, whereas U/ta in TMTSF-salts are ......On the basis of studies of transport properties of (TMTSF)2 X, (TMTTF)2X and their binary alloys the authors discuss the role of on-site Coulomb repulsion relative to the transfer integrals. In TMTTF-salts U/ta are believed to be large, resulting in a Hubbard gap, whereas U/ta in TMTSF...

Stability of electron-beam energy monitor for quality assurance of the electron-beam energy from radiotherapy accelerators

International Nuclear Information System (INIS)

Chida, Koichi; Zuguchi, Masayuki; Saito, Haruo; Takai, Yoshihiro; Mitsuya, Masatoshi; Sakakida, Hideharu; Yamada, Shogo; Kohzuki, Masahiro

2002-01-01

Information on electron energy is important in planning radiation therapy using electrons. The Geske 3405 electron beam energy monitor (Geske monitor, PTW Nuclear Associates, Carle Place, NY, USA) is a device containing nine ionization chambers for checking the energy of the electron beams produced by radiotherapy accelerators. We wondered whether this might increase the likelihood of ionization chamber trouble. In spite of the importance of the stability of such a quality assurance (QA) device, there are no reports on the stability of values measured with a Geske monitor. The purpose of this paper was therefore to describe the stability of a Geske monitor. It was found that the largest coefficient of variation (CV) of the Geske monitor measurements was approximately 0.96% over a 21-week period. In conclusion, the stability of Geske monitor measurements of the energy of electron beams from a linear accelerator was excellent. (author)

Review - On-chip diamagnetic repulsion in continuous flow

Directory of Open Access Journals (Sweden)

Mark D Tarn, Noriyuki Hirota, Alexander Iles and Nicole Pamme

2009-01-01

Full Text Available We explore the potential of a microfluidic continuous flow particle separation system based on the repulsion of diamagnetic materials from a high magnetic field. Diamagnetic polystyrene particles in paramagnetic manganese (II chloride solution were pumped into a microfluidic chamber and their deflection behaviour in a high magnetic field applied by a superconducting magnet was investigated. Two particle sizes (5 and 10 μm were examined in two concentrations of MnCl2 (6 and 10%. The larger particles were repelled to a greater extent than the smaller ones, and the effect was greatly enhanced when the particles were suspended in a higher concentration of MnCl2. These findings indicate that the system could be viable for the separation of materials of differing size and/or diamagnetic susceptibility, and as such could be suitable for the separation and sorting of small biological species for subsequent studies.

Power Electronics for Renewable Energy Systems

DEFF Research Database (Denmark)

Choi, U. M.; Lee, K. B.; Blaabjerg, Frede

2012-01-01

The use of renewable energy sources are increased because of the depletion of natural resources and the increasing pollution level from energy production. The wind energy and the solar energy are most widely used among the renewable energy sources. Power electronics is needed in almost all kinds...... of renewable energy system. It controls the renewable source and interfaces with the load effectively, which can be grid-connected or van work in stand-alone mode. In this presentation, overview of wind and photovoltaic energy systems are introduced. Next, the power electronic circuits behind the most common...

Benchmarking NaI(Tl) Electron Energy Resolution Measurements

International Nuclear Information System (INIS)

Mengesha, Wondwosen; Valentine, J D.

2002-01-01

A technique for validating electron energy resolution results measured using the modified Compton coincidence technique (MCCT) has been developed. This technique relies on comparing measured gamma-ray energy resolution with calculated values that were determined using the measured electron energy resolution results. These gamma-ray energy resolution calculations were based on Monte Carlo photon transport simulations, the measured NaI(Tl) electron response, a simplified cascade sequence, and the measured electron energy resolution results. To demonstrate this technique, MCCT-measured NaI(Tl) electron energy resolution results were used along with measured gamma-ray energy resolution results from the same NaI(Tl) crystal. Agreement to within 5% was observed for all energies considered between the calculated and measured gamma-ray energy resolution results for the NaI(Tl) crystal characterized. The calculated gamma-ray energy resolution results were also compared with previously published gamma-ray energy resolution measurements with good agreement (<10%). In addition to describing the validation technique that was developed in this study and the results, a brief review of the electron energy resolution measurements made using the MCCT is provided. Based on the results of this study, it is believed that the MCCT-measured electron energy resolution results are reliable. Thus, the MCCT and this validation technique can be used in the future to characterize the electron energy resolution of other scintillators and to determine NaI(Tl) intrinsic energy resolution

Low-energy electron microdosimetry of CS-137

International Nuclear Information System (INIS)

Paschoa, A.S.; Wrenn, M.E.

1980-09-01

The mass of tissue irradiated by an internal emitter depends upon the distribution of the radionuclide within the organism and the type of radiation emitted. The range (95% absorption) of low-energy electron effectively defines the sensitive volume in which the energy of the emitted electron is deposited. Accordingly, in the case of Auger electron microdosimetry of internal emitters the correct definition of the sensitive volume is of paramount importance. The amount of energy delivered by the monoenergetic electrons emitted by the decay system 137 Cs → sup(137m)Ba to spherical volumes of water-like tissue media of radii equivalent to the estimated ranges of those electrons in water is calculated and discussed as far as the variations of the estimated ranges of electrons as a function of the initial energy of emission are concerned. Although there are still many uncertainties on the actual ranges of low-energy electrons, one can state confidently that the ranges of the Auger electrons of the decay system 137 Cs → 137 sup(m) Ba → 137 Ba can be considered to be in the same order of magnitude of the diameter of a cell. The energy deposition in spherical volumes of water-like tissue media, considered equivalent to the sensitive volumes for the Auger electrons of the decay system 137 Cs → 137 sub(m) Ba → 137 Ba, range for several orders of magnitude from 10 2 to about 10 10 times higher than the energy deposition in similar media by the internal conversion electrons of this decay system. If equivalent variations of energy deposition per unit mass occur when the masses considered are cellular, and subcellular structures, then the effects into the sensitive volume should be taken into biological consideration as far as the microdosimetry of low-energy electrons (approximately equal to 10 keV) is considered, whenever there is internal localization of Auger emitters. (Author) [pt

Electron-neutrino scattering off nuclei from two different theoretical perspectives

CERN Document Server

Martini, M.; Ericson, M.; Pandey, V.; Van Cuyck, T.; Van Dessel, N.

2016-01-01

We analyze charged-current electron-neutrino cross sections on Carbon. We consider two different theoretical approaches, on one hand the Continuum Random Phase Approximation (CRPA) which allows a description of giant resonances and quasielastic excitations, on the other hand the RPA-based calculations which are able to describe multinucleon emission and coherent and incoherent pion production as well as quasielastic excitations. We compare the two approaches in the genuine quasielastic channel, and find a satisfactory agreement between them at large energies while at low energies the collective giant resonances show up only in the CRPA approach. We also compare electron-neutrino cross sections with the corresponding muon-neutrino ones in order to investigate the impact of the different charged-lepton masses. Finally, restricting to the RPA-based approach we compare the sum of quasielastic, multinucleon emission, coherent and incoherent one-pion production cross sections (folded with the electron-neutrino T2K ...

Impurity with two electrons in the spherical quantum dot with Unite confinement potential

International Nuclear Information System (INIS)

Baghdasaryan, D A; Ghaltaghchyan, H Ts; Kazaryan, E M; Sarkisyan, H A

2016-01-01

Two-electron states in a spherical QD with the hydrogenic impurity located in the center and with a finite height confinement potential barrier are investigated. The effective mass mismatch have been taken into account. The dependence of ground state energy and Coulomb electron-electron interaction energy correction on the QD size is studied. The problem of the state exchange time control in QD is discussed, taking into account the spins of the electrons in the Russell-Saunders approximation. The effect of quantum emission has been shown. (paper)

Angle-resolved electron energy loss spectroscopy in hexagonal boron nitride

Science.gov (United States)

Fossard, Frédéric; Sponza, Lorenzo; Schué, Léonard; Attaccalite, Claudio; Ducastelle, François; Barjon, Julien; Loiseau, Annick

2017-09-01

Electron energy loss spectra were measured on hexagonal boron nitride single crystals employing an electron energy loss spectroscopic setup composed of an electron microscope equipped with a monochromator and an in-column filter. This setup provides high-quality energy-loss spectra and allows also for the imaging of energy-filtered diffraction patterns. These two acquisition modes provide complementary pieces of information, offering a global view of excitations in reciprocal space. As an example of the capabilities of the method we show how easily the core loss spectra at the K edges of boron and nitrogen can be measured and imaged. Low losses associated with interband and/or plasmon excitations are also measured. This energy range allows us to illustrate that our method provides results whose quality is comparable to that obtained from nonresonant x-ray inelastic scattering but with advantageous specificities such as an enhanced sensitivity at low q and a much greater simplicity and versatility that make it well adapted to the study of two-dimensional materials and related heterostructures. Finally, by comparing theoretical calculations to our measures, we are able to relate the range of applicability of ab initio calculations to the anisotropy of the sample and assess the level of approximation required for a proper simulation of our acquisition method.

Details of 1π sr wide acceptance angle electrostatic lens for electron energy and two-dimensional angular distribution analysis combined with real space imaging

International Nuclear Information System (INIS)

Tóth, László; Matsuda, Hiroyuki; Matsui, Fumihiko; Goto, Kentaro; Daimon, Hiroshi

2012-01-01

We propose a new 1π sr Wide Acceptance Angle Electrostatic Lens (WAAEL), which works as a photoemission electron microscope (PEEM), a highly sensitive display-type electron energy and two-dimensional angular distribution analyzer. It can display two-dimensional angular distributions of charged particles within the acceptance angle of ±60° that is much larger than the largest acceptance angle range so far and comparable to the display-type spherical mirror analyzer developed by Daimon et al. . It has good focusing capabilities with 5-times magnification and 27(4) μm lateral-resolution. The relative energy resolution is typically from 2 to 5×10 -3 depending on the diameter of energy aperture and the emission area on the sample. Although, the lateral resolution of the presented lens is far from those are available nowadays, but this is the first working model that can form images using charged particles collected from 1π sr wide acceptance angle. The realization of such lens system is one of the first possible steps towards reaching the field of imaging type atomic resolution electron microscopy Feynman et al. Here some preliminary results are shown.

Some energy and angular characteristics of electrons in electromagnetic cascades in air

Science.gov (United States)

Stanev, T.; Vankov, Kh.; Petrov, S.; Elbert, J. W.

The angular distribution of electrons with threshold energies of 20 MeV (the lowest energy at which electrons radiate Cerenkov photons in the air) are considered. The results are based on Monte Carlo calculations of the development of electromagnetic cascades. A set of showers with energy thresholds equals 20 MeV and primary photon energies equals 10, 20, 30, and 100 GeV is simulated. Information about the particle properties (energy, angle, and radial displacement) is provided at each radiation length of depth. The electrons are at much smaller angles to the shower axis than were those of Messel and Crawford (1970); this explains the discrepancy in angular distribution of Cerenkov light in air between the two.

Levodopa increases oxidative stress and repulsive guidance molecule A levels: a pilot study in patients with Parkinson's disease.

Science.gov (United States)

Müller, Thomas; Trommer, Isabel; Muhlack, Siegfried; Mueller, Bernhard K

2016-04-01

Exposure to free radicals influences synthesis, degradation and function of proteins, such as repulsive guidance molecule A. Decay of this protein is essential for neuronal maintenance and recovery. Levodopa elevates oxidative stress. Therefore levodopa may impact repulsive guidance molecule A metabolism. Objectives were to investigate plasma concentrations of repulsive guidance molecule A, levodopa, cysteine and cysteinyl-glycine before and 1 h after levodopa application in patients with Parkinson's disease. Cysteine and cysteinyl-glycine as biomarkers for oxidative stress exposure decreased, repulsive guidance molecule A and levodopa rose. Repulsive guidance molecule A remained unchanged in levodopa naïve patients, but particularly went up in patients on a prior chronic levodopa regimen. Decay of cysteine specifically cysteinyl-glycine results from an elevated glutathione generation with rising cysteine consumption respectively from the alternative glutathione transformation to its oxidized form glutathione disulfide after free radical scavenging. Repulsive guidance molecule A rise may inhibit physiologic mechanisms for neuronal survival.

Isomorphs in the phase diagram of a model liquid without inverse power law repulsion

DEFF Research Database (Denmark)

Veldhorst, Arnold Adriaan; Bøhling, Lasse; Dyre, J. C.

2012-01-01

scattering function are calculated. The results are shown to reflect a hidden scale invariance; despite its exponential repulsion the Buckingham potential is well approximated by an inverse power-law plus a linear term in the region of the first peak of the radial distribution function. As a consequence...... the dynamics of the viscous Buckingham liquid is mimicked by a corresponding model with purely repulsive inverse-power-law interactions. The results presented here closely resemble earlier results for Lennard-Jones type liquids, demonstrating that the existence of strong correlations and isomorphs does...... not depend critically on the mathematical form of the repulsion being an inverse power law....

Gauche effect in 1,2-difluoroethane. Hyperconjugation, bent bonds, steric repulsion.

Science.gov (United States)

Goodman, Lionel; Gu, Hongbing; Pophristic, Vojislava

2005-02-17

Natural bond orbital deletion calculations show that whereas the gauche preference arises from vicinal hyperconjugative interaction between anti C-H bonds and C-F* antibonds, the cis C-H/C-F* interactions are substantial (approximately 25% of the anti interaction). The established significantly >60 degrees FCCF dihedral angle for the equilibrium conformer can then be rationalized in terms of the hyperconjugation model alone by taking into account both anti interactions that maximize near 60 degrees and the smaller cis interactions that maximize at a much larger dihedral angle. This explanation does not invoke repulsive forces to rationalize the 72 degrees equilibrium conformer angle. The relative minimum energy for the trans conformer is the consequence of a balance between decreasing hyperconjugative stabilization and decreasing steric destabilization as the FCCF torsional angle approaches 180 degrees . The torsional coordinate is predicted to be strongly contaminated by CCF bending, with the result that approximately half of the trans --> gauche stabilization energy stems from mode coupling.

Secondary Electrons as an Energy Source for Life.

Science.gov (United States)

Stelmach, Kamil B; Neveu, Marc; Vick-Majors, Trista J; Mickol, Rebecca L; Chou, Luoth; Webster, Kevin D; Tilley, Matt; Zacchei, Federica; Escudero, Cristina; Flores Martinez, Claudio L; Labrado, Amanda; Fernández, Enrique J G

2018-01-01

Life on Earth is found in a wide range of environments as long as the basic requirements of a liquid solvent, a nutrient source, and free energy are met. Previous hypotheses have speculated how extraterrestrial microbial life may function, among them that particle radiation might power living cells indirectly through radiolytic products. On Earth, so-called electrophilic organisms can harness electron flow from an extracellular cathode to build biomolecules. Here, we describe two hypothetical mechanisms, termed "direct electrophy" and "indirect electrophy" or "fluorosynthesis," by which organisms could harness extracellular free electrons to synthesize organic matter, thus expanding the ensemble of potential habitats in which extraterrestrial organisms might be found in the Solar System and beyond. The first mechanism involves the direct flow of secondary electrons from particle radiation to a microbial cell to power the organism. The second involves the indirect utilization of impinging secondary electrons and a fluorescing molecule, either biotic or abiotic in origin, to drive photosynthesis. Both mechanisms involve the attenuation of an incoming particle's energy to create low-energy secondary electrons. The validity of the hypotheses is assessed through simple calculations showing the biomass density attainable from the energy supplied. Also discussed are potential survival strategies that could be used by organisms living in possible habitats with a plentiful supply of secondary electrons, such as near the surface of an icy moon. While we acknowledge that the only definitive test for the hypothesis is to collect specimens, we also describe experiments or terrestrial observations that could support or nullify the hypotheses. Key Words: Radiation-Electrophiles-Subsurface life. Astrobiology 18, 73-85.

Construction of energy loss function for low-energy electrons in helium

Energy Technology Data Exchange (ETDEWEB)

Dayashankar, [Bhabha Atomic Research Centre, Bombay (India). Div. of Radiation Protection

1976-02-01

The energy loss function for electrons in the energy range from 50 eV to 1 keV in helium gas has been constructed by considering separately the energy loss in overcoming the ionization threshold, the loss manifested as kinetic energy of secondary electrons and the loss in the discrete state excitations. This has been done by utilizing recent measurements of Opal et al. on the energy spectrum of secondary electrons and incorporating the experimental data on cross sections for twenty-four excited states. The present results of the energy loss function are in good agreement with the Bethe formula for energies above 500 eV. For lower energies, where the Bethe formula is not applicable, the present results should be particularly useful.

Mode repulsion of ultrasonic guided waves in rails

CSIR Research Space (South Africa)

Loveday, Philip W

2018-03-01

Full Text Available . The modes can therefore be numbered in the same way that Lamb waves in plates are numbered, making it easier to communicate results. The derivative of the eigenvectors with respect to wavenumber contains the same repulsion term and shows how the mode shapes...

A coordinated two-satellite study of energetic electron precipitation events

International Nuclear Information System (INIS)

Imhof, W.L.; Nakano, G.H.; Gaines, E.E.; Reagan, J.B.

1975-01-01

A new technique for studying the spatial/temporal variations of energetic electron precipitation events is investigated. Data are presented in which precipitating electrons were measured simultaneously on two coordinated polar-orbiting satellites and the bremsstrahlung produced by the electrons precipitating into the atmosphere was observed from one of the satellites. Two electron spectrometers measuring the intensities and energy spectra of electrons of >130 keV were located on the oriented satellite 1971-089A (altitude, approx. =800 km), whereas a single similar spectrometer measuring electrons of >160 keV was located on the spinning low-altitude (approx.750 km) satellite 1972-076B. The X rays of >50 keV were measured with a 50-cm 3 germanium spectrometer placed on the 1972-076B satellite. With the coordinated data a study is made of events in which large fluctuations were observed in the precipitating energetic electron intensities. In the examples presented the satellite X ray data alone demonstrate that the spatially integrated electron influx was constant in time, and when the X ray data are combined with the direct electron measurements from the two satellites, the resulting data suggest that the major features in the flux profiles were primarily spatial in nature. The combination of X ray and electron measurements from two satellites is shown to provide an important method for studying and attempting to resolve spatial and temporal effects

Energetic, structural and electronic properties of metal vacancies in strained AlN/GaN interfaces.

Science.gov (United States)

Kioseoglou, J; Pontikis, V; Komninou, Ph; Pavloudis, Th; Chen, J; Karakostas, Th

2015-04-01

AlN/GaN heterostructures have been studied using density-functional pseudopotential calculations yielding the formation energies of metal vacancies under the influence of local interfacial strains, the associated charge distribution and the energies of vacancy-induced electronic states. Interfaces are built normal to the polar direction of the wurtzite structure by joining two single crystals of AlN and GaN that are a few atomic layers thick; thus, periodic boundary conditions generate two distinct heterophase interfaces. We show that the formation energy of vacancies is a function of their distance from the interfaces: the vacancy-interface interaction is found repulsive or attractive, depending on the type of the interface. When the interaction is attractive, the vacancy formation energy decreases with increasing the associated electric charge, and hence the equilibrium vacancy concentration at the interface is greater. This finding can reveal the well-known morphological differences existing between the two types of investigated interfaces. Moreover, we found that the electric charge is strongly localized around the Ga vacancy, while in the case of Al vacancies is almost uniformly distributed throughout the AlN/GaN heterostructure. Crucially, for the applications of heterostructures, metal vacancies introduce deep states in the calculated bandgap at energy levels from 0.5 to 1 eV above the valence band maximum (VBM). It is, therefore, predicted that vacancies could initiate 'green luminescence' i.e. light emission in the energy range of 2.5 eV stemming from electronic transitions between these extra levels, and the conduction band, or energy levels, due to shallow donors.

Low-energy electron collisions with metal clusters: Electron capture and cluster fragmentation

International Nuclear Information System (INIS)

Kresin, V.V.; Scheidemann, A.; Knight, W.D.

1993-01-01

The authors have carried out the first measurement of absolute cross sections for the interaction between electrons and size-resolved free metal clusters. Integral inelastic scattering cross sections have been determined for electron-Na n cluster collisions in the energy range from 0.1 eV to 30 eV. At energies ≤1 eV, cross sections increase with decreasing impact energies, while at higher energies they remain essentially constant. The dominant processes are electron attachment in the low-energy range, and collision-induced fragmentation at higher energies. The magnitude of electron capture cross sections can be quantitatively explained by the effect of the strong polarization field induced in the cluster by the incident electron. The cross sections are very large, reaching values of hundreds of angstrom 2 ; this is due to the highly polarizable nature of metal clusters. The inelastic interaction range for fragmentation collisions is also found to considerably exceed the cluster radius, again reflecting the long-range character of electron-cluster interactions. The important role played by the polarization interaction represents a bridge between the study of collision processes and the extensive research on cluster response properties. Furthermore, insight into the mechanisms of electron scattering is important for understanding production and detection of cluster ions in mass spectrometry and related processes

Excitation energies with linear response density matrix functional theory along the dissociation coordinate of an electron-pair bond in N-electron systems

International Nuclear Information System (INIS)

Meer, R. van; Gritsenko, O. V.; Baerends, E. J.

2014-01-01

Time dependent density matrix functional theory in its adiabatic linear response formulation delivers exact excitation energies ω α and oscillator strengths f α for two-electron systems if extended to the so-called phase including natural orbital (PINO) theory. The Löwdin-Shull expression for the energy of two-electron systems in terms of the natural orbitals and their phases affords in this case an exact phase-including natural orbital functional (PILS), which is non-primitive (contains other than just J and K integrals). In this paper, the extension of the PILS functional to N-electron systems is investigated. With the example of an elementary primitive NO functional (BBC1) it is shown that current density matrix functional theory ground state functionals, which were designed to produce decent approximations to the total energy, fail to deliver a qualitatively correct structure of the (inverse) response function, due to essential deficiencies in the reconstruction of the two-body reduced density matrix (2RDM). We now deduce essential features of an N-electron functional from a wavefunction Ansatz: The extension of the two-electron Löwdin-Shull wavefunction to the N-electron case informs about the phase information. In this paper, applications of this extended Löwdin-Shull (ELS) functional are considered for the simplest case, ELS(1): one (dissociating) two-electron bond in the field of occupied (including core) orbitals. ELS(1) produces high quality ω α (R) curves along the bond dissociation coordinate R for the molecules LiH, Li 2 , and BH with the two outer valence electrons correlated. All of these results indicate that response properties are much more sensitive to deficiencies in the reconstruction of the 2RDM than the ground state energy, since derivatives of the functional with respect to both the NOs and the occupation numbers need to be accurate

Dependence of electron inelastic mean free paths on electron energy and materials at low energy region, 1

International Nuclear Information System (INIS)

Tanuma, Shigeo; Powell, C.J.; Penn, D.R.

1990-01-01

We have proposed a general formula of electron inelastic mean free path (IMFP) to describe the calculated IMFPs over the 50-2000 eV energy range based on the Inokuti's modified Bethe formula for the inelastic scattering cross section. The IMFPs for 50-2000 eV electrons in 27 elements were calculated using Penn's algorithm. The IMFP dependence on electron energy in the range 50-200 eV varies considerably from material to material. These variations are associated with substantial differences in the electron energy-loss functions amongst the material. We also found that the modified Bethe formula by Inokuti could be fitted to the calculated IMFPs in the range 50-2000 eV within 3% relative error. (author)

Scaling in soft spheres: fragility invariance on the repulsive potential softness

International Nuclear Information System (INIS)

Michele, Cristiano De; Sciortino, Francesco; Coniglio, Antonio

2004-01-01

We address the question of the dependence of the fragility of glass forming supercooled liquids on the 'softness' of an interacting potential by performing numerical simulation of a binary mixture of soft spheres with different power n of the interparticle repulsive potential. We show that the temperature dependence of the diffusion coefficients for various n collapses onto a universal curve, supporting the unexpected view that fragility is not related to the hard core repulsion. We also find that the configurational entropy correlates with the slowing down of the dynamics for all studied n. (letter to the editor)

Repulsive Casimir-Polder forces from cosmic strings

International Nuclear Information System (INIS)

Saharian, A.A.; Kotanjyan, A.S.

2011-01-01

We investigate the Casimir-Polder force acting on a polarizable microparticle in the geometry of a straight cosmic string. In order to develop this analysis we evaluate the electromagnetic field Green tensor on the imaginary frequency axis. The expression for the Casimir-Polder force is derived in the general case of anisotropic polarizability. In dependence on the eigenvalues for the polarizability tensor and of the orientation of its principal axes, the Casimir-Polder force can be either repulsive or attractive. Moreover, there are situations where the force changes the sign with separation. We show that for an isotropic polarizability tensor the force is always repulsive. At large separations between the microparticle and the string, the force varies inversely with the fifth power of the distance. In the non-retarded regime, corresponding to separations smaller than the relevant transition wavelengths, the force decays with the inverse fourth power of the distance. In the case of anisotropic polarizability, the dependence of the Casimir-Polder potential on the orientation of the polarizability tensor principal axes also leads to a moment of force acting on the particle. (orig.)

Monte Carlo simulation of energy deposition by low-energy electrons in molecular hydrogen

Science.gov (United States)

Heaps, M. G.; Furman, D. R.; Green, A. E. S.

1975-01-01

A set of detailed atomic cross sections has been used to obtain the spatial deposition of energy by 1-20-eV electrons in molecular hydrogen by a Monte Carlo simulation of the actual trajectories. The energy deposition curve (energy per distance traversed) is quite peaked in the forward direction about the entry point for electrons with energies above the threshold of the electronic states, but the peak decreases and broadens noticeably as the electron energy decreases below 10 eV (threshold for the lowest excitable electronic state of H2). The curve also assumes a very symmetrical shape for energies below 10 eV, indicating the increasing importance of elastic collisions in determining the shape of the curve, although not the mode of energy deposition.

High-resolution monochromated electron energy-loss spectroscopy of organic photovoltaic materials.

Science.gov (United States)

Alexander, Jessica A; Scheltens, Frank J; Drummy, Lawrence F; Durstock, Michael F; Hage, Fredrik S; Ramasse, Quentin M; McComb, David W

2017-09-01

Advances in electron monochromator technology are providing opportunities for high energy resolution (10 - 200meV) electron energy-loss spectroscopy (EELS) to be performed in the scanning transmission electron microscope (STEM). The energy-loss near-edge structure in core-loss spectroscopy is often limited by core-hole lifetimes rather than the energy spread of the incident illumination. However, in the valence-loss region, the reduced width of the zero loss peak makes it possible to resolve clearly and unambiguously spectral features at very low energy-losses (photovoltaics (OPVs): poly(3-hexlythiophene) (P3HT), [6,6] phenyl-C 61 butyric acid methyl ester (PCBM), copper phthalocyanine (CuPc), and fullerene (C 60 ). Data was collected on two different monochromated instruments - a Nion UltraSTEM 100 MC 'HERMES' and a FEI Titan 3 60-300 Image-Corrected S/TEM - using energy resolutions (as defined by the zero loss peak full-width at half-maximum) of 35meV and 175meV, respectively. The data was acquired to allow deconvolution of plural scattering, and Kramers-Kronig analysis was utilized to extract the complex dielectric functions. The real and imaginary parts of the complex dielectric functions obtained from the two instruments were compared to evaluate if the enhanced resolution in the Nion provides new opto-electronic information for these organic materials. The differences between the spectra are discussed, and the implications for STEM-EELS studies of advanced materials are considered. Copyright © 2017 Elsevier B.V. All rights reserved.

Ferrocene Orientation Determined Intramolecular Interactions Using Energy Decomposition Analysis

Directory of Open Access Journals (Sweden)

Feng Wang

2015-11-01

Full Text Available Two very different quantum mechanically based energy decomposition analyses (EDA schemes are employed to study the dominant energy differences between the eclipsed and staggered ferrocene conformers. One is the extended transition state (ETS based on the Amsterdam Density Functional (ADF package and the other is natural EDA (NEDA based in the General Atomic and Molecular Electronic Structure System (GAMESS package. It reveals that in addition to the model (theory and basis set, the fragmentation channels more significantly affect the interaction energy terms (ΔE between the conformers. It is discovered that such an interaction energy can be absorbed into the pre-partitioned fragment channels so that to affect the interaction energies in a particular conformer of Fc. To avoid this, the present study employs a complete fragment channel—the fragments of ferrocene are individual neutral atoms. It therefore discovers that the major difference between the ferrocene conformers is due to the quantum mechanical Pauli repulsive energy and orbital attractive energy, leading to the eclipsed ferrocene the energy preferred structure. The NEDA scheme further indicates that the sum of attractive (negative polarization (POL and charge transfer (CL energies prefers the eclipsed ferrocene. The repulsive (positive deformation (DEF energy, which is dominated by the cyclopentadienyle (Cp rings, prefers the staggered ferrocene. Again, the cancellation results in a small energy residue in favour of the eclipsed ferrocene, in agreement with the ETS scheme. Further Natural Bond Orbital (NBO analysis indicates that all NBO energies, total Lewis (no Fe and lone pair (LP deletion all prefer the eclipsed Fc conformer. The most significant energy preferring the eclipsed ferrocene without cancellation is the interactions between the donor lone pairs (LP of the Fe atom and the acceptor antibond (BD* NBOs of all C–C and C–H bonds in the ligand, LP(Fe-BD*(C–C & C�

Low energy electron scattering from fuels

International Nuclear Information System (INIS)

Lopes, M. Cristina A.; Silva, Daniel G.M.; Coelho, Rafael F.; Duque, Humberto V.; Santos, Rodrigo R. dos; Ribeiro, Thiago M.

2011-01-01

Full text. Accurate and precise values of absolute total cross section (TCS) represent important information in many scientific and technological applications. In our case, for example, we are motivated to provide such information for electron-fuel collision processes which are specifically relevant to modeling spark ignition in alcohol-fuelled internal combustion engines. Many electron scattering TCS measurements are presently available for a diverse range of atomic and molecular targets. However, lack of data for important bio-molecular targets still remains. Disagreements between the available TCS data for the alcohols have prompted several studies of electron scattering collision of slow electrons with these molecules which are currently important in applications as bio- fuels. This relevance, which has attracted much attention, has been one of the subjects of a recent collaboration between experimental and theoretical groups in the USA and Brazil. Recently this collaboration reported first measurements and calculations of differential cross sections for elastic low-energy (rotationally unresolved) electron scattering by several primary alcohols. In this work we address methanol and ethanol TCSs at low energy range and report additional studies of resonant structure in ethanol using the detection of metastable states produced by electron impact excitation with high energy resolution. We have recently constructed a TCS apparatus in our laboratory at Universidade Federal de Juiz de Fora, Brazil, based on the well-known linear transmission technique. The experimental setup is based on the measurement of the attenuation of a collimated electron beam through a gas cell containing the atoms or molecules to be studied at a given pressure. It consists essentially of an electron gun, a gas cell and an electron energy analyzer composed of an array of decelerating electrostatic lenses, a cylindrical dispersive 127o analyzer and a Faraday cup. To our knowledge, there exist

Low energy electron scattering from fuels

Energy Technology Data Exchange (ETDEWEB)

Lopes, M. Cristina A.; Silva, Daniel G.M.; Coelho, Rafael F.; Duque, Humberto V.; Santos, Rodrigo R. dos; Ribeiro, Thiago M. [Universidade Federal de Juiz de Fora (UFJF), MG (Brazil). Dept. de Fisica; Yates, Brent; Hong, Ling; Khakoo, Murtadha A. [California State University at Fullerton, CA (US). Physics Department; Bettega, Marcio H.F. [Universidade Federal do Parana (UFPR), Curitiba, PR (Brazil). Dept. de Fisica; Costa, Romarly F. da [Universidade Federal do ABC (UFABC), Santo Andre, SP (Brazil). Centro de Ciencias Naturais e Humanas; Lima, Marco A.P. [Laboratorio Nacional de Ciencia e Tecnologia do Bioetanol (CTBE/CNPEM), Campinas, SP (Brazil)

2011-07-01

Full text. Accurate and precise values of absolute total cross section (TCS) represent important information in many scientific and technological applications. In our case, for example, we are motivated to provide such information for electron-fuel collision processes which are specifically relevant to modeling spark ignition in alcohol-fuelled internal combustion engines. Many electron scattering TCS measurements are presently available for a diverse range of atomic and molecular targets. However, lack of data for important bio-molecular targets still remains. Disagreements between the available TCS data for the alcohols have prompted several studies of electron scattering collision of slow electrons with these molecules which are currently important in applications as bio- fuels. This relevance, which has attracted much attention, has been one of the subjects of a recent collaboration between experimental and theoretical groups in the USA and Brazil. Recently this collaboration reported first measurements and calculations of differential cross sections for elastic low-energy (rotationally unresolved) electron scattering by several primary alcohols. In this work we address methanol and ethanol TCSs at low energy range and report additional studies of resonant structure in ethanol using the detection of metastable states produced by electron impact excitation with high energy resolution. We have recently constructed a TCS apparatus in our laboratory at Universidade Federal de Juiz de Fora, Brazil, based on the well-known linear transmission technique. The experimental setup is based on the measurement of the attenuation of a collimated electron beam through a gas cell containing the atoms or molecules to be studied at a given pressure. It consists essentially of an electron gun, a gas cell and an electron energy analyzer composed of an array of decelerating electrostatic lenses, a cylindrical dispersive 127o analyzer and a Faraday cup. To our knowledge, there exist

Energy and angular distribution of electrons after transmission of thick layers

International Nuclear Information System (INIS)

Kreyling, H.

1975-01-01

In this work, the behaviour of electrons going through material-layers is studied. For a layer-thickness where the theories of multiple-scattering are no longer valid, a Monte-Carlo-method is presented for the calculation of energy distributions as a function of scattering-angle. Plastic-scintillator-material (NE 102 A produced by Nuclear Enterprises Ltd.) was bombarded by electrons with energies between 0.5 and 2.0 MeV and the energy-distributions of the electrons, scatterd in the layer, were measured as a function of the scattering-angle. With the aid of the Monte-Carlo-method developed in this paper, energy distributions were calculated as a function of scattering-angle for the two absorber materials aluminium (single-element material) and NE 102 A (chemical compound of C, N, H, O). (orig./WL) [de

Synchronous bursts on scale-free neuronal networks with attractive and repulsive coupling.

Directory of Open Access Journals (Sweden)

Qingyun Wang

Full Text Available This paper investigates the dependence of synchronization transitions of bursting oscillations on the information transmission delay over scale-free neuronal networks with attractive and repulsive coupling. It is shown that for both types of coupling, the delay always plays a subtle role in either promoting or impairing synchronization. In particular, depending on the inherent oscillation period of individual neurons, regions of irregular and regular propagating excitatory fronts appear intermittently as the delay increases. These delay-induced synchronization transitions are manifested as well-expressed minima in the measure for spatiotemporal synchrony. For attractive coupling, the minima appear at every integer multiple of the average oscillation period, while for the repulsive coupling, they appear at every odd multiple of the half of the average oscillation period. The obtained results are robust to the variations of the dynamics of individual neurons, the system size, and the neuronal firing type. Hence, they can be used to characterize attractively or repulsively coupled scale-free neuronal networks with delays.

Electron energy device for LINAC based Pulse Radiolysis Facility of RPCD

International Nuclear Information System (INIS)

Toley, M.A.; Shinde, S.J.; Chaudhari, B.B.; Sarkar, S.K.

2015-07-01

The pulse radiolysis facility is the experimental centerpiece of the radiation chemistry activities of the Radiation and Photochemistry Division (RPCD) of Bhabha Atomic Research Centre. This facility was created in 1986 which is based on a 7 MeV Linear Electron Accelerator (LINAC) procured from M/s Radiation Dynamics Ltd., UK. The electron energy is one of the principal parameters that influence the dose distribution within the sample irradiated with a beam of energetic electrons. An easy-to-use and robust device has been developed that can reliably detect day-today small variations in the beam energy. It consists of two identical aluminum plates except for their thickness, which are electrically insulated from each other. The thickness of each plate is carefully selected depending on the electron beam energy. The charge (or current) collected by each plate, under irradiation is measured. The ratio of the charge (or current) signal from the front plate to the sum of the signals from the front and rear plates is very sensitive to the beam energy. The high sensitivity and robustness make this device quite suitable for Electron energy measurement for Pulse radiolysis Facility at RPCD. (author)

Charging dynamics and strong localization of a two-dimensional electron cloud

International Nuclear Information System (INIS)

Dianoux, R; Smilde, H J H; Marchi, F; Buffet, N; Mur, P; Comin, F; Chevrier, J

2007-01-01

The dynamics of charge injection in silicon nanocrystals embedded in a silicon dioxide matrix is studied using electrostatic force microscopy. We show that the presence of silicon nanocrystals with a density of 10 11 cm -2 is essential for strong localization of charges, and results in exceptional charge retention properties compared to nanocrystal-free SiO 2 samples. In both systems, a logarithmic dependence of the diameter of the charged area on the injection time is experimentally observed on a timescale between 0.1 and 10 s (voltage≤10 V). A field-emission injection, limited by Coulomb blockade and a lateral charge spreading due to a repulsive radial electric field are used to model the sample charging. Once the tip is retracted, the electron cloud is strongly confined in the nanocrystals and remains static

Influence of high energy electrons on ECRH in LHD

Directory of Open Access Journals (Sweden)

Ogasawara S.

2012-09-01

Full Text Available The central bulk electron temperature of more than 20 keV is achieved in LHD as a result of increasing the injection power and the lowering the electron density near 2 × 1018 m−3. Such collision-less regime is important from the aspect of the neoclassical transport and also the potential structure formation. The presences of appreciable amount of high energy electrons are indicated from hard X-ray PHA, and the discrepancy between the stored energy and kinetic energy estimated from Thomson scattering. ECE spectrum are also sensitive to the presence of high energy electrons and discussed by solving the radiation transfer equation. The ECRH power absorption to the bulk and the high energy electrons are dramatically affected by the acceleration and the confinement of high energy electrons. The heating mechanisms and the acceleration process of high energy electrons are discussed by comparing the experimental results and the ray tracing calculation under assumed various density and mean energy of high energy electrons.

Binding energy and formation heat of UO2

International Nuclear Information System (INIS)

Almeida, M.R. de; Veado, J.T.; Siqueira, M.L. de

The Born-Haber cycle is utilized for the calculation of the heat of formation of UO 2 , on the assumption that the binding energy is predominantly ionic in character. The ionization potentials of U and the repulsion energy are two critical values that influence calculations. Calculations of the ionization potentials with non-relativistic Hartree-Fock-Gaspar-Kohn-Sham approximation are presented [pt

Treatment of foods with 'soft-electrons' (low-energy electrons)

International Nuclear Information System (INIS)

Hayashi, Toru; Todoriki, Setsuko

2003-01-01

Electrons with energies of 300 keV or lower were defined as soft-electrons'. Soft-electrons can eradicate microorganisms residing on the surface of grains, pulses, spices, dehydrated vegetables, tea leaves and seeds, and reduce their microbial loads to levels lower than 10 CFU/g with little quality deterioration. Soft-electrons can inactivate insect pests infesting grains and pulses and inhibit sprouting of potatoes. (author)

Two-electron time-delay interference in atomic double ionization by attosecond pulses

Energy Technology Data Exchange (ETDEWEB)

Rescigno, Thomas N

2009-10-04

A two-color two-photon atomic double ionization experiment using subfemtosecond UV pulses can be designed such that the sequential two-color process dominates and one electron is ejected by each pulse. Nonetheless, ab initio calculations show that, for sufficiently short pulses, a prominent interference pattern in the joint energy distribution of the sequentially ejected electrons can be observed that is due to their indistinguishability and the exchange symmetry of the wave function.

Two-Electron Time-Delay Interference in Atomic Double Ionization by Attosecond Pulses

International Nuclear Information System (INIS)

Palacios, A.; Rescigno, T. N.; McCurdy, C. W.

2009-01-01

A two-color two-photon atomic double ionization experiment using subfemtosecond uv pulses can be designed such that the sequential two-color process dominates and one electron is ejected by each pulse. Nonetheless, ab initio calculations show that, for sufficiently short pulses, a prominent interference pattern in the joint energy distribution of the sequentially ejected electrons can be observed that is due to their indistinguishability and the exchange symmetry of the wave function.

Attractive versus repulsive interactions in the Bose-Einstein condensation dynamics of relativistic field theories

Science.gov (United States)

Berges, J.; Boguslavski, K.; Chatrchyan, A.; Jaeckel, J.

2017-10-01

We study the impact of attractive self-interactions on the nonequilibrium dynamics of relativistic quantum fields with large occupancies at low momenta. Our primary focus is on Bose-Einstein condensation and nonthermal fixed points in such systems. For a model system, we consider O (N ) -symmetric scalar field theories. We use classical-statistical real-time simulations as well as a systematic 1 /N expansion of the quantum (two-particle-irreducible) effective action to next-to-leading order. When the mean self-interactions are repulsive, condensation occurs as a consequence of a universal inverse particle cascade to the zero-momentum mode with self-similar scaling behavior. For attractive mean self-interactions, the inverse cascade is absent, and the particle annihilation rate is enhanced compared to the repulsive case, which counteracts the formation of coherent field configurations. For N ≥2 , the presence of a nonvanishing conserved charge can suppress number-changing processes and lead to the formation of stable localized charge clumps, i.e., Q balls.

Correlation and Entanglement in Elliptically Deformed Two-Electron Quantum Dots

International Nuclear Information System (INIS)

Okopinska, A.; Koscik, P.

2011-01-01

We study quantum correlation in a two-dimensional system of two Coulombically interacting electrons trapped in an anisotropic harmonic potential in dependence on the interaction strength. The linear entropy and von Neumann entropy that measure the entanglement between the electrons are compared with the correlation energy and the statistical correlation coefficient. We observe that the entanglement properties are dramatically influenced by the anisotropy of the confining potential. We observe that the energetic and statistical correlations get stronger, whereas the entropic measures show weakening of the correlations with anisotropy. (author)

Electron energy-loss spectrometry at the frontier of spatial and energy resolution

International Nuclear Information System (INIS)

Hofer, F.; Grogger, W.; Kothleitner, G.

2004-01-01

Full text: Electron energy-loss spectroscopy (EELS) in the transmission electron microscope (TEM) is now used routinely as a means of measuring chemical and structural properties of very small regions of a thin specimen. The power of this technique depends significantly on two parameters: its spatial resolution and the energy resolution available in the spectrum and in the energy-filtered TEM (EFTEM) image. The cold field emission source and the Schottky emitter have made an energy resolution below 1 eV possible and it is now feasible to obtain data with a spatial resolution close to atomic dimensions, given the right instrumentation and specimen. EFTEM allows to record elemental maps at sub-nanometre resolution, being mainly limited by chromatic and spherical aberration of the objective lens and by delocalization of inelastic scattering. Recently the possibility of correcting spherical and even chromatic aberrations of electron lenses has become a practical reality thus improving the point resolution of the TEM to below 0.1 nm. The other limiting factor for EFTEM resolution is delocalization. However, recent measurements show that resolution values in the range of 1 nm and below can be achieved, even for energy-losses of only a few eV. In terms of energy-resolution, EELS and EFTEM compare less favourably with other spectroscopies. For common TEMs, the overall energy-resolution is mainly determined by the energy width of the electron source, typically between 0.5 and 1.5 eV. For comparison, synchrotron x-ray sources and beam line spectrometers, provide a resolution well below 0.1 eV for absorption spectroscopy. During the early sixties, the energy spread of an electron beam could be reduced by incorporating an energy-filter into the illumination system, but the system lacked spatial resolution. Later developments combined high energy resolution in the range of 0.1 eV with improved spatial resolution. Recently, FEI introduced a new high resolution EELS system based

Thermodynamics and elastic moduli of fluids with steeply repulsive potentials

Science.gov (United States)

Heyes, D. M.

1997-08-01

Analytic expressions for the thermodynamic properties and elastic moduli of molecular fluids interacting with steeply repulsive potentials are derived using Rowlinson's hard-sphere perturbation treatment which employs a softness parameter, λ specifying the deviation from the hard-sphere potential. Generic potentials of this form might be used to represent the interactions between near-hard-sphere stabilized colloids. Analytic expressions for the equivalent hard-sphere diameter of inverse power [ɛ(σ/r)n where ɛ sets the energy scale and σ the distance scale] exponential and logarithmic potential forms are derived using the Barker-Henderson formula. The internal energies in the hard-sphere limit are predicted essentially exactly by the perturbation approach when compared against molecular dynamics simulation data using the same potentials. The elastic moduli are similarly accurately predicted in the hard-sphere limit, as they are trivially related to the internal energy. The compressibility factors from the perturbation expansion do not compare as favorably with simulation data, and in this case the Carnahan-Starling equation of state prediction using the analytic effective hard-sphere diameter would appear to be a preferable route for this thermodynamic property. A more refined state point dependent definition for the effective hard-sphere diameter is probably required for this property.

Origin of Hund's multiplicity rule in quasi-two-dimensional two-electron quantum dots

International Nuclear Information System (INIS)

Sako, Tokuei; Paldus, Josef; Diercksen, Geerd H. F.

2010-01-01

The origin of Hund's multiplicity rules has been studied for a system of two electrons confined by a quasi-two-dimensional harmonic-oscillator potential by relying on a full configuration interaction wave function and Cartesian anisotropic Gaussian basis sets. In terms of appropriate normal-mode coordinates the wave function factors into a product of the center-of-mass and the internal components. The 1 Π u singlet state and the 3 Π u triplet state represent the energetically lowest pair of states to which Hund's multiplicity rule applies. They are shown to involve excitations into different degrees of freedom, namely, into the center-of-mass angular mode and the internal angular mode for the singlet and triplet states, respectively. The presence of an angular nodal line in the internal space allows then the triplet state to avoid the singularity in the electron-electron interaction potential, leading to the energy lowering of the triplet state relative to its counterpart singlet state.

Energy principle for excitations in plasmas with counterstreaming electron flows

Science.gov (United States)

Kumar, Atul; Shukla, Chandrasekhar; Das, Amita; Kaw, Predhiman

2018-05-01

A relativistic electron beam propagating through plasma induces a return electron current in the system. Such a system of interpenetrating forward and return electron current is susceptible to a host of instabilities. The physics of such instabilities underlies the conversion of the flow kinetic energy to the electromagnetic field energy. Keeping this in view, an energy principle analysis has been enunciated in this paper. Such analyses have been widely utilized earlier in the context of conducting fluids described by MHD model [I. B. Bernstein et al., Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences 244(1236), 17-40 (1958)]. Lately, such an approach has been employed for the electrostatic two stream instability for the electron beam plasma system [C. N. Lashmore-Davies, Physics of Plasmas 14(9), 092101 (2007)]. In contrast, it has been shown here that even purely growing mode like Weibel/current filamentation instability for the electron beam plasma system is amenable to such a treatment. The treatment provides an understanding of the energetics associated with the growing mode. The growth rate expression has also been obtained from it. Furthermore, it has been conclusively demonstrated in this paper that for identical values of S4=∑αn0 αv0α 2/n0γ0 α, the growth rate is higher when the counterstreaming beams are symmetric (i.e. S3 = ∑αn0αv 0α/n0γ0α = 0) compared to the case when the two beams are asymmetric (i.e. when S3 is finite). Here, v 0α, n0α and γ0α are the equilibrium velocity, electron density and the relativistic factor for the electron species `α' respectively and n0 = ∑αn0α is the total electron density. Particle - In - Cell simulations have been employed to show that the saturated amplitude of the field energy is also higher in the symmetric case.

Electron transfer rates and energy releases during denitrification of municipal wastewater

DEFF Research Database (Denmark)

Abdul-Talib, S.; Ujang, Z; Vollertsen, J.

2004-01-01

could be simplified by a two-stage process. In the first stage, nitrate was utilised with significant accumulation of nitrite. In the second stage nitrite was utilised when nitrate depleted. Denitrification rates during the two stages were expressed in terms of electron equivalents (e-eq.) in order...... to compare the process when differennt electron acceptors namlely, nitrate and nitrite were utilised. The energy release rates during the two stages were calculated and compared....

High-energy electron experiments (HEP) aboard the ERG (Arase) satellite

Science.gov (United States)

Mitani, Takefumi; Takashima, Takeshi; Kasahara, Satoshi; Miyake, Wataru; Hirahara, Masafumi

2018-05-01

This paper reports the design, calibration, and operation of high-energy electron experiments (HEP) aboard the exploration of energization and radiation in geospace (ERG) satellite. HEP detects 70 keV-2 MeV electrons and generates a three-dimensional velocity distribution for these electrons in every period of the satellite's rotation. Electrons are detected by two instruments, namely HEP-L and HEP-H, which differ in their geometric factor (G-factor) and range of energies they detect. HEP-L detects 70 keV-1 MeV electrons and its G-factor is 9.3 × 10-4 cm2 sr at maximum, while HEP-H observes 0.7-2 MeV electrons and its G-factor is 9.3 × 10-3 cm2 sr at maximum. The instruments utilize silicon strip detectors and application-specific integrated circuits to readout the incident charge signal from each strip. Before the launch, we calibrated the detectors by measuring the energy spectra of all strips using γ-ray sources. To evaluate the overall performance of the HEP instruments, we measured the energy spectra and angular responses with electron beams. After HEP was first put into operation, on February 2, 2017, it was demonstrated that the instruments performed normally. HEP began its exploratory observations with regard to energization and radiation in geospace in late March 2017. The initial results of the in-orbit observations are introduced briefly in this paper.[Figure not available: see fulltext.

Mixed-mode reversed phase/positively charged repulsion chromatography for intact protein separation.

Science.gov (United States)

Ding, Ling; Guo, Zhimou; Hu, Zhuo; Liang, Xinmiao

2017-05-10

A mixed-mode reversed phase/positively charged repulsion stationary phase C8PN composed of octyl and amino group has been developed for separation of intact protein. Before the separation of proteins, a set of probe compounds were employed to evaluate the chromatographic properties of C8PN, demonstrating typical reversed phase/positively charged repulsion interaction on this stationary phase as estimated. Then the new C8PN stationary phase was used to separate a standard protein mixture on the reversed phase mode. Compared with a commercial C4 stationary phase, it showed different selectivity for some proteins. In order to better understand the properties of C8PN, the effect of acetonitrile content was investigated based on retention equation. Higher values of the equation parameters on C8PN demonstrated that the protein retentions were more sensitive to the change of acetonitrile content. Besides, the influences of buffer salt additives on the protein retentions were also studied. The retention factors of the proteins got larger with the increase of buffer salt concentration, which confirmed the positively charged repulsion interaction on the column. Finally, the C8PN was further applied to separate oxidized- and reduced- forms of Recombinant Human Growth Hormone. Our study indicated the advantages and application potential of mixed-mode reversed phase/positively charged repulsion stationary phase for intact protein separation. Copyright © 2017 Elsevier B.V. All rights reserved.

Electronic energy states of HfSe/sub 2/ and NbSe/sub 2/ by low energy electron loss spectroscopy study

Energy Technology Data Exchange (ETDEWEB)

Ito, T; Iwami, M; Hiraki, A [Osaka Univ., Suita (Japan). Faculty of Engineering

1981-06-01

Low energy electron loss spectroscopy (ELS) study was performed on 1T-HfSe/sub 2/ (group IVB metal compound) and 2H-NbSe/sub 2/ (group VB metal compound) by using incident electron energies of 30-250 eV. From the loss data in the second derivative form, maxima in density-of-states in the conduction band of the compounds were deduced through the information on the filled core states by X-ray photoelectron spectroscopy. The conduction band of the transition-metal dichalcogenides could be divided into two parts. The results are discussed in relation to the previous work on WS/sub 2/ (group VIB metal compound), and also to proposals based on band calculations and experimental studies on the transition-metal dichalcogenides with constituent metals of group IVB, VB and VIB.

Can low energy electrons affect high energy physics accelerators?

CERN Document Server

Cimino, R; Furman, M A; Pivi, M; Ruggiero, F; Rumolo, Giovanni; Zimmermann, Frank

2004-01-01

The properties of the electrons participating in the build up of an electron cloud (EC) inside the beam-pipe have become an increasingly important issue for present and future accelerators whose performance may be limited by this effect. The EC formation and evolution are determined by the wall-surface properties of the accelerator vacuum chamber. Thus, the accurate modeling of these surface properties is an indispensible input to simulation codes aimed at the correct prediction of build-up thresholds, electron-induced instability or EC heat load. In this letter, we present the results of surface measurements performed on a prototype of the beam screen adopted for the Large Hadron Collider (LHC), which presently is under construction at CERN. We have measured the total secondary electron yield (SEY) as well as the related energy distribution curves (EDC) of the secondary electrons as a function of incident electron energy. Attention has been paid, for the first time in this context, to the probability at whic...

Relativistic effects in the energy loss of a fast charged particle moving parallel to a two-dimensional electron gas

Science.gov (United States)

Mišković, Zoran L.; Akbari, Kamran; Segui, Silvina; Gervasoni, Juana L.; Arista, Néstor R.

2018-05-01

We present a fully relativistic formulation for the energy loss rate of a charged particle moving parallel to a sheet containing two-dimensional electron gas, allowing that its in-plane polarization may be described by different longitudinal and transverse conductivities. We apply our formulation to the case of a doped graphene layer in the terahertz range of frequencies, where excitation of the Dirac plasmon polariton (DPP) in graphene plays a major role. By using the Drude model with zero damping we evaluate the energy loss rate due to excitation of the DPP, and show that the retardation effects are important when the incident particle speed and its distance from graphene both increase. Interestingly, the retarded energy loss rate obtained in this manner may be both larger and smaller than its non-retarded counterpart for different combinations of the particle speed and distance.

Full two-electron calculations of antiproton collisions with molecular hydrogen

DEFF Research Database (Denmark)

Lühr, Armin Christian; Saenz, Alejandro

2010-01-01

Total cross sections for single ionization and excitation of molecular hydrogen by antiproton impact are presented over a wide range of impact energies from 1 keV to 6.5 MeV. A nonperturbative time-dependent close-coupling method is applied to fully treat the correlated dynamics of the electrons....... Good agreement is obtained between the present calculations and experimental measurements of single-ionization cross sections at high energies, whereas some discrepancies with the experiment are found around the maximum. The importance of the molecular geometry and a full two-electron description...... is demonstrated. The present findings provide benchmark results which might be useful for the development of molecular models....

Potential energies for the two lowest 1A' electronic states of H3+

International Nuclear Information System (INIS)

Ichihara, Akira; Yokoyama, Keiichi; Iwamoto, Osamu

1998-11-01

Potential energies for the two lowest 1 A' states of H 3 + at 701 different spatial geometries are tabulated. These energies have been calculated by the ab initio full configuration interaction method with a (8s6p2d1f) Gaussian type basis set. Features of avoided crossing of two surfaces as well as the potential well in the ground state can be produced by interpolating calculated energies. These ab initio energies are expressed as a function of three internuclear distances in the range from 0.6 to 10.0 bohr, and they are applicable to the molecular dynamics study for the H + + H 2 system. (author)

High-Resolution Two-Dimensional Optical Spectroscopy of Electron Spins

Directory of Open Access Journals (Sweden)

M. Salewski

2017-08-01

Full Text Available Multidimensional coherent optical spectroscopy is one of the most powerful tools for investigating complex quantum mechanical systems. While it was conceived decades ago in magnetic resonance spectroscopy using microwaves and radio waves, it has recently been extended into the visible and UV spectral range. However, resolving MHz energy splittings with ultrashort laser pulses still remains a challenge. Here, we analyze two-dimensional Fourier spectra for resonant optical excitation of resident electrons to localized trions or donor-bound excitons in semiconductor nanostructures subject to a transverse magnetic field. Particular attention is devoted to Raman coherence spectra, which allow one to accurately evaluate tiny splittings of the electron ground state and to determine the relaxation times in the electron spin ensemble. A stimulated steplike Raman process induced by a sequence of two laser pulses creates a coherent superposition of the ground-state doublet which can be retrieved only optically because of selective excitation of the same subensemble with a third pulse. This provides the unique opportunity to distinguish between different complexes that are closely spaced in energy in an ensemble. The related experimental demonstration is based on photon-echo measurements in an n-type CdTe/(Cd,MgTe quantum-well structure detected by a heterodyne technique. The difference in the sub-μeV range between the Zeeman splittings of donor-bound electrons and electrons localized at potential fluctuations can be resolved even though the homogeneous linewidth of the optical transitions is larger by 2 orders of magnitude.

Plasma Jet Braking: Energy Dissipation and Nonadiabatic Electrons

International Nuclear Information System (INIS)

Khotyaintsev, Yu. V.; Cully, C. M.; Vaivads, A.; Andre, M.; Owen, C. J.

2011-01-01

We report in situ observations by the Cluster spacecraft of wave-particle interactions in a magnetic flux pileup region created by a magnetic reconnection outflow jet in Earth's magnetotail. Two distinct regions of wave activity are identified: lower-hybrid drift waves at the front edge and whistler-mode waves inside the pileup region. The whistler-mode waves are locally generated by the electron temperature anisotropy, and provide evidence for ongoing betatron energization caused by magnetic flux pileup. The whistler-mode waves cause fast pitch-angle scattering of electrons and isotropization of the electron distribution, thus making the flow braking process nonadiabatic. The waves strongly affect the electron dynamics and thus play an important role in the energy conversion chain during plasma jet braking.

Electron acoustic-Langmuir solitons in a two-component electron plasma

Science.gov (United States)

McKenzie, J. F.

2003-04-01

We investigate the conditions under which ‘high-frequency’ electron acoustic Langmuir solitons can be constructed in a plasma consisting of protons and two electron populations: one ‘cold’ and the other ‘hot’. Conservation of total momentum can be cast as a structure equation either for the ‘cold’ or ‘hot’ electron flow speed in a stationary wave using the Bernoulli energy equations for each species. The linearized version of the governing equations gives the dispersion equation for the stationary waves of the system, from which follows the necessary but not sufficient conditions for the existence of soliton structures; namely that the wave speed must be less than the acoustic speed of the ‘hot’ electron component and greater than the low-frequency compound acoustic speed of the two electron populations. In this wave speed regime linear waves are ‘evanescent’, giving rise to the exponential growth or decay, which readily can give rise to non-linear effects that may balance dispersion and allow soliton formation. In general the ‘hot’ component must be more abundant than the ‘cold’ one and the wave is characterized by a compression of the ‘cold’ component and an expansion in the ‘hot’ component necessitating a potential dip. Both components are driven towards their sonic points; the ‘cold’ from above and the ‘hot’ from below. It is this transonic feature which limits the amplitude of the soliton. If the ‘hot’ component is not sufficiently abundant the window for soliton formation shrinks to a narrow speed regime which is quasi-transonic relative to the ‘hot’ electron acoustic speed, and it is shown that smooth solitons cannot be constructed. In the special case of a very cold electron population (i.e. ‘highly supersonic’) and the other population being very hot (i.e. ‘highly subsonic’) with adiabatic index 2, the structure equation simplifies and can be integrated in terms of elementary

In-gap corner states in core-shell polygonal quantum rings.

Science.gov (United States)

Sitek, Anna; Ţolea, Mugurel; Niţă, Marian; Serra, Llorenç; Gudmundsson, Vidar; Manolescu, Andrei

2017-01-10

We study Coulomb interacting electrons confined in polygonal quantum rings. We focus on the interplay of localization at the polygon corners and Coulomb repulsion. Remarkably, the Coulomb repulsion allows the formation of in-gap states, i.e., corner-localized states of electron pairs or clusters shifted to energies that were forbidden for non-interacting electrons, but below the energies of corner-side-localized states. We specify conditions allowing optical excitation to those states.

In-gap corner states in core-shell polygonal quantum rings

Science.gov (United States)

Sitek, Anna; Ţolea, Mugurel; Niţă, Marian; Serra, Llorenç; Gudmundsson, Vidar; Manolescu, Andrei

2017-01-01

We study Coulomb interacting electrons confined in polygonal quantum rings. We focus on the interplay of localization at the polygon corners and Coulomb repulsion. Remarkably, the Coulomb repulsion allows the formation of in-gap states, i.e., corner-localized states of electron pairs or clusters shifted to energies that were forbidden for non-interacting electrons, but below the energies of corner-side-localized states. We specify conditions allowing optical excitation to those states.

Extraction of topographic and material contrasts on surfaces from SEM images obtained by energy filtering detection with low-energy primary electrons

International Nuclear Information System (INIS)

Nagoshi, Masayasu; Aoyama, Tomohiro; Sato, Kaoru

2013-01-01

Secondary electron microscope (SEM) images have been obtained for practical materials using low primary electron energies and an in-lens type annular detector with changing negative bias voltage supplied to a grid placed in front of the detector. The kinetic-energy distribution of the detected electrons was evaluated by the gradient of the bias-energy dependence of the brightness of the images. This is divided into mainly two parts at about 500 V, high and low brightness in the low- and high-energy regions, respectively and shows difference among the surface regions having different composition and topography. The combination of the negative grid bias and the pixel-by-pixel image subtraction provides the band-pass filtered images and extracts the material and topographic information of the specimen surfaces. -- Highlights: ► Scanning electron (SE) images contain many kind of information on material surfaces. ► We investigate energy-filtered SE images for practical materials. ► The brightness of the images is divided into two parts by the bias voltage. ► Topographic and material contrasts are extracted by subtracting the filtered images.

Preparation and Characterization of Nanofibrillated Cellulose from Bamboo Fiber via Ultrasonication Assisted by Repulsive Effect

Directory of Open Access Journals (Sweden)

Zhijun Hu

2017-01-01

Full Text Available Nanofibrillated celluloses (NFCs have recently drawn much attention because of their exceptional physicochemical properties. However, the existing preparation procedures either produce low yields or severely degrade the cellulose and, moreover, are not energy efficient. The purpose of this study was to develop a novel process using ultrasonic homogenization to isolate fibrils from bamboo fiber (BF with the assistance of negatively charged entities. The obtained samples were characterized by the degree of substitution (DS of carboxymethyl, Fourier-transform infrared (FT-IR spectroscopy, X-ray diffraction (XRD, thermogravimetric analysis, and transmission electron microscopy (TEM. The results showed that an NFC yield could be obtained above 70% through this route. The enzyme hydrolysis could enhance the surface charge of the fiber, and mechanical activation facilitates an increase in the DS. The disintegrating efficiency of the cellulose fibrils significantly depended on the input power of ultrasonication and the DS. FT-IR spectra confirmed the occurrence of the carboxymethylation reaction based on the appearance of the characteristic signal for the carboxyl group. From XRD analysis, it was observed that the presence of the carboxyl groups makes the isolation more efficient attributed to the ionic repulsion between the carboxylate groups of the cellulose chains.

The Electron-Phonon Interaction in Strongly Correlated Systems

International Nuclear Information System (INIS)

Castellani, C.; Grilli, M.

1995-01-01

We analyze the effect of strong electron-electron repulsion on the electron-phonon interaction from a Fermi-liquid point of view and show that the electron-electron interaction is responsible for vertex corrections, which generically lead to a strong suppression of the electron-phonon coupling in the v F q/ω >>1 region, while such effect is not present when v F q/ω F is the Fermi velocity and q and ω are the transferred momentum and frequency respectively. In particular the e-ph scattering is suppressed in transport properties which are dominated by low-energy-high-momentum processes. On the other hand, analyzing the stability criterion for the compressibility, which involves the effective interactions in the dynamical limit, we show that a sizable electron-phonon interaction can push the system towards a phase-separation instability. Finally a detailed analysis of these ideas is carried out using a slave-boson approach for the infinite-U three-band Hubbard model in the presence of a coupling between the local hole density and a dispersionless optical phonon. (author)

Electron energy loss spectroscopy of excitons in two-dimensional-semiconductors as a function of temperature

KAUST Repository

Tizei, Luiz H. G.; Lin, Yung-Chang; Lu, Ang-Yd; Li, Lain-Jong; Suenaga, Kazu

2016-01-01

We have explored the benefits of performing monochromated Electron Energy Loss Spectroscopy(EELS) in samples at cryogenic temperatures. As an example, we have observed the excitonic absorption peaks in single layer Transition Metal Dichalcogenides. These peaks appear separated by small energies due to spin orbit coupling. We have been able to distinguish the split for MoS2 below 300 K and for MoSe2 below 220 K. However, the distinction between peaks is only clear at 150 K. We have measured the change in absorption threshold between 150 K and 770 K for MoS2 and MoSe2. We discuss the effect of carbon and ice contamination in EELSspectra. The increased spectral resolution available made possible with modern monochromators in electron microscopes will require the development of stable sample holders which reaches temperatures far below that of liquid nitrogen.

Electron energy loss spectroscopy of excitons in two-dimensional-semiconductors as a function of temperature

KAUST Repository

Tizei, Luiz H. G.

2016-04-21

We have explored the benefits of performing monochromated Electron Energy Loss Spectroscopy(EELS) in samples at cryogenic temperatures. As an example, we have observed the excitonic absorption peaks in single layer Transition Metal Dichalcogenides. These peaks appear separated by small energies due to spin orbit coupling. We have been able to distinguish the split for MoS2 below 300 K and for MoSe2 below 220 K. However, the distinction between peaks is only clear at 150 K. We have measured the change in absorption threshold between 150 K and 770 K for MoS2 and MoSe2. We discuss the effect of carbon and ice contamination in EELSspectra. The increased spectral resolution available made possible with modern monochromators in electron microscopes will require the development of stable sample holders which reaches temperatures far below that of liquid nitrogen.

Born-Oppenheimer Dynamics, Electronic Friction, and the Inclusion of Electron-Electron Interactions

Science.gov (United States)

Dou, Wenjie; Miao, Gaohan; Subotnik, Joseph E.

2017-07-01

We present a universal expression for the electronic friction as felt by a set of classical nuclear degrees of freedom (DOFs) coupled to a manifold of quantum electronic DOFs; no assumptions are made regarding the nature of the electronic Hamiltonian and electron-electron repulsions are allowed. Our derivation is based on a quantum-classical Liouville equation for the coupled electronic-nuclear motion, followed by an adiabatic approximation whereby electronic transitions are assumed to equilibrate faster than nuclear movement. The resulting form of friction is completely general, but does reduce to previously published expressions for the quadratic Hamiltonian (i.e., Hamiltonians without electronic correlation). At equilibrium, the second fluctuation-dissipation theorem is satisfied and the frictional matrix is symmetric. To demonstrate the importance of electron-electron correlation, we study electronic friction within the Anderson-Holstein model, where a proper treatment of electron-electron interactions shows signatures of a Kondo resonance and a mean-field treatment is completely inadequate.

Electronic energy distribution function at high electron swarm energies in neon

International Nuclear Information System (INIS)

Brown, K.L.; Fletcher, J.

1995-01-01

Electron swarms moving through a gas under the influence of an applied electric field have been extensively investigated. Swarms at high energies, as measured by the ratio of the applied field to the gas number density, E/N, which are predominant in many applications have, in general, been neglected. Discharges at E/N in the range 300 0 < 133 Pa using a differentially pumped vacuum system in which the swarm electrons are extracted from the discharge and energy analysed in both a parallel plate retarded potential analyser and a cylindrical electrostatic analyser. Both pre-breakdown and post-breakdown discharges have been studied. Initial results indicate that as the discharge traverses breakdown no sudden change in the nature of the discharge occurs and that the discharge can be described by both a Monte Carlo simulation and by a Boltzmann treatment given by Phelps et al. (1987). 18 refs., 8 figs

Models for the transport of low energy electrons in water and the yield of hydrated electrons at early times

International Nuclear Information System (INIS)

Brenner, D.J.; Miller, J.H.; Ritchie, R.H.; Bichsel, H.

1985-01-01

An insulator model with four experimental energy bands was used to fit the optical properties of liquid water and to extend these data to non-zero momentum transfer. Inelastic mean free paths derived from this dielectric response function provided the basic information necessary to degrade high energy electrons to the subexcitation energy domain. Two approaches for the transport of subexcitation electrons were investigated. (i) Gas phase cross sections were used to degrade subexcitation electrons to thermal energy and the thermalization lengths were scaled to unit density. (ii) Thermalization lengths were estimated by age-diffusion theory with a stopping power deduced from the data on liquid water and transport cross sections derived from elastic scattering in water vapor. Theoretical ranges were compared to recent experimental results. A stochastic model was used to calculate the rapid diffusion and reaction of hydrated electrons with other radiolysis products. The sensitivity of the calculated yields to the model assumptions and comparison with experimental data are discussed

Low energy electron attachment to cyanamide (NH{sub 2}CN)

Energy Technology Data Exchange (ETDEWEB)

Tanzer, Katrin; Denifl, Stephan, E-mail: Andrzej.Pelc@poczta.umcs.lublin.pl, E-mail: Stephan.Denifl@uibk.ac.at [Institut für Ionenphysik und Angewandte Physik, Leopold Franzens Universität Innsbruck, Technikerstr. 25, 6020 Innsbruck (Austria); Pelc, Andrzej, E-mail: Andrzej.Pelc@poczta.umcs.lublin.pl, E-mail: Stephan.Denifl@uibk.ac.at [Mass Spectrometry Department, Institute of Physics, Marie Curie-Sklodowska University, Pl. M. C.-Sklodowskiej 1, 20-031 Lublin (Poland); Huber, Stefan E. [Institut für Ionenphysik und Angewandte Physik, Leopold Franzens Universität Innsbruck, Technikerstr. 25, 6020 Innsbruck (Austria); Lehrstuhl für Theoretische Chemie, Technische Universität München, Lichtenbergstr. 4, 85747 Garching (Germany); Czupyt, Z. [Ion Microprobe Facility Micro-area Analysis Laboratory, Polish Geological Institute–National Research Institute, Rakowiecka 4, 00-975 Warszawa (Poland)

2015-01-21

Cyanamide (NH{sub 2}CN) is a molecule relevant for interstellar chemistry and the chemical evolution of life. In the present investigation, dissociative electron attachment to NH{sub 2}CN has been studied in a crossed electron–molecular beams experiment in the electron energy range from about 0 eV to 14 eV. The following anionic species were detected: NHCN{sup −}, NCN{sup −}, CN{sup −}, NH{sub 2}{sup −}, NH{sup −}, and CH{sub 2}{sup −}. The anion formation proceeds within two broad electron energy regions, one between about 0.5 and 4.5 eV and a second between 4.5 and 12 eV. A discussion of possible reaction channels for all measured negative ions is provided. The experimental results are compared with calculations of the thermochemical thresholds of the anions observed. For the dehydrogenated parent anion, we explain the deviation between the experimental appearance energy of the anion with the calculated corresponding reaction threshold by electron attachment to the isomeric form of NH{sub 2}CN—carbodiimide.

Depth sectioning using electron energy loss spectroscopy

International Nuclear Information System (INIS)

D'Alfonso, A J; Findlay, S D; Allen, L J; Cosgriff, E C; Kirkland, A I; Nellist, P D; Oxley, M P

2008-01-01

The continued development of electron probe aberration correctors for scanning transmission electron microscopy has enabled finer electron probes, allowing atomic resolution column-by-column electron energy loss spectroscopy. Finer electron probes have also led to a decrease in the probe depth of focus, facilitating optical slicing or depth sectioning of samples. The inclusion of post specimen aberration corrected image forming lenses allows for scanning confocal electron microscopy with further improved depth resolution and selectivity. We show that in both scanning transmission electron microscopy and scanning confocal electron microscopy geometries, by performing a three dimensional raster scan through a specimen and detecting electrons scattered with a characteristic energy loss, it will be possible to determine the location of isolated impurities embedded within the bulk.

Ultralow energy calibration of LUX detector using Xe 127 electron capture

Science.gov (United States)

Akerib, D. S.; Alsum, S.; Araújo, H. M.; Bai, X.; Bailey, A. J.; Balajthy, J.; Beltrame, P.; Bernard, E. P.; Bernstein, A.; Biesiadzinski, T. P.; Boulton, E. M.; Brás, P.; Byram, D.; Cahn, S. B.; Carmona-Benitez, M. C.; Chan, C.; Currie, A.; Cutter, J. E.; Davison, T. J. R.; Dobi, A.; Druszkiewicz, E.; Edwards, B. N.; Fallon, S. R.; Fan, A.; Fiorucci, S.; Gaitskell, R. J.; Genovesi, J.; Ghag, C.; Gilchriese, M. G. D.; Hall, C. R.; Hanhardt, M.; Haselschwardt, S. J.; Hertel, S. A.; Hogan, D. P.; Horn, M.; Huang, D. Q.; Ignarra, C. M.; Jacobsen, R. G.; Ji, W.; Kamdin, K.; Kazkaz, K.; Khaitan, D.; Knoche, R.; Larsen, N. A.; Lenardo, B. G.; Lesko, K. T.; Lindote, A.; Lopes, M. I.; Manalaysay, A.; Mannino, R. L.; Marzioni, M. F.; McKinsey, D. N.; Mei, D.-M.; Mock, J.; Moongweluwan, M.; Morad, J. A.; Murphy, A. St. J.; Nehrkorn, C.; Nelson, H. N.; Neves, F.; O'Sullivan, K.; Oliver-Mallory, K. C.; Palladino, K. J.; Pease, E. K.; Rhyne, C.; Shaw, S.; Shutt, T. A.; Silva, C.; Solmaz, M.; Solovov, V. N.; Sorensen, P.; Sumner, T. J.; Szydagis, M.; Taylor, D. J.; Taylor, W. C.; Tennyson, B. P.; Terman, P. A.; Tiedt, D. R.; To, W. H.; Tripathi, M.; Tvrznikova, L.; Uvarov, S.; Velan, V.; Verbus, J. R.; Webb, R. C.; White, J. T.; Whitis, T. J.; Witherell, M. S.; Wolfs, F. L. H.; Xu, J.; Yazdani, K.; Young, S. K.; Zhang, C.

2017-12-01

We report an absolute calibration of the ionization yields (Qy ) and fluctuations for electronic recoil events in liquid xenon at discrete energies between 186 eV and 33.2 keV. The average electric field applied across the liquid xenon target is 180 V /cm . The data are obtained using low energy Xe 127 electron capture decay events from the 95.0-day first run from LUX (WS2013) in search of weakly interacting massive particles. The sequence of gamma-ray and x-ray cascades associated with I 127 deexcitations produces clearly identified two-vertex events in the LUX detector. We observe the K-(binding energy, 33.2 keV), L-(5.2 keV), M-(1.1 keV), and N-(186 eV) shell cascade events and verify that the relative ratio of observed events for each shell agrees with calculations. The N-shell cascade analysis includes single extracted electron (SE) events and represents the lowest-energy electronic recoil in situ measurements that have been explored in liquid xenon.

Internal Energy Loss of the Electrons Ejected in Neutrinoless Double Beta Decay

International Nuclear Information System (INIS)

Drukarev, E. G.; Amusia, M. Ya.; Chernysheva, L. V.

2017-01-01

The excitations of the electron shell in neutrinoless double beta decay shifts the limiting energy available for ejected electrons. We present the general equations for this shift and make computations for the decays of two nuclei—germanium and xenon. (author)

Partial synchronization of relaxation oscillators with repulsive coupling in autocatalytic integrate-and-fire model and electrochemical experiments

Science.gov (United States)

Kori, Hiroshi; Kiss, István Z.; Jain, Swati; Hudson, John L.

2018-04-01

Experiments and supporting theoretical analysis are presented to describe the synchronization patterns that can be observed with a population of globally coupled electrochemical oscillators close to a homoclinic, saddle-loop bifurcation, where the coupling is repulsive in the electrode potential. While attractive coupling generates phase clusters and desynchronized states, repulsive coupling results in synchronized oscillations. The experiments are interpreted with a phenomenological model that captures the waveform of the oscillations (exponential increase) followed by a refractory period. The globally coupled autocatalytic integrate-and-fire model predicts the development of partially synchronized states that occur through attracting heteroclinic cycles between out-of-phase two-cluster states. Similar behavior can be expected in many other systems where the oscillations occur close to a saddle-loop bifurcation, e.g., with Morris-Lecar neurons.

Reflection-time-of-flight spectrometer for two-electron (e,2e) coincidence spectroscopy on surfaces

International Nuclear Information System (INIS)

Kirschner, J.; Kerherve, G.; Winkler, C.

2008-01-01

In this article, a novel time-of-flight spectrometer for two-electron-emission (e,2e/γ,2e) correlation spectroscopy from surfaces at low electron energies is presented. The spectrometer consists of electron optics that collect emitted electrons over a solid angle of approximately 1 sr and focus them onto a multichannel plate using a reflection technique. The flight time of an electron with kinetic energy of E kin ≅25 eV is around 100 ns. The corresponding time- and energy resolution are typically ≅1 ns and ≅0.65 eV, respectively. The first (e,2e) data obtained with the present setup from a LiF film are presented

Attainment of Electron Beam Suitable for Medium Energy Electron Cooling

Energy Technology Data Exchange (ETDEWEB)

Seletskiy, Sergei M. [Univ. of Rochester, NY (United States)

2005-01-01

Electron cooling of charged particle beams is a well-established technique at electron energies of up to 300 keV. However, up to the present time the advance of electron cooling to the MeV-range energies has remained a purely theoretical possibility. The electron cooling project at Fermilab has recently demonstrated the ¯rst cooling of 8.9 GeV/c antiprotons in the Recycler ring, and therefore, has proved the validity of the idea of relativistic electron cool- ing. The Recycler Electron Cooler (REC) is the key component of the Teva- tron Run II luminosity upgrade project. Its performance depends critically on the quality of electron beam. A stable electron beam of 4.3 MeV car- rying 0.5 A of DC current is required. The beam suitable for the Recycler Electron Cooler must have an angular spread not exceeding 200 ¹rad. The full-scale prototype of the REC was designed, built and tested at Fermilab in the Wideband laboratory to study the feasibility of attaining the high-quality electron beam. In this thesis I describe various aspects of development of the Fermilab electron cooling system, and the techniques used to obtain the electron beam suitable for the cooling process. In particular I emphasize those aspects of the work for which I was principally responsible.

High-energy high-luminosity electron-ion collider eRHIC

International Nuclear Information System (INIS)

Litvinenko, V.N.; Ben-Zvi, I.; Hammons, L.; Hao, Y.; Webb, S.

2011-01-01

In this paper, we describe a future electron-ion collider (EIC), based on the existing Relativistic Heavy Ion Collider (RHIC) hadron facility, with two intersecting superconducting rings, each 3.8 km in circumference. The replacement cost of the RHIC facility is about two billion US dollars, and the eRHIC will fully take advantage and utilize this investment. We plan adding a polarized 5-30 GeV electron beam to collide with variety of species in the existing RHIC accelerator complex, from polarized protons with a top energy of 325 GeV, to heavy fully-striped ions with energies up to 130 GeV/u. Brookhaven's innovative design, is based on one of the RHIC's hadron rings and a multi-pass energy-recovery linac (ERL). Using the ERL as the electron accelerator assures high luminosity in the 10 33 -10 34 cm -2 sec -1 range, and for the natural staging of eRHIC, with the ERL located inside the RHIC tunnel. The eRHIC will provide electron-hadron collisions in up to three interaction regions. We detail the eRHIC's performance in Section 2. Since first paper on eRHIC paper in 2000, its design underwent several iterations. Initially, the main eRHIC option (the so-called ring-ring, RR, design) was based on an electron ring, with the linac-ring (LR) option as a backup. In 2004, we published the detailed 'eRHIC 0th Order Design Report' including a cost-estimate for the RR design. After detailed studies, we found that an LR eRHIC has about a 10-fold higher luminosity than the RR. Since 2007, the LR, with its natural staging strategy and full transparency for polarized electrons, became the main choice for eRHIC. In 2009, we completed technical studies of the design and dynamics for MeRHIC with 3-pass 4 GeV ERL. We learned much from this evaluation, completed a bottom-up cost estimate for this $350M machine, but then shelved the design. In the same year, we turned again to considering the cost-effective, all-in-tunnel six-pass ERL for our design of the high-luminosity eRHIC. In it

Methods for measurement of electron emission yield under low energy electron-irradiation by collector method and Kelvin probe method

Energy Technology Data Exchange (ETDEWEB)

Tondu, Thomas; Belhaj, Mohamed; Inguimbert, Virginie [Onera, DESP, 2 Avenue Edouard Belin, 31400 Toulouse (France); Onera, DESP, 2 Avenue Edouard Belin, 31400 Toulouse, France and Fondation STAE, 4 allee Emile Monso, BP 84234-31432, Toulouse Cedex 4 (France); Onera, DESP, 2 Avenue Edouard Belin, 31400 Toulouse (France)

2010-09-15

Secondary electron emission yield of gold under electron impact at normal incidence below 50 eV was investigated by the classical collector method and by the Kelvin probe method. The authors show that biasing a collector to ensure secondary electron collection while keeping the target grounded can lead to primary electron beam perturbations. Thus reliable secondary electron emission yield at low primary electron energy cannot be obtained with a biased collector. The authors present two collector-free methods based on current measurement and on electron pulse surface potential buildup (Kelvin probe method). These methods are consistent, but at very low energy, measurements become sensitive to the earth magnetic field (below 10 eV). For gold, the authors can extrapolate total emission yield at 0 eV to 0.5, while a total electron emission yield of 1 is obtained at 40{+-}1 eV.

Methods for measurement of electron emission yield under low energy electron-irradiation by collector method and Kelvin probe method

International Nuclear Information System (INIS)

Tondu, Thomas; Belhaj, Mohamed; Inguimbert, Virginie

2010-01-01

Secondary electron emission yield of gold under electron impact at normal incidence below 50 eV was investigated by the classical collector method and by the Kelvin probe method. The authors show that biasing a collector to ensure secondary electron collection while keeping the target grounded can lead to primary electron beam perturbations. Thus reliable secondary electron emission yield at low primary electron energy cannot be obtained with a biased collector. The authors present two collector-free methods based on current measurement and on electron pulse surface potential buildup (Kelvin probe method). These methods are consistent, but at very low energy, measurements become sensitive to the earth magnetic field (below 10 eV). For gold, the authors can extrapolate total emission yield at 0 eV to 0.5, while a total electron emission yield of 1 is obtained at 40±1 eV.