WorldWideScience

Sample records for non-relativistic local density

  1. Local supersymmetry in non-relativistic systems

    International Nuclear Information System (INIS)

    Urrutia, L.F.; Zanelli, J.

    1989-10-01

    Classical and quantum non-relativistic interacting systems invariant under local supersymmetry are constructed by the method of taking square roots of the bosonic constraints which generate timelike reparametrization, leaving the action unchanged. In particular, the square root of the Schroedinger constraint is shown to be the non-relativistic limit of the Dirac constraint. Contact is made with the standard models of Supersymmetric Quantum Mechanics through the reformulation of the locally invariant systems in terms of their true degrees of freedom. Contrary to the field theory case, it is shown that the locally invariant systems are completely equivalent to the corresponding globally invariant ones, the latter being the Heisenberg picture description of the former, with respect to some fermionic time. (author). 14 refs

  2. Blue functions: probability and current density propagators in non-relativistic quantum mechanics

    International Nuclear Information System (INIS)

    Withers, L P Jr

    2011-01-01

    Like a Green function to propagate a particle's wavefunction in time, a Blue function is introduced to propagate the particle's probability and current density. Accordingly, the complete Blue function has four components. They are constructed from path integrals involving a quantity like the action that we call the motion. The Blue function acts on the displaced probability density as the kernel of an integral operator. As a result, we find that the Wigner density occurs as an expression for physical propagation. We also show that, in quantum mechanics, the displaced current density is conserved bilocally (in two places at one time), as expressed by a generalized continuity equation. (paper)

  3. Non-relativistic supersymmetry

    International Nuclear Information System (INIS)

    Clark, T.E.; Love, S.T.

    1984-01-01

    The most general one- and two-body hamiltonian invariant under galilean supersymmetry is constructed in superspace. The corresponding Feynman rules are given for the superfield Green functions. As demonstrated by a simple example, it is straightforward to construct models in which the supersymmetry is spontaneously broken by the non-relativistic vacuum. (orig.)

  4. Support for the existence of invertible maps between electronic densities and non-analytic 1-body external potentials in non-relativistic time-dependent quantum mechanics

    Science.gov (United States)

    Mosquera, Martín A.

    2017-10-01

    Provided the initial state, the Runge-Gross theorem establishes that the time-dependent (TD) external potential of a system of non-relativistic electrons determines uniquely their TD electronic density, and vice versa (up to a constant in the potential). This theorem requires the TD external potential and density to be Taylor-expandable around the initial time of the propagation. This paper presents an extension without this restriction. Given the initial state of the system and evolution of the density due to some TD scalar potential, we show that a perturbative (not necessarily weak) TD potential that induces a non-zero divergence of the external force-density, inside a small spatial subset and immediately after the initial propagation time, will cause a change in the density within that subset, implying that the TD potential uniquely determines the TD density. In this proof, we assume unitary evolution of wavefunctions and first-order differentiability (which does not imply analyticity) in time of the internal and external force-densities, electronic density, current density, and their spatial derivatives over the small spatial subset and short time interval.

  5. Locality of correlation in density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Burke, Kieron [Department of Chemistry, University of California, Irvine, California 92697 (United States); Cancio, Antonio [Department of Physics and Astronomy, Ball State University, Muncie, Indiana 47306 (United States); Gould, Tim [Qld Micro- and Nanotechnology Centre, Griffith University, Nathan, Qld 4111 (Australia); Pittalis, Stefano [CNR-Istituto di Nanoscienze, Via Campi 213A, I-41125 Modena (Italy)

    2016-08-07

    The Hohenberg-Kohn density functional was long ago shown to reduce to the Thomas-Fermi (TF) approximation in the non-relativistic semiclassical (or large-Z) limit for all matter, i.e., the kinetic energy becomes local. Exchange also becomes local in this limit. Numerical data on the correlation energy of atoms support the conjecture that this is also true for correlation, but much less relevant to atoms. We illustrate how expansions around a large particle number are equivalent to local density approximations and their strong relevance to density functional approximations. Analyzing highly accurate atomic correlation energies, we show that E{sub C} → −A{sub C} ZlnZ + B{sub C}Z as Z → ∞, where Z is the atomic number, A{sub C} is known, and we estimate B{sub C} to be about 37 mhartree. The local density approximation yields A{sub C} exactly, but a very incorrect value for B{sub C}, showing that the local approximation is less relevant for the correlation alone. This limit is a benchmark for the non-empirical construction of density functional approximations. We conjecture that, beyond atoms, the leading correction to the local density approximation in the large-Z limit generally takes this form, but with B{sub C} a functional of the TF density for the system. The implications for the construction of approximate density functionals are discussed.

  6. Partial differential equation for the idempotent Dirac density matrix characterized solely by the exact non-relativistic ground-state electron density for spherical atomic ions

    International Nuclear Information System (INIS)

    March, N.H.

    2009-08-01

    In this Journal, March and Suhai have earlier set up a first-order Dirac idempotent density matrix theory for one- and two-level occupancy in which the only input required is the nonrelativistic ground-state electron density. Here, an analytic generalization is provided for the case of spherical electron densities for arbitrary level occupancy. Be-like atomic ions are referred to as an example, but 'almost spherical' molecules like SiH 4 and GeH 4 also become accessible. (author)

  7. Polarizational bremsstrahlung in non-relativistic collisions

    International Nuclear Information System (INIS)

    Korol, A.V.; Solov'yov, A.V.

    2006-01-01

    We review the developments made during the last decade in the theory of polarization bremsstrahlung in the non-relativistic domain. A literature survey covering the latest history of the phenomenon is given. The main features which distinguish the polarization bremsstrahlung from other mechanisms of radiation are discussed and illustrated by the results of numerical calculations

  8. Optimized non relativistic potential for quarkonium

    International Nuclear Information System (INIS)

    Rekab, S.; Zenine, N.

    2006-01-01

    For non relativistic quarkonia description, we consider a wide class of quark antiquark potentials in the form of power law. A systematic study is made by optimizing the potential parameters with a fit on quarkonia vector mesons that lie below the threshold for strong decays. Implications of the obtained results are discussed

  9. On non-relativistic electron theory

    Energy Technology Data Exchange (ETDEWEB)

    Woolley, R G

    1975-01-01

    A discussion of non-relativistic electron theory, which makes use of the electromagnetic field potentials only as useful working variables in the intermediate stages, is presented. The separation of the (transverse) radiation field from the longitudinal electric field due to the sources is automatic, and as a result, this formalism is often more convenient than the usual Coulomb gauge theory used in molecular physics.

  10. Supersymmetric solutions for non-relativistic holography

    International Nuclear Information System (INIS)

    Donos, Aristomenis; Gauntlett, Jerome P.

    2009-01-01

    We construct families of supersymmetric solutions of type IIB and D=11 supergravity that are invariant under the non-relativistic conformal algebra for various values of dynamical exponent z≥4 and z≥3, respectively. The solutions are based on five- and seven-dimensional Sasaki-Einstein manifolds and generalise the known solutions with dynamical exponent z=4 for the type IIB case and z=3 for the D=11 case, respectively. (orig.)

  11. Canonical analysis of non-relativistic particle and superparticle

    Energy Technology Data Exchange (ETDEWEB)

    Kluson, Josef [Masaryk University, Department of Theoretical Physics and Astrophysics, Faculty of Science, Brno (Czech Republic)

    2018-02-15

    We perform canonical analysis of non-relativistic particle in Newton-Cartan Background. Then we extend this analysis to the case of non-relativistic superparticle in the same background. We determine constraints structure of this theory and find generator of κ-symmetry. (orig.)

  12. Extended Galilean symmetries of non-relativistic strings

    Energy Technology Data Exchange (ETDEWEB)

    Batlle, Carles [Departament de Matemàtiques and IOC, Universitat Politècnica de Catalunya, EPSEVG,Av. V. Balaguer 1, E-08808 Vilanova i la Geltrú (Spain); Gomis, Joaquim; Not, Daniel [Departament de Física Quàntica i Astrofísica and Institut de Ciències del Cosmos (ICCUB),Universitat de Barcelona,Martí i Franquès 1, E-08028 Barcelona (Spain)

    2017-02-09

    We consider two non-relativistic strings and their Galilean symmetries. These strings are obtained as the two possible non-relativistic (NR) limits of a relativistic string. One of them is non-vibrating and represents a continuum of non-relativistic massless particles, and the other one is a non-relativistic vibrating string. For both cases we write the generator of the most general point transformation and impose the condition of Noether symmetry. As a result we obtain two sets of non-relativistic Killing equations for the vector fields that generate the symmetry transformations. Solving these equations shows that NR strings exhibit two extended, infinite dimensional space-time symmetries which contain, as a subset, the Galilean symmetries. For each case, we compute the associated conserved charges and discuss the existence of non-central extensions.

  13. Radiative transitions in mesons within a non relativistic quark model

    International Nuclear Information System (INIS)

    Bonnaz, R.; Silvestre-Brac, B.; Gignoux, C.

    2002-01-01

    An exhaustive study of radiative transitions in mesons is performed in a non relativistic quark model. Three different types of mesons wave functions are tested. The effect of some usual approximations is commented. Overall agreement with experimental data is obtained

  14. Models of non-relativistic quantum gravity: the good, the bad and the healthy

    CERN Document Server

    Blas, Diego; Sibiryakov, Sergey

    2011-01-01

    Horava's proposal for non-relativistic quantum gravity introduces a preferred time foliation of space-time which violates the local Lorentz invariance. The foliation is encoded in a dynamical scalar field which we call `khronon'. The dynamics of the khronon field is sensitive to the symmetries and other details of the particular implementations of the proposal. In this paper we examine several consistency issues present in three non-relativistic gravity theories: Horava's projectable theory, the healthy non-projectable extension, and a new extension related to ghost condensation. We find that the only model which is free from instabilities and strong coupling is the non-projectable one. We elaborate on the phenomenology of the latter model including a discussion of the couplings of the khronon to matter. In particular, we obtain the parameters of the post-Newtonian expansion in this model and show that they are compatible with current observations.

  15. Non-relativistic conformal symmetries and Newton-Cartan structures

    International Nuclear Information System (INIS)

    Duval, C; Horvathy, P A

    2009-01-01

    This paper provides us with a unifying classification of the conformal infinitesimal symmetries of non-relativistic Newton-Cartan spacetime. The Lie algebras of non-relativistic conformal transformations are introduced via the Galilei structure. They form a family of infinite-dimensional Lie algebras labeled by a rational 'dynamical exponent', z. The Schroedinger-Virasoro algebra of Henkel et al corresponds to z = 2. Viewed as projective Newton-Cartan symmetries, they yield, for timelike geodesics, the usual Schroedinger Lie algebra, for which z = 2. For lightlike geodesics, they yield, in turn, the Conformal Galilean Algebra (CGA) of Lukierski, Stichel and Zakrzewski (alias 'alt' of Henkel), with z = 1. Physical systems realizing these symmetries include, e.g. classical systems of massive and massless non-relativistic particles, and also hydrodynamics, as well as Galilean electromagnetism.

  16. Physical stress, mass, and energy for non-relativistic matter

    Science.gov (United States)

    Geracie, Michael; Prabhu, Kartik; Roberts, Matthew M.

    2017-06-01

    For theories of relativistic matter fields there exist two possible definitions of the stress-energy tensor, one defined by a variation of the action with the coframes at fixed connection, and the other at fixed torsion. These two stress-energy tensors do not necessarily coincide and it is the latter that corresponds to the Cauchy stress measured in the lab. In this note we discuss the corresponding issue for non-relativistic matter theories. We point out that while the physical non-relativistic stress, momentum, and mass currents are defined by a variation of the action at fixed torsion, the energy current does not admit such a description and is naturally defined at fixed connection. Any attempt to define an energy current at fixed torsion results in an ambiguity which cannot be resolved from the background spacetime data or conservation laws. We also provide computations of these quantities for some simple non-relativistic actions.

  17. Relativistic and non-relativistic studies of nuclear matter

    NARCIS (Netherlands)

    Banerjee, MK; Tjon, JA

    2002-01-01

    We point out that the differences between the results of the non-relativistic lowest order Brueckner theory (LOBT) and the relativistic Dirac-Brueckner analysis predominantly arise from two sources. Besides effects from a nucleon mass modification M* in nuclear medium we have in a relativistic

  18. Non-relativistic supergravity in three space-time dimensions

    NARCIS (Netherlands)

    Zojer, Thomas

    2016-01-01

    This year Einstein's theory of general relativity celebrates its one hundredth birthday. It supersedes the non-relativistic Newtonian theory of gravity in two aspects: i) there is a limiting velocity, nothing can move quicker than the speed of light and ii) the theory is valid in arbitrary

  19. Deep processes in non-relativistic confining potentials

    International Nuclear Information System (INIS)

    Fishbane, P.M.; Grisaru, M.T.

    1978-01-01

    The authors study deep inelastic and hard scattering processes for non-relativistic particles confined in deep potentials. The mechanisms by which the effects of confinement disappear and the particles scatter as if free are useful in understanding the analogous results for a relativistic field theory. (Auth.)

  20. Intense non-relativistic cesium ion beam

    International Nuclear Information System (INIS)

    Lampel, M.C.

    1984-02-01

    The Heavy Ion Fusion group at Lawrence Berkeley Laboratory has constructed the One Ampere Cesium Injector as a proof of principle source to supply an induction linac with a high charge density and high brightness ion beam. This is studied here. An electron beam probe was developed as the major diagnostic tool for characterizing ion beam space charge. Electron beam probe data inversion is accomplished with the EBEAM code and a parametrically adjusted model radial charge distribution. The longitudinal charge distribution was not derived, although it is possible to do so. The radial charge distribution that is derived reveals an unexpected halo of trapped electrons surrounding the ion beam. A charge fluid theory of the effect of finite electron temperature on the focusing of neutralized ion beams (Nucl. Fus. 21, 529 (1981)) is applied to the problem of the Cesium beam final focus at the end of the injector. It is shown that the theory's predictions and assumptions are consistent with the experimental data, and that it accounts for the observed ion beam radius of approx. 5 cm, and the electron halo, including the determination of an electron Debye length of approx. 10 cm

  1. Spin rotation function in a microscopic non-relativistic optical model

    International Nuclear Information System (INIS)

    Bauhoff, W.

    1984-01-01

    A microscopic optical potential, which is calculated non-relativistically with a density-dependent effective force, is used to calculate cross-section, polarization and spin-rotation function for elastic proton scattering from 40 Ca at 160 MeV and 497 MeV. At 160 MeV, the agreement to the data is comparable to phenomenological fits, and the spin-rotation can be used to distinguish between microscopic and Woods-Saxon potentials. A good fit to the spin-rotation function results at 497 MeV, whereas the polarization data are not well reproduced

  2. Non-Relativistic Twistor Theory and Newton-Cartan Geometry

    Science.gov (United States)

    Dunajski, Maciej; Gundry, James

    2016-03-01

    We develop a non-relativistic twistor theory, in which Newton-Cartan structures of Newtonian gravity correspond to complex three-manifolds with a four-parameter family of rational curves with normal bundle O oplus O(2)}. We show that the Newton-Cartan space-times are unstable under the general Kodaira deformation of the twistor complex structure. The Newton-Cartan connections can nevertheless be reconstructed from Merkulov's generalisation of the Kodaira map augmented by a choice of a holomorphic line bundle over the twistor space trivial on twistor lines. The Coriolis force may be incorporated by holomorphic vector bundles, which in general are non-trivial on twistor lines. The resulting geometries agree with non-relativistic limits of anti-self-dual gravitational instantons.

  3. Holographic stress tensor for non-relativistic theories

    International Nuclear Information System (INIS)

    Ross, Simon F.; Saremi, Omid

    2009-01-01

    We discuss the calculation of the field theory stress tensor from the dual geometry for two recent proposals for gravity duals of non-relativistic conformal field theories. The first of these has a Schroedinger symmetry including Galilean boosts, while the second has just an anisotropic scale invariance (the Lifshitz case). For the Lifshitz case, we construct an appropriate action principle. We propose a definition of the non-relativistic stress tensor complex for the field theory as an appropriate variation of the action in both cases. In the Schroedinger case, we show that this gives physically reasonable results for a simple black hole solution and agrees with an earlier proposal to determine the stress tensor from the familiar AdS prescription. In the Lifshitz case, we solve the linearised equations of motion for a general perturbation around the background, showing that our stress tensor is finite on-shell.

  4. Generalized dilatation operator method for non-relativistic holography

    Energy Technology Data Exchange (ETDEWEB)

    Chemissany, Wissam, E-mail: wissam@stanford.edu [Department of Physics and SITP, Stanford University, Stanford, CA 94305 (United States); Papadimitriou, Ioannis, E-mail: ioannis.papadimitriou@csic.es [Instituto de Física Teórica UAM/CSIC, Universidad Autónoma de Madrid, Madrid 28049 (Spain)

    2014-10-07

    We present a general algorithm for constructing the holographic dictionary for Lifshitz and hyperscaling violating Lifshitz backgrounds for any value of the dynamical exponent z and any value of the hyperscaling violation parameter θ compatible with the null energy condition. The objective of the algorithm is the construction of the general asymptotic solution of the radial Hamilton–Jacobi equation subject to the desired boundary conditions, from which the full dictionary can be subsequently derived. Contrary to the relativistic case, we find that a fully covariant construction of the asymptotic solution for running non-relativistic theories necessitates an expansion in the eigenfunctions of two commuting operators instead of one. This provides a covariant but non-relativistic grading of the expansion, according to the number of time derivatives.

  5. A new formulation of non-relativistic diffeomorphism invariance

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, Rabin, E-mail: rabin@bose.res.in [S.N. Bose National Centre for Basic Sciences, JD Block, Sector III, Salt Lake City, Kolkata-700 098 (India); Mitra, Arpita, E-mail: arpita12t@bose.res.in [S.N. Bose National Centre for Basic Sciences, JD Block, Sector III, Salt Lake City, Kolkata-700 098 (India); Mukherjee, Pradip, E-mail: mukhpradip@gmail.com [Department of Physics, Barasat Government College, Barasat, West Bengal (India)

    2014-10-07

    We provide a new formulation of non-relativistic diffeomorphism invariance. It is generated by localising the usual global Galilean symmetry. The correspondence with the type of diffeomorphism invariant models currently in vogue in the theory of fractional quantum Hall effect has been discussed. Our construction is shown to open up a general approach of model building in theoretical condensed matter physics. Also, this formulation has the capacity of obtaining Newton–Cartan geometry from the gauge procedure.

  6. On some solvable models in non-relativistic quantum mechanics

    International Nuclear Information System (INIS)

    Shabani, J.; Shayo, L.K.

    1985-11-01

    The theory of self-adjoint extensions is employed to generalize some previous results in non-relativistic quantum interactions. In particular, the Hamiltonian H=-Δ+V, where Δ is the Laplacian and the potential V consists of a strongly singular interaction, a Coulomb and a delta-shell interaction is studied. The spectral properties are discussed and phase shifts as well as low energy parameters are obtained. (author)

  7. Non-relativistic model of two-particle decay

    International Nuclear Information System (INIS)

    Dittrich, J.; Exner, P.

    1986-01-01

    A simple non-relativistic model of a spinless particle decaying into two lighter particles is treated in detail. It is similar to the Lee-model description of V-particle decay. Galilean covariance is formulated properly, by means of a unitary projective representation acting on the state space of the model. After separating the centre-of-mass motion the meromorphic structure of the reduced resolvent is deduced

  8. OPE convergence in non-relativistic conformal field theories

    Energy Technology Data Exchange (ETDEWEB)

    Goldberger, Walter D.; Khandker, Zuhair University; Prabhu, Siddharth [Department of Physics, Yale University,New Haven, CT 06511 (United States); Physics Department, Boston University,Boston, MA 02215 (United States)

    2015-12-09

    Motivated by applications to the study of ultracold atomic gases near the unitarity limit, we investigate the structure of the operator product expansion (OPE) in non-relativistic conformal field theories (NRCFTs). The main tool used in our analysis is the representation theory of charged (i.e. non-zero particle number) operators in the NRCFT, in particular the mapping between operators and states in a non-relativistic “radial quantization” Hilbert space. Our results include: a determination of the OPE coefficients of descendant operators in terms of those of the underlying primary state, a demonstration of convergence of the (imaginary time) OPE in certain kinematic limits, and an estimate of the decay rate of the OPE tail inside matrix elements which, as in relativistic CFTs, depends exponentially on operator dimensions. To illustrate our results we consider several examples, including a strongly interacting field theory of bosons tuned to the unitarity limit, as well as a class of holographic models. Given the similarity with known statements about the OPE in SO(2,d) invariant field theories, our results suggest the existence of a bootstrap approach to constraining NRCFTs, with applications to bound state spectra and interactions. We briefly comment on a possible implementation of this non-relativistic conformal bootstrap program.

  9. Density estimation from local structure

    CSIR Research Space (South Africa)

    Van der Walt, Christiaan M

    2009-11-01

    Full Text Available Mixture Model (GMM) density function of the data and the log-likelihood scores are compared to the scores of a GMM trained with the expectation maximization (EM) algorithm on 5 real-world classification datasets (from the UCI collection). They show...

  10. Non-relativistic Bondi-Metzner-Sachs algebra

    Science.gov (United States)

    Batlle, Carles; Delmastro, Diego; Gomis, Joaquim

    2017-09-01

    We construct two possible candidates for non-relativistic bms4 algebra in four space-time dimensions by contracting the original relativistic bms4 algebra. bms4 algebra is infinite-dimensional and it contains the generators of the Poincaré algebra, together with the so-called super-translations. Similarly, the proposed nrbms4 algebras can be regarded as two infinite-dimensional extensions of the Bargmann algebra. We also study a canonical realization of one of these algebras in terms of the Fourier modes of a free Schrödinger field, mimicking the canonical realization of relativistic bms4 algebra using a free Klein-Gordon field.

  11. Scattering of Non-Relativistic Charged Particles by Electromagnetic Radiation

    Science.gov (United States)

    Apostol, M.

    2017-11-01

    The cross-section is computed for non-relativistic charged particles (like electrons and ions) scattered by electromagnetic radiation confined to a finite region (like the focal region of optical laser beams). The cross-section exhibits maxima at scattering angles given by the energy and momentum conservation in multi-photon absorption or emission processes. For convenience, a potential scattering is included and a comparison is made with the well-known Kroll-Watson scattering formula. The scattering process addressed in this paper is distinct from the process dealt with in previous studies, where the scattering is immersed in the radiation field.

  12. Non-relativistic scalar field on the quantum plane

    International Nuclear Information System (INIS)

    Jahan, A.

    2005-01-01

    We apply the coherent state approach to the non-commutative plane to check the one-loop finiteness of the two-point and four-point functions of a non-relativistic scalar field theory in 2+1 dimensions. We show that the two-point and four-point functions of the model are finite at one-loop level and one recovers the divergent behavior of the model in the limit θ->0 + by appropriate redefinition of the non-commutativity parameter

  13. Weyl consistency conditions in non-relativistic quantum field theory

    Energy Technology Data Exchange (ETDEWEB)

    Pal, Sridip; Grinstein, Benjamín [Department of Physics, University of California,San Diego, 9500 Gilman Drive, La Jolla, CA 92093 (United States)

    2016-12-05

    Weyl consistency conditions have been used in unitary relativistic quantum field theory to impose constraints on the renormalization group flow of certain quantities. We classify the Weyl anomalies and their renormalization scheme ambiguities for generic non-relativistic theories in 2+1 dimensions with anisotropic scaling exponent z=2; the extension to other values of z are discussed as well. We give the consistency conditions among these anomalies. As an application we find several candidates for a C-theorem. We comment on possible candidates for a C-theorem in higher dimensions.

  14. Local density approximations for relativistic exchange energies

    International Nuclear Information System (INIS)

    MacDonald, A.H.

    1986-01-01

    The use of local density approximations to approximate exchange interactions in relativistic electron systems is reviewed. Particular attention is paid to the physical content of these exchange energies by discussing results for the uniform relativistic electron gas from a new point of view. Work on applying these local density approximations in atoms and solids is reviewed and it is concluded that good accuracy is usually possible provided self-interaction corrections are applied. The local density approximations necessary for spin-polarized relativistic systems are discussed and some new results are presented

  15. Non-relativistic holography and singular black hole

    International Nuclear Information System (INIS)

    Lin Fengli; Wu Shangyu

    2009-01-01

    We provide a framework for non-relativistic holography so that a covariant action principle ensuring the Galilean symmetry for dual conformal field theory is given. This framework is based on the Bargmann lift of the Newton-Cartan gravity to the one-dimensional higher Einstein gravity, or reversely, the null-like Kaluza-Klein reduction. We reproduce the previous zero temperature results, and our framework provides a natural explanation about why the holography is co-dimension 2. We then construct the black hole solution dual to the thermal CFT, and find the horizon is curvature singular. However, we are able to derive the sensible thermodynamics for the dual non-relativistic CFT with correct thermodynamical relations. Besides, our construction admits a null Killing vector in the bulk such that the Galilean symmetry is preserved under the holographic RG flow. Finally, we evaluate the viscosity and find it zero if we neglect the back reaction of the singular horizon, otherwise, it could be non-zero.

  16. Statistical density modification using local pattern matching

    International Nuclear Information System (INIS)

    Terwilliger, Thomas C.

    2003-01-01

    Statistical density modification can make use of local patterns of density found in protein structures to improve crystallographic phases. A method for improving crystallographic phases is presented that is based on the preferential occurrence of certain local patterns of electron density in macromolecular electron-density maps. The method focuses on the relationship between the value of electron density at a point in the map and the pattern of density surrounding this point. Patterns of density that can be superimposed by rotation about the central point are considered equivalent. Standard templates are created from experimental or model electron-density maps by clustering and averaging local patterns of electron density. The clustering is based on correlation coefficients after rotation to maximize the correlation. Experimental or model maps are also used to create histograms relating the value of electron density at the central point to the correlation coefficient of the density surrounding this point with each member of the set of standard patterns. These histograms are then used to estimate the electron density at each point in a new experimental electron-density map using the pattern of electron density at points surrounding that point and the correlation coefficient of this density to each of the set of standard templates, again after rotation to maximize the correlation. The method is strengthened by excluding any information from the point in question from both the templates and the local pattern of density in the calculation. A function based on the origin of the Patterson function is used to remove information about the electron density at the point in question from nearby electron density. This allows an estimation of the electron density at each point in a map, using only information from other points in the process. The resulting estimates of electron density are shown to have errors that are nearly independent of the errors in the original map using

  17. Non-relativistic spinning particle in a Newton-Cartan background

    Science.gov (United States)

    Barducci, Andrea; Casalbuoni, Roberto; Gomis, Joaquim

    2018-01-01

    We construct the action of a non-relativistic spinning particle moving in a general torsionless Newton-Cartan background. The particle does not follow the geodesic equations, instead the motion is governed by the non-relativistic analog of Papapetrou equation. The spinning particle is described in terms of Grassmann variables. In the flat case the action is invariant under the non-relativistic analog of space-time vector supersymmetry.

  18. Classical particle limit of non-relativistic quantum mechanics

    International Nuclear Information System (INIS)

    Zucchini, R.

    1984-01-01

    We study the classical particle limit of non-relativistic quantum mechanics. We show that the unitary group describing the evolution of the quantum fluctuation around any classical phase orbit has a classical limit as h → 0 in the strong operator topology for a very large class of time independent scalar and vector potentials, which in practice covers all physically interesting cases. We also show that the mean values of the quantum mechanical position and velocity operators on suitable states, obtained by time evolution of the product of a Weyl operator centred around the large coordinates and momenta and a fixed n-independent wave function, converge to the solution of the classical equations with initial data as h → 0 for a broad class of repulsive interactions

  19. Differential regularization of a non-relativistic anyon model

    International Nuclear Information System (INIS)

    Freedman, D.Z.; Rius, N.

    1993-07-01

    Differential regularization is applied to a field theory of a non-relativistic charged boson field φ with λ(φ * φ) 2 self-interaction and coupling to a statistics-changing 0(1) Chern-Simons gauge field. Renormalized configuration-space amplitudes for all diagrams contributing to the φ * φ * φφ 4-point function, which is the only primitively divergent Green's function, are obtained up to 3-loop order. The renormalization group equations are explicitly checked, and the scheme dependence of the β-function is investigated. If the renormalization scheme is fixed to agree with a previous 1-loop calculation, the 2- and 3-loop contributions to β(λ, e) vanish, and β(λ, ε) itself vanishes when the ''self-dual'' condition relating λ to the gauge coupling e is imposed. (author). 12 refs, 1 fig

  20. A signed particle formulation of non-relativistic quantum mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Sellier, Jean Michel, E-mail: jeanmichel.sellier@parallel.bas.bg

    2015-09-15

    A formulation of non-relativistic quantum mechanics in terms of Newtonian particles is presented in the shape of a set of three postulates. In this new theory, quantum systems are described by ensembles of signed particles which behave as field-less classical objects which carry a negative or positive sign and interact with an external potential by means of creation and annihilation events only. This approach is shown to be a generalization of the signed particle Wigner Monte Carlo method which reconstructs the time-dependent Wigner quasi-distribution function of a system and, therefore, the corresponding Schrödinger time-dependent wave-function. Its classical limit is discussed and a physical interpretation, based on experimental evidences coming from quantum tomography, is suggested. Moreover, in order to show the advantages brought by this novel formulation, a straightforward extension to relativistic effects is discussed. To conclude, quantum tunnelling numerical experiments are performed to show the validity of the suggested approach.

  1. Holographic energy loss in non-relativistic backgrounds

    Energy Technology Data Exchange (ETDEWEB)

    Atashi, Mahdi; Fadafan, Kazem Bitaghsir; Farahbodnia, Mitra [Shahrood University of Technology, Physics Department, P.O. Box 3619995161, Shahrood (Iran, Islamic Republic of)

    2017-03-15

    In this paper, we study some aspects of energy loss in non-relativistic theories from holography. We analyze the energy lost by a rotating heavy point particle along a circle of radius l with angular velocity ω in theories with general dynamical exponent z and hyperscaling violation exponent θ. It is shown that this problem provides a novel perspective on the energy loss in such theories. A general computation at zero and finite temperature is done and it is shown how the total energy loss rate depends non-trivially on two characteristic exponents (z,θ). We find that at zero temperature there is a special radius l{sub c} where the energy loss is independent of different values of (θ,z). Also at zero temperature, there is a crossover between a regime in which the energy loss is dominated by the linear drag force and by the radiation because of the acceleration of the rotating particle. We find that the energy loss of the particle decreases by increasing θ and z. We note that, unlike in the zero temperature, there is no special radius l{sub c} at finite temperature case. (orig.)

  2. Global and local level density models

    International Nuclear Information System (INIS)

    Koning, A.J.; Hilaire, S.; Goriely, S.

    2008-01-01

    Four different level density models, three phenomenological and one microscopic, are consistently parameterized using the same set of experimental observables. For each of the phenomenological models, the Constant Temperature Model, the Back-shifted Fermi gas Model and the Generalized Superfluid Model, a version without and with explicit collective enhancement is considered. Moreover, a recently published microscopic combinatorial model is compared with the phenomenological approaches and with the same set of experimental data. For each nuclide for which sufficient experimental data exists, a local level density parameterization is constructed for each model. Next, these local models have helped to construct global level density prescriptions, to be used for cases for which no experimental data exists. Altogether, this yields a collection of level density formulae and parameters that can be used with confidence in nuclear model calculations. To demonstrate this, a large-scale validation with experimental discrete level schemes and experimental cross sections and neutron emission spectra for various different reaction channels has been performed

  3. Particle production in high energy collisions and the non-relativistic quark model

    International Nuclear Information System (INIS)

    Anisovich, V.V.; Nyiri, J.

    1981-07-01

    The present review deals with multiparticle production processes at high energies using ideas which originate in the non-relativistic quark model. Consequences of the approach are considered and they are compared with experimental data. (author)

  4. Probabilistic solutions of generalized birth and death equations and application to non-relativistic electrodynamics

    International Nuclear Information System (INIS)

    Serva, M.

    1986-01-01

    In this paper we give probabilistic solutions to the equations describing non-relativistic quantum electrodynamical systems. These solutions involve, besides the usual diffusion processes, also birth and death processes corresponding to the 'photons number' variables. We state some inequalities and in particular we establish bounds to the ground state energy of systems composed by a non relativistic particle interacting with a field. The result is general and it is applied as an example to the polaron problem. (orig.)

  5. A unified treatment of the non-relativistic and relativistic hydrogen atom: Pt. 2

    International Nuclear Information System (INIS)

    Swainson, R.A.; Drake, G.W.F.

    1991-01-01

    This is the second in a series of three papers in which it is shown how the radial part of non-relativistic and relativistic hydrogenic bound-state calculations involving the Green functions can be presented in a unified manner. In this paper the non-relativistic Green function is examined in detail; new functional forms are presented and a clear mathematical progression is show to link these and most other known forms. A linear transformation of the four radial parts of the relativistic Green function is given which allows for the presentation of this function as a simple generalization of the non-relativistic Green function. Thus, many properties of the non-relativistic Green function are shown to have simple relativistic generalizations. In particular, new recursion relations of the radial parts of both the non-relativistic and relativistic Green functions are presented, along with new expressions for the double Laplace transforms and recursion relations between the radial matrix elements. (author)

  6. Heavy-to-light form factors for non-relativistic bound states

    International Nuclear Information System (INIS)

    Bell, G.; Feldmann, Th.

    2007-01-01

    We investigate transition form factors between non-relativistic QCD bound states at large recoil energy. Assuming the decaying quark to be much heavier than its decay product, the relativistic dynamics can be treated according to the factorization formula for heavy-to-light form factors obtained from the heavy-quark expansion in QCD. The non-relativistic expansion determines the bound-state wave functions to be Coulomb-like. As a consequence, one can explicitly calculate the so-called 'soft-overlap' contribution to the transition form factor

  7. Infinite stochastic acceleration of charged particles from non-relativistic initial energies

    International Nuclear Information System (INIS)

    Buts, V.A.; Manujlenko, O.V.; Turkin, Yu.A.

    1997-01-01

    Stochastic charged particle acceleration by electro-magnetic field due to overlapping of non-linear cyclotron resonances is considered. It was shown that non-relativistic charged particles are involved in infinitive stochastic acceleration regime. This effect can be used for stochastic acceleration or for plasma heating by regular electro-magnetic fields

  8. Detecting non-relativistic cosmic neutrinos by capture on tritium: phenomenology and physics potential

    Energy Technology Data Exchange (ETDEWEB)

    Long, Andrew J.; Lunardini, Cecilia; Sabancilar, Eray, E-mail: andrewjlong@asu.edu, E-mail: Cecilia.Lunardini@asu.edu, E-mail: Eray.Sabancilar@asu.edu [Physics Department, Arizona State University, Tempe, Arizona 85287 (United States)

    2014-08-01

    We study the physics potential of the detection of the Cosmic Neutrino Background via neutrino capture on tritium, taking the proposed PTOLEMY experiment as a case study. With the projected energy resolution of Δ ∼ 0.15 eV, the experiment will be sensitive to neutrino masses with degenerate spectrum, m{sub 1} ≅ m{sub 2} ≅ m{sub 3} = m{sub ν} ∼> 0.1 eV. These neutrinos are non-relativistic today; detecting them would be a unique opportunity to probe this unexplored kinematical regime. The signature of neutrino capture is a peak in the electron spectrum that is displaced by 2 m{sub ν} above the beta decay endpoint. The signal would exceed the background from beta decay if the energy resolution is Δ ∼< 0.7 m{sub ν} . Interestingly, the total capture rate depends on the origin of the neutrino mass, being Γ{sup D} ≅ 4 and Γ{sup M} ≅ 8 events per year (for a 100 g tritium target) for unclustered Dirac and Majorana neutrinos, respectively. An enhancement of the rate of up to O(1) is expected due to gravitational clustering, with the unique potential to probe the local overdensity of neutrinos. Turning to more exotic neutrino physics, PTOLEMY could be sensitive to a lepton asymmetry, and reveal the eV-scale sterile neutrino that is favored by short baseline oscillation searches. The experiment would also be sensitive to a neutrino lifetime on the order of the age of the universe and break the degeneracy between neutrino mass and lifetime which affects existing bounds.

  9. Local density approach to surfaces and adsorbed layers

    International Nuclear Information System (INIS)

    Wimmer, E.; Freeman, A.J.; Weinert, M.

    1986-01-01

    The authors show that the local density problem for the thin film geometry can be solved with high accuracy by employing the all-electron full-potential linearized augmented-plane-wave method. This is achieved by removing all shape approximations in the charge density and the potential and by using a highly flexible variational basis set. Also demonstrated is the fact that for a graphite monolayer, local density total energies give excellent descriptions of equilibrium geometries and discuss the overestimation of local-density cohesive energies due to an incomplete treatment of correlation effects in the free atom

  10. More effective field theory for non-relativistic scattering

    International Nuclear Information System (INIS)

    Kaplan, D.B.

    1997-01-01

    An effective field theory treatment of nucleon-nucleon scattering at low energy shows much promise and could prove to be a useful tool in the study of nuclear matter at both ordinary and extreme densities. The analysis is complicated by the existence a large length scale - the scattering length -which arises due to couplings in the short distance theory being near critical values. I show how this can be dealt with by introducing an explicit s-channel state in the effective field theory. The procedure is worked out analytically in a toy example. I then demonstrate that a simple effective field theory excellently reproduces the 1 S 0 np phase shift up to the pion production threshold. (orig.)

  11. Step Density Profiles in Localized Chains

    Science.gov (United States)

    De Roeck, Wojciech; Dhar, Abhishek; Huveneers, François; Schütz, Marius

    2017-06-01

    We consider two types of strongly disordered one-dimensional Hamiltonian systems coupled to baths (energy or particle reservoirs) at the boundaries: strongly disordered quantum spin chains and disordered classical harmonic oscillators. These systems are believed to exhibit localization, implying in particular that the conductivity decays exponentially in the chain length L. We ask however for the profile of the (very slowly) transported quantity in the steady state. We find that this profile is a step-function, jumping in the middle of the chain from the value set by the left bath to the value set by the right bath. This is confirmed by numerics on a disordered quantum spin chain of 9 spins and on much longer chains of harmonic oscillators. From theoretical arguments, we find that the width of the step grows not faster than √{L}, and we confirm this numerically for harmonic oscillators. In this case, we also observe a drastic breakdown of local equilibrium at the step, resulting in a heavily oscillating temperature profile.

  12. Radiative transitions of B and Bs mesons in a non relativistic quark model with hulthen potential

    International Nuclear Information System (INIS)

    D'Souza, Praveen P.; Monteiro, A.P.; Vijaya Kumar, K.B.

    2017-01-01

    Heavy light mesons composed of one heavy quark and one light quark. They are the only mesons containing quarks of the third generation. Which has contributed enormously to our understanding of elementary particles and their interactions. In our calculation we get variational parameter for different heavy-light mesons. Having variational parameter eigen energy will be obtained. For meson system, the Hulthen term acts like a Coulombic term. The spin dependent potential from One Gluon Exchange Potential (OGEP) is introduced. The goal of the present work is to obtain the decay widths and understand the uncertainties in the calculation in the frame work of non-relativistic quark models. In the non-relativistic models this is satisfied for the c, b and t quarks

  13. CORRELATION BETWEEN GROUP LOCAL DENSITY AND GROUP LUMINOSITY

    Energy Technology Data Exchange (ETDEWEB)

    Deng Xinfa [School of Science, Nanchang University, Jiangxi 330031 (China); Yu Guisheng [Department of Natural Science, Nanchang Teachers College, Jiangxi 330103 (China)

    2012-11-10

    In this study, we investigate the correlation between group local number density and total luminosity of groups. In four volume-limited group catalogs, we can conclude that groups with high luminosity exist preferentially in high-density regions, while groups with low luminosity are located preferentially in low-density regions, and that in a volume-limited group sample with absolute magnitude limit M{sub r} = -18, the correlation between group local number density and total luminosity of groups is the weakest. These results basically are consistent with the environmental dependence of galaxy luminosity.

  14. Some no-go theorems for string duals of non-relativistic Lifshitz-like theories

    International Nuclear Information System (INIS)

    Li Wei; Takayanagi, Tadashi; Nishioka, Tatsuma

    2009-01-01

    We study possibilities of string theory embeddings of the gravity duals for non-relativistic Lifshitz-like theories with anisotropic scale invariance. We search classical solutions in type IIA and eleven-dimensional supergravities which are expected to be dual to (2+1)-dimensional Lifshitz-like theories. Under reasonable ansaetze, we prove that such gravity duals in the supergravities are not possible. We also discuss a possible physical reason behind this.

  15. Invariance Lie algebra and group of the non relativistic hydrogen atom

    International Nuclear Information System (INIS)

    Decoster, Alain

    1970-01-01

    The first part of this work contains a general survey of the use of Lie groups and algebras in quantum mechanics, followed by an extensive description of tbe invariance algebra and invariance group of the non-relativistic hydrogen atom; the realization of this group discovered by FOCK is specially examined. The second part is a two-hundred items bibliography on invariance groups and algebras of classical and quantum-mechanical simple systems. (author) [fr

  16. Angular momentum in non-relativistic QED and photon contribution to spin of hydrogen atom

    International Nuclear Information System (INIS)

    Chen Panying; Ji Xiangdong; Xu Yang; Zhang Yue

    2010-01-01

    We study angular momentum in non-relativistic quantum electrodynamics (NRQED). We construct the effective total angular momentum operator by applying Noether's theorem to the NRQED lagrangian. We calculate the NRQED matching for the individual components of the QED angular momentum up to one loop. We illustrate an application of our results by the first calculation of the angular momentum of the ground state hydrogen atom carried in radiative photons, α em 3 /18π, which might be measurable in future atomic experiments.

  17. Study of the equations of a particle in Non- Relativistic Quantum Mechanics

    International Nuclear Information System (INIS)

    Miltao, Milton Souza Ribeiro; Silva, Vanessa Santos Teles da

    2011-01-01

    Full text: The study of group theory is relevant to the treatment of physical problems, in which concepts of invariance and symmetry are important. In the field of Non-Relativistic Quantum Mechanics, we can do algebraic considerations taking into account the principles of symmetry, considering the framework of the study of Galileo transformations, which have characteristics of group. Therefore, we discuss the Stern-Gerlach experiment that had the historical importance of demonstrating that the electron has an intrinsic angular momentum. Through discussion of this experiment, we found that the spin appears in Non-Relativistic Quantum Mechanics as a feature of the algebraic structure underlying any physical theory represented by a group. From these studies, we have algebraic considerations for physical systems in non-relativistic domain, which are described by the Schroedinger and Pauli equations, describing the dynamics of particles of spin zero and 1/2 respectively, taking into account the structure of the transformations Galileo. Due to the operatorial, we represent Galileo's transformations by matrices by choosing an appropriate basis of space-time. Using these arrays, we saw group characteristics associated with these transformations, which we call the Galileo Group. We note the invariance of the Schroedinger and Pauli equations after these changes, as well as the physical state associated with it, which is represented by a radius vector in Hilbert space. (author)

  18. Non-relativistic Limit of a Dirac Polaron in Relativistic Quantum Electrodynamics

    CERN Document Server

    Arai, A

    2006-01-01

    A quantum system of a Dirac particle interacting with the quantum radiation field is considered in the case where no external potentials exist. Then the total momentum of the system is conserved and the total Hamiltonian is unitarily equivalent to the direct integral $\\int_{{\\bf R}^3}^\\oplus\\overline{H({\\bf p})}d{\\bf p}$ of a family of self-adjoint operators $\\overline{H({\\bf p})}$ acting in the Hilbert space $\\oplus^4{\\cal F}_{\\rm rad}$, where ${\\cal F}_{\\rm rad}$ is the Hilbert space of the quantum radiation field. The fibre operator $\\overline{H({\\bf p})}$ is called the Hamiltonian of the Dirac polaron with total momentum ${\\bf p} \\in {\\bf R}^3$. The main result of this paper is concerned with the non-relativistic (scaling) limit of $\\overline{H({\\bf p})}$. It is proven that the non-relativistic limit of $\\overline{H({\\bf p})}$ yields a self-adjoint extension of a Hamiltonian of a polaron with spin $1/2$ in non-relativistic quantum electrodynamics.

  19. Spin force and torque in non-relativistic Dirac oscillator on a sphere

    Science.gov (United States)

    Shikakhwa, M. S.

    2018-03-01

    The spin force operator on a non-relativistic Dirac oscillator (in the non-relativistic limit the Dirac oscillator is a spin one-half 3D harmonic oscillator with strong spin-orbit interaction) is derived using the Heisenberg equations of motion and is seen to be formally similar to the force by the electromagnetic field on a moving charged particle. When confined to a sphere of radius R, it is shown that the Hamiltonian of this non-relativistic oscillator can be expressed as a mere kinetic energy operator with an anomalous part. As a result, the power by the spin force and torque operators in this case are seen to vanish. The spin force operator on the sphere is calculated explicitly and its torque is shown to be equal to the rate of change of the kinetic orbital angular momentum operator, again with an anomalous part. This, along with the conservation of the total angular momentum, suggests that the spin force exerts a spin-dependent torque on the kinetic orbital angular momentum operator in order to conserve total angular momentum. The presence of an anomalous spin part in the kinetic orbital angular momentum operator gives rise to an oscillatory behavior similar to the Zitterbewegung. It is suggested that the underlying physics that gives rise to the spin force and the Zitterbewegung is one and the same in NRDO and in systems that manifest spin Hall effect.

  20. Condensation for non-relativistic matter in Hořava–Lifshitz gravity

    Directory of Open Access Journals (Sweden)

    Jiliang Jing

    2015-10-01

    Full Text Available We study condensation for non-relativistic matter in a Hořava–Lifshitz black hole without the condition of the detailed balance. We show that, for the fixed non-relativistic parameter α2 (or the detailed balance parameter ϵ, it is easier for the scalar hair to form as the parameter ϵ (or α2 becomes larger, but the condensation is not affected by the non-relativistic parameter β2. We also find that the ratio of the gap frequency in conductivity to the critical temperature decreases with the increase of ϵ and α2, but increases with the increase of β2. The ratio can reduce to the Horowitz–Roberts relation ωg/Tc≈8 obtained in the Einstein gravity and Cai's result ωg/Tc≈13 found in a Hořava–Lifshitz gravity with the condition of the detailed balance for the relativistic matter. Especially, we note that the ratio can arrive at the value of the BCS theory ωg/Tc≈3.5 by taking proper values of the parameters.

  1. Local-scaling density-functional method: Intraorbit and interorbit density optimizations

    International Nuclear Information System (INIS)

    Koga, T.; Yamamoto, Y.; Ludena, E.V.

    1991-01-01

    The recently proposed local-scaling density-functional theory provides us with a practical method for the direct variational determination of the electron density function ρ(r). The structure of ''orbits,'' which ensures the one-to-one correspondence between the electron density ρ(r) and the N-electron wave function Ψ({r k }), is studied in detail. For the realization of the local-scaling density-functional calculations, procedures for intraorbit and interorbit optimizations of the electron density function are proposed. These procedures are numerically illustrated for the helium atom in its ground state at the beyond-Hartree-Fock level

  2. Many-body localization from one particle density matrix

    Energy Technology Data Exchange (ETDEWEB)

    Bera, Soumya; Bardarson, Jens [Max Planck Institute for the Physics of Complex Systems, Dresden (Germany); Schomerus, Henning [Lancaster University, Lancaster (United Kingdom); Heidrich-Meisner, Fabian [Ludwig-Maximilians-Universitaet Muenchen (Germany)

    2016-07-01

    We show that the one-particle density matrix ρ can be used to characterize the interaction-driven many-body localization transition in isolated fermionic systems. The natural orbitals (the eigenstates) are localized in the many-body localized phase and spread out when one enters the delocalized phase, while the occupation spectrum (the set of eigenvalues) reveals the distinctive Fock- space structure of the many-body eigenstates, exhibiting a step-like discontinuity in the localized phase. The associated one-particle occupation entropy is small in the localized phase and large in the delocalized phase, with diverging fluctuations at the transition.

  3. Procedure of non-contacting local mass density and mass density distribution measurements

    International Nuclear Information System (INIS)

    Menzel, M.; Winkler, K.

    1985-01-01

    The invention has been aimed at a procedure of non-contacting local mass density and/or mass density distribution measurements i.e. without the interfering influence of sensors or probes. It can be applied to installations, apparatuses and pipings of chemical engineering, to tank constructions and transportation on extreme temperature and/or pressure conditions and aggressive media influences respectively. The procedure has utilized an ionizing quantum radiation whereby its unknown weakening and scattering is compensated by a suitable combination of scattering and transmission counter rate measurements in such a way that the local mass densities and the mass density distribution respectively are determinable

  4. Non-relativistic AdS branes and Newton-Hooke superalgebra

    International Nuclear Information System (INIS)

    Sakaguchi, Makoto; Yoshida, Kentaroh

    2006-01-01

    We examine a non-relativistic limit of D-branes in AdS 5 x S 5 and M-branes in AdS 4/7 x S 7/4 . First, Newton-Hooke superalgebras for the AdS branes are derived from AdS x S superalgebras as Inoenue-Wigner contractions. It is shown that the directions along which the AdS-brane worldvolume extends are restricted by requiring that the isometry on the AdS-brane worldvolume and the Lorentz symmetry in the transverse space naturally extend to the super-isometry. We also derive Newton-Hooke superalgebras for pp-wave branes and show that the directions along which a brane worldvolume extends are restricted. Then the Wess-Zumino terms of the AdS branes are derived by using the Chevalley-Eilenberg cohomology on the super-AdS x S algebra, and the non-relativistic limit of the AdS-brane actions is considered. We show that the consistent limit is possible for the following branes: Dp (even,even) for p = 1 mod 4 and Dp (odd,odd) for p = 3 mod 4 in AdS 5 x S 5 , and M2 (0,3), M2 (2,1), M5 (1,5) and M5 (3,3) in AdS 4 x S 7 and S 4 x AdS 7 . We furthermore present non-relativistic actions for the AdS branes

  5. Search for non-relativistic magnetic monopoles with IceCube

    Energy Technology Data Exchange (ETDEWEB)

    Aartsen, M.G.; Hill, G.C.; Robertson, S.; Whelan, B.J. [University of Adelaide, School of Chemistry and Physics, Adelaide, SA (Australia); Abbasi, R.; Ahlers, M.; Arguelles, C.; Baker, M.; BenZvi, S.; Chirkin, D.; Day, M.; Desiati, P.; Diaz-Velez, J.C.; Eisch, J.; Fadiran, O.; Feintzeig, J.; Gladstone, L.; Halzen, F.; Hoshina, K.; Jacobsen, J.; Jero, K.; Karle, A.; Kauer, M.; Kelley, J.L.; Kopper, C.; Krasberg, M.; Kurahashi, N.; Landsman, H.; Maruyama, R.; McNally, F.; Merck, M.; Morse, R.; Riedel, B.; Rodrigues, J.P.; Santander, M.; Tobin, M.N.; Toscano, S.; Van Santen, J.; Weaver, C.; Wellons, M.; Wendt, C.; Westerhoff, S.; Whitehorn, N. [University of Wisconsin, Department of Physics and Wisconsin IceCube Particle Astrophysics Center, Madison, WI (United States); Ackermann, M.; Benabderrahmane, M.L.; Berghaus, P.; Bernardini, E.; Bretz, H.P.; Cruz Silva, A.H.; Gluesenkamp, T.; Jacobi, E.; Kaminsky, B.; Karg, T.; Middell, E.; Mohrmann, L.; Nahnhauer, R.; Schoenwald, A.; Shanidze, R.; Spiering, C.; Stoessl, A.; Yanez, J.P. [DESY, Zeuthen (Germany); Adams, J.; Brown, A.M.; Hickford, S.; Macias, O. [University of Canterbury, Department of Physics and Astronomy, Private Bag 4800, Christchurch (New Zealand); Aguilar, J.A.; Christov, A.; Montaruli, T.; Rameez, M.; Vallecorsa, S. [Universite de Geneve, Departement de physique nucleaire et corpusculaire, Geneva (Switzerland); Altmann, D.; Classen, L.; Gora, D.; Kappes, A.; Tselengidou, M. [Friedrich-Alexander-Universitaet Erlangen-Nuernberg, Erlangen Centre for Astroparticle Physics, Erlangen (Germany); Arlen, T.C.; De Andre, J.P.A.M.; DeYoung, T.; Dunkman, M.; Eagan, R.; Groh, J.C.; Huang, F.; Quinnan, M.; Smith, M.W.E.; Stanisha, N.A.; Tesic, G. [Pennsylvania State University, Department of Physics, University Park, PA (United States); Auffenberg, J.; Bissok, M.; Blumenthal, J.; Gretskov, P.; Haack, C.; Hallen, P.; Heinen, D.; Jagielski, K.; Kriesten, A.; Krings, K.; Leuermann, M.; Paul, L.; Raedel, L.; Reimann, R.; Schoenen, S.; Schukraft, A.; Vehring, M.; Wallraff, M.; Wiebusch, C.H.; Zierke, S. [RWTH Aachen University, III. Physikalisches Institut, Aachen (Germany); Bai, X.; Evenson, P.A.; Gaisser, T.K.; Gonzalez, J.G.; Hussain, S.; Kuwabara, T.; Ruzybayev, B.; Seckel, D.; Stanev, T.; Tamburro, A.; Tilav, S. [University of Delaware, Bartol Research Institute and Department of Physics and Astronomy, Newark, DE (United States); Barwick, S.W.; Yodh, G. [University of California, Department of Physics and Astronomy, Irvine, CA (United States); Baum, V.; Eberhardt, B.; Koepke, L.; Kroll, G.; Luenemann, J.; Sander, H.G.; Schatto, K.; Wiebe, K. [University of Mainz, Institute of Physics, Mainz (Germany); Bay, R.; Filimonov, K.; Price, P.B.; Woschnagg, K. [University of California, Department of Physics, Berkeley, CA (United States); Beatty, J.J. [Ohio State University, Department of Physics and Center for Cosmology and Astro-Particle Physics, Columbus, OH (United States); Ohio State University, Department of Astronomy, Columbus, OH (United States); Becker Tjus, J.; Eichmann, B.; Fedynitch, A.; Saba, S.M.; Schoeneberg, S.; Unger, E. [Ruhr-Universitaet Bochum, Fakultaet fuer Physik and Astronomie, Bochum (Germany); Becker, K.H.; Bindig, D.; Fischer-Wasels, T.; Helbing, K.; Hoffmann, R.; Klaes, J.; Kopper, S.; Naumann, U.; Obertacke, A.; Omairat, A.; Posselt, J.; Soldin, D.; Tepe, A. [University of Wuppertal, Department of Physics, Wuppertal (Germany); Berley, D.; Blaufuss, E.; Christy, B.; Goodman, J.A.; Hellauer, R.; Hoffman, K.D.; Huelsnitz, W.; Meagher, K.; Olivas, A.; Redl, P.; Richman, M.; Schmidt, T.; Sullivan, G.W.; Wissing, H. [University of Maryland, Department of Physics, College Park, MD (United States); Bernhard, A.; Coenders, S.; Gross, A.; Leute, J.; Resconi, E.; Schulz, O.; Sestayo, Y. [T.U. Munich, Garching (Germany); Besson, D.Z. [University of Kansas, Department of Physics and Astronomy, Lawrence, KS (United States); Binder, G.; Gerhardt, L.; Ha, C.; Klein, S.R.; Miarecki, S. [University of California, Department of Physics, Berkeley, CA (United States); Lawrence Berkeley National Laboratory, Berkeley, CA (United States); Boersma, D.J.; Botner, O.; Euler, S.; Hallgren, A.; Perez de los Heros, C.; Stroem, R.; Taavola, H. [Uppsala University, Department of Physics and Astronomy, Box 516, Uppsala (Sweden); Bohm, C.; Danninger, M.; Finley, C.; Flis, S.; Hulth, P.O.; Hultqvist, K.; Walck, C.; Wolf, M.; Zoll, M. [Stockholm University, Oskar Klein Centre and Department of Physics, Stockholm (Sweden); Bose, D.; Rott, C. [Sungkyunkwan University, Department of Physics, Suwon (Korea, Republic of); Collaboration: IceCube Collaboration; and others

    2014-07-15

    The IceCube Neutrino Observatory is a large Cherenkov detector instrumenting 1 km{sup 3} of Antarctic ice. The detector can be used to search for signatures of particle physics beyond the Standard Model. Here, we describe the search for non-relativistic, magnetic monopoles as remnants of the Grand Unified Theory (GUT) era shortly after the Big Bang. Depending on the underlying gauge group these monopoles may catalyze the decay of nucleons via the Rubakov-Callan effect with a cross section suggested to be in the range of 10{sup -27} to 10{sup -21} cm{sup 2}. In IceCube, the Cherenkov light from nucleon decays along the monopole trajectory would produce a characteristic hit pattern. This paper presents the results of an analysis of first data taken from May 2011 until May 2012 with a dedicated slow particle trigger for DeepCore, a subdetector of IceCube. A second analysis provides better sensitivity for the brightest non-relativistic monopoles using data taken from May 2009 until May 2010. In both analyses no monopole signal was observed. For catalysis cross sections of 10{sup -22} (10{sup -24}) cm{sup 2} the flux of non-relativistic GUT monopoles is constrained up to a level of Φ{sub 90} ≤ 10{sup -18} (10{sup -17}) cm{sup -2} s{sup -1} sr{sup -1} at a 90 % confidence level, which is three orders of magnitude below the Parker bound. The limits assume a dominant decay of the proton into a positron and a neutral pion. These results improve the current best experimental limits by one to two orders of magnitude, for a wide range of assumed speeds and catalysis cross sections. (orig.)

  6. Search for non-relativistic magnetic monopoles with IceCube

    International Nuclear Information System (INIS)

    Aartsen, M.G.; Hill, G.C.; Robertson, S.; Whelan, B.J.; Abbasi, R.; Ahlers, M.; Arguelles, C.; Baker, M.; BenZvi, S.; Chirkin, D.; Day, M.; Desiati, P.; Diaz-Velez, J.C.; Eisch, J.; Fadiran, O.; Feintzeig, J.; Gladstone, L.; Halzen, F.; Hoshina, K.; Jacobsen, J.; Jero, K.; Karle, A.; Kauer, M.; Kelley, J.L.; Kopper, C.; Krasberg, M.; Kurahashi, N.; Landsman, H.; Maruyama, R.; McNally, F.; Merck, M.; Morse, R.; Riedel, B.; Rodrigues, J.P.; Santander, M.; Tobin, M.N.; Toscano, S.; Van Santen, J.; Weaver, C.; Wellons, M.; Wendt, C.; Westerhoff, S.; Whitehorn, N.; Ackermann, M.; Benabderrahmane, M.L.; Berghaus, P.; Bernardini, E.; Bretz, H.P.; Cruz Silva, A.H.; Gluesenkamp, T.; Jacobi, E.; Kaminsky, B.; Karg, T.; Middell, E.; Mohrmann, L.; Nahnhauer, R.; Schoenwald, A.; Shanidze, R.; Spiering, C.; Stoessl, A.; Yanez, J.P.; Adams, J.; Brown, A.M.; Hickford, S.; Macias, O.; Aguilar, J.A.; Christov, A.; Montaruli, T.; Rameez, M.; Vallecorsa, S.; Altmann, D.; Classen, L.; Gora, D.; Kappes, A.; Tselengidou, M.; Arlen, T.C.; De Andre, J.P.A.M.; DeYoung, T.; Dunkman, M.; Eagan, R.; Groh, J.C.; Huang, F.; Quinnan, M.; Smith, M.W.E.; Stanisha, N.A.; Tesic, G.; Auffenberg, J.; Bissok, M.; Blumenthal, J.; Gretskov, P.; Haack, C.; Hallen, P.; Heinen, D.; Jagielski, K.; Kriesten, A.; Krings, K.; Leuermann, M.; Paul, L.; Raedel, L.; Reimann, R.; Schoenen, S.; Schukraft, A.; Vehring, M.; Wallraff, M.; Wiebusch, C.H.; Zierke, S.; Bai, X.; Evenson, P.A.; Gaisser, T.K.; Gonzalez, J.G.; Hussain, S.; Kuwabara, T.; Ruzybayev, B.; Seckel, D.; Stanev, T.; Tamburro, A.; Tilav, S.; Barwick, S.W.; Yodh, G.; Baum, V.; Eberhardt, B.; Koepke, L.; Kroll, G.; Luenemann, J.; Sander, H.G.; Schatto, K.; Wiebe, K.; Bay, R.; Filimonov, K.; Price, P.B.; Woschnagg, K.; Beatty, J.J.; Becker Tjus, J.; Eichmann, B.; Fedynitch, A.; Saba, S.M.; Schoeneberg, S.; Unger, E.; Becker, K.H.; Bindig, D.; Fischer-Wasels, T.; Helbing, K.; Hoffmann, R.; Klaes, J.; Kopper, S.; Naumann, U.; Obertacke, A.; Omairat, A.; Posselt, J.; Soldin, D.; Tepe, A.; Berley, D.; Blaufuss, E.; Christy, B.; Goodman, J.A.; Hellauer, R.; Hoffman, K.D.; Huelsnitz, W.; Meagher, K.; Olivas, A.; Redl, P.; Richman, M.; Schmidt, T.; Sullivan, G.W.; Wissing, H.; Bernhard, A.; Coenders, S.; Gross, A.; Leute, J.; Resconi, E.; Schulz, O.; Sestayo, Y.; Besson, D.Z.; Binder, G.; Gerhardt, L.; Ha, C.; Klein, S.R.; Miarecki, S.; Boersma, D.J.; Botner, O.; Euler, S.; Hallgren, A.; Perez de los Heros, C.; Stroem, R.; Taavola, H.; Bohm, C.; Danninger, M.; Finley, C.; Flis, S.; Hulth, P.O.; Hultqvist, K.; Walck, C.; Wolf, M.; Zoll, M.; Bose, D.; Rott, C.

    2014-01-01

    The IceCube Neutrino Observatory is a large Cherenkov detector instrumenting 1 km 3 of Antarctic ice. The detector can be used to search for signatures of particle physics beyond the Standard Model. Here, we describe the search for non-relativistic, magnetic monopoles as remnants of the Grand Unified Theory (GUT) era shortly after the Big Bang. Depending on the underlying gauge group these monopoles may catalyze the decay of nucleons via the Rubakov-Callan effect with a cross section suggested to be in the range of 10 -27 to 10 -21 cm 2 . In IceCube, the Cherenkov light from nucleon decays along the monopole trajectory would produce a characteristic hit pattern. This paper presents the results of an analysis of first data taken from May 2011 until May 2012 with a dedicated slow particle trigger for DeepCore, a subdetector of IceCube. A second analysis provides better sensitivity for the brightest non-relativistic monopoles using data taken from May 2009 until May 2010. In both analyses no monopole signal was observed. For catalysis cross sections of 10 -22 (10 -24 ) cm 2 the flux of non-relativistic GUT monopoles is constrained up to a level of Φ 90 ≤ 10 -18 (10 -17 ) cm -2 s -1 sr -1 at a 90 % confidence level, which is three orders of magnitude below the Parker bound. The limits assume a dominant decay of the proton into a positron and a neutral pion. These results improve the current best experimental limits by one to two orders of magnitude, for a wide range of assumed speeds and catalysis cross sections. (orig.)

  7. Local density approximation for exchange in excited-state density functional theory

    OpenAIRE

    Harbola, Manoj K.; Samal, Prasanjit

    2004-01-01

    Local density approximation for the exchange energy is made for treatment of excited-states in density-functional theory. It is shown that taking care of the state-dependence of the LDA exchange energy functional leads to accurate excitation energies.

  8. On the H particle stability in the non relativistic quark model

    International Nuclear Information System (INIS)

    Silvestre-Brac, B.; Carbonell, J.; Gignoux, C.

    1987-05-01

    The H particle with quark content (uuddss) is presented as a good candidate to be stable with respect to strong interactions. In the framework of a non relativistic potential model, the binding energy is calculated by a full dynamical approach using a resonating group trial wave function. The center of mass motion and the Pauli principle are correctly treated. Sophisticated baryon wave functions are employed and the equation of motion is solved with six coupled channels including radial excited baryon states. The effect of breaking SU(3) flavour symmetry is discussed in detail

  9. X-versus y-scaling in non-relativistic deep inelastic scattering

    Energy Technology Data Exchange (ETDEWEB)

    Santos Padula, S. dos; Escobar, C.O.

    1983-06-01

    It is shown, in the context of non-relativistic potential scattering, that the appropriate scaling variable for the deep inelastic region is not the usual Bjorken one x sub(Bj) = Q/sup 2//2 M..nu.. but instead, the variable y=(2m..nu..-q/sup 2/ sup(..-->..))/2q. The y-scaling is shown to be obtained in a natural way by using the WKB approximation. Numerical results are presented comparing the approach to scaling in terms of x sub(Bj) and y.

  10. X-versus y-scaling in non-relativistic deep inelastic scattering

    International Nuclear Information System (INIS)

    Santos Padula, S. dos; Escobar, C.O.

    1983-01-01

    It is shown, in the context of non-relativistic potential scattering, that the appropriate scaling variable for the deep inelastic region is not the usual Bjorken one x sub(Bj) = Q 2 /2 Mν but instead, the variable y=(2mν-q 2 sup(→))/2q. The y-scaling is shown to be obtained in a natural way by using the WKB approximation. Numerical results are presented comparing the approach to scaling in terms of x sub(Bj) and y. (Author) [pt

  11. Local breast density assessment using reacquired mammographic images.

    Science.gov (United States)

    García, Eloy; Diaz, Oliver; Martí, Robert; Diez, Yago; Gubern-Mérida, Albert; Sentís, Melcior; Martí, Joan; Oliver, Arnau

    2017-08-01

    The aim of this paper is to evaluate the spatial glandular volumetric tissue distribution as well as the density measures provided by Volpara™ using a dataset composed of repeated pairs of mammograms, where each pair was acquired in a short time frame and in a slightly changed position of the breast. We conducted a retrospective analysis of 99 pairs of repeatedly acquired full-field digital mammograms from 99 different patients. The commercial software Volpara™ Density Maps (Volpara Solutions, Wellington, New Zealand) is used to estimate both the global and the local glandular tissue distribution in each image. The global measures provided by Volpara™, such as breast volume, volume of glandular tissue, and volumetric breast density are compared between the two acquisitions. The evaluation of the local glandular information is performed using histogram similarity metrics, such as intersection and correlation, and local measures, such as statistics from the difference image and local gradient correlation measures. Global measures showed a high correlation (breast volume R=0.99, volume of glandular tissue R=0.94, and volumetric breast density R=0.96) regardless the anode/filter material. Similarly, histogram intersection and correlation metric showed that, for each pair, the images share a high degree of information. Regarding the local distribution of glandular tissue, small changes in the angle of view do not yield significant differences in the glandular pattern, whilst changes in the breast thickness between both acquisition affect the spatial parenchymal distribution. This study indicates that Volpara™ Density Maps is reliable in estimating the local glandular tissue distribution and can be used for its assessment and follow-up. Volpara™ Density Maps is robust to small variations of the acquisition angle and to the beam energy, although divergences arise due to different breast compression conditions. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Local Finite Density Theory, Statistical Blocking and Color Superconductivity

    OpenAIRE

    Ying, S.

    2000-01-01

    The motivation for the development of a local finite density theory is discussed. One of the problems related to an instability in the baryon number fluctuation of the chiral symmetry breaking phase of the quark system in the local theory is shown to exist. Such an instability problem is removed by taking into account the statistical blocking effects for the quark propagator, which depends on a macroscopic {\\em statistical blocking parameter} $\\epsilon$. This new frame work is then applied to...

  13. Ion beam enhancement in magnetically insulated ion diodes for high-intensity pulsed ion beam generation in non-relativistic mode

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, X. P. [Key Laboratory of Materials Modification by Laser, Ion, and Electron Beams, Ministry of Education, Dalian University of Technology, Dalian 116024 (China); Surface Engineering Laboratory, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China); Zhang, Z. C.; Lei, M. K., E-mail: surfeng@dlut.edu.cn [Surface Engineering Laboratory, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China); Pushkarev, A. I. [Surface Engineering Laboratory, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China); Laboratory of Beam and Plasma Technology, High Technologies Physics Institute, Tomsk Polytechnic University, 30, Lenin Ave, 634050 Tomsk (Russian Federation)

    2016-01-15

    High-intensity pulsed ion beam (HIPIB) with ion current density above Child-Langmuir limit is achieved by extracting ion beam from anode plasma of ion diodes with suppressing electron flow under magnetic field insulation. It was theoretically estimated that with increasing the magnetic field, a maximal value of ion current density may reach nearly 3 times that of Child-Langmuir limit in a non-relativistic mode and close to 6 times in a highly relativistic mode. In this study, the behavior of ion beam enhancement by magnetic insulation is systematically investigated in three types of magnetically insulated ion diodes (MIDs) with passive anode, taking into account the anode plasma generation process on the anode surface. A maximal enhancement factor higher than 6 over the Child-Langmuir limit can be obtained in the non-relativistic mode with accelerating voltage of 200–300 kV. The MIDs differ in two anode plasma formation mechanisms, i.e., surface flashover of a dielectric coating on the anode and explosive emission of electrons from the anode, as well as in two insulation modes of external-magnetic field and self-magnetic field with either non-closed or closed drift of electrons in the anode-cathode (A-K) gap, respectively. Combined with ion current density measurement, energy density characterization is employed to resolve the spatial distribution of energy density before focusing for exploring the ion beam generation process. Consistent results are obtained on three types of MIDs concerning control of neutralizing electron flows for the space charge of ions where the high ion beam enhancement is determined by effective electron neutralization in the A-K gap, while the HIPIB composition of different ion species downstream from the diode may be considerably affected by the ion beam neutralization during propagation.

  14. Some Mathematical Structures Including Simplified Non-Relativistic Quantum Teleportation Equations and Special Relativity

    International Nuclear Information System (INIS)

    Woesler, Richard

    2007-01-01

    The computations of the present text with non-relativistic quantum teleportation equations and special relativity are totally speculative, physically correct computations can be done using quantum field theory, which remain to be done in future. Proposals for what might be called statistical time loop experiments with, e.g., photon polarization states are described when assuming the simplified non-relativistic quantum teleportation equations and special relativity. However, a closed time loop would usually not occur due to phase incompatibilities of the quantum states. Histories with such phase incompatibilities are called inconsistent ones in the present text, and it is assumed that only consistent histories would occur. This is called an exclusion principle for inconsistent histories, and it would yield that probabilities for certain measurement results change. Extended multiple parallel experiments are proposed to use this statistically for transmission of classical information over distances, and regarding time. Experiments might be testable in near future. However, first a deeper analysis, including quantum field theory, remains to be done in future

  15. Pairing renormalization and regularization within the local density approximation

    International Nuclear Information System (INIS)

    Borycki, P.J.; Dobaczewski, J.; Nazarewicz, W.; Stoitsov, M.V.

    2006-01-01

    We discuss methods used in mean-field theories to treat pairing correlations within the local density approximation. Pairing renormalization and regularization procedures are compared in spherical and deformed nuclei. Both prescriptions give fairly similar results, although the theoretical motivation, simplicity, and stability of the regularization procedure make it a method of choice for future applications

  16. Comments on the locality in density-functional theory

    International Nuclear Information System (INIS)

    Lindgren, Ingvar; Salomonson, Sten

    2003-01-01

    The 'locality hypothesis' in density-functional theory (DFT), implying that the functional derivative is equivalent to a multiplicative local function, forms the basis of models of Kohn-Sham type. This has been generally accepted by the community since the advent of the model, and has later been formally proved for a large class of functionals. The hypothesis has recently been questioned by Nesbet [Phys. Rev. A 58, R12 (1998) and Phys. Rev. A 65, 010502 (2001)], who claims that it fails for the kinetic-energy functional for a system with more than two noninteracting electrons with a nondegenerate ground state. This conclusion has been questioned by Gal [Phys. Rev. A 62, 044501 (2000)] and by Holas and March [Phys. Rev. A 64, 016501 (2001)]. We claim that the arguments of Nesbet are incorrect, since the orbital functional used for the kinetic energy is not a unique functional of the total density in the domain of unnormalized orbitals. We have demonstrated that with a proper definition of the kinetic energy, which is a unique density functional also in the unnormalized region, the derivative can be represented by a single local multiplicative function for all v-representable densities. Therefore, we consider the controversy connected with the issue raised by Nesbet as resolved. We believe that the proof of the differentiability given here can be extended to larger groups of DFT functionals, and works along these lines are in progress

  17. Dielectric laser acceleration of non-relativistic electrons at a photonic structure

    Energy Technology Data Exchange (ETDEWEB)

    Breuer, John

    2013-08-29

    This thesis reports on the observation of dielectric laser acceleration of non-relativistic electrons via the inverse Smith-Purcell effect in the optical regime. Evanescent modes in the vicinity of a periodic grating structure can travel at the same velocity as the electrons along the grating surface. A longitudinal electric field component is used to continuously impart momentum onto the electrons. This is only possible in the near-field of a suitable photonic structure, which means that the electron beam has to pass the structure within about one wavelength. In our experiment we exploit the third spatial harmonic of a single fused silica grating excited by laser pulses derived from a Titanium:sapphire oscillator and accelerate non-relativistic 28 keV electrons. We measure a maximum energy gain of 280 eV, corresponding to an acceleration gradient of 25 MeV/m, already comparable with state-of-the-art radio-frequency linear accelerators. To experience this acceleration gradient the electrons approach the grating closer than 100 nm. We present the theory behind grating-based particle acceleration and discuss simulation results of dielectric laser acceleration in the near-field of photonic grating structures, which is excited by near-infrared laser light. Our measurements show excellent agreement with our simulation results and therefore confirm the direct acceleration with the light field. We further discuss the acceleration inside double grating structures, dephasing effects of non-relativistic electrons as well as the space charge effect, which can limit the attainable peak currents of these novel accelerator structures. The photonic structures described in this work can be readily concatenated and therefore represent a scalable realization of dielectric laser acceleration. Furthermore, our structures are directly compatible with the microstructures used for the acceleration of relativistic electrons demonstrated in parallel to this work by our collaborators in

  18. Self-interaction corrected local spin density calculations of actinides

    DEFF Research Database (Denmark)

    Petit, Leon; Svane, Axel; Szotek, Z

    2010-01-01

    We use the self-interaction corrected local spin-density approximation in order to describe localization-delocalization phenomena in the strongly correlated actinide materials. Based on total energy considerations, the methodology enables us to predict the ground-state valency configuration...... of the actinide ions in these compounds from first principles. Here we review a number of applications, ranging from electronic structure calculations of actinide metals, nitrides and carbides to the behaviour under pressure of intermetallics, and O vacancies in PuO2....

  19. Local thermodynamic mapping for effective liquid density-functional theory

    Science.gov (United States)

    Kyrlidis, Agathagelos; Brown, Robert A.

    1992-01-01

    The structural-mapping approximation introduced by Lutsko and Baus (1990) in the generalized effective-liquid approximation is extended to include a local thermodynamic mapping based on a spatially dependent effective density for approximating the solid phase in terms of the uniform liquid. This latter approximation, called the local generalized effective-liquid approximation (LGELA) yields excellent predictions for the free energy of hard-sphere solids and for the conditions of coexistence of a hard-sphere fcc solid with a liquid. Moreover, the predicted free energy remains single valued for calculations with more loosely packed crystalline structures, such as the diamond lattice. The spatial dependence of the weighted density makes the LGELA useful in the study of inhomogeneous solids.

  20. Simplified local density model for adsorption over large pressure ranges

    International Nuclear Information System (INIS)

    Rangarajan, B.; Lira, C.T.; Subramanian, R.

    1995-01-01

    Physical adsorption of high-pressure fluids onto solids is of interest in the transportation and storage of fuel and radioactive gases; the separation and purification of lower hydrocarbons; solid-phase extractions; adsorbent regenerations using supercritical fluids; supercritical fluid chromatography; and critical point drying. A mean-field model is developed that superimposes the fluid-solid potential on a fluid equation of state to predict adsorption on a flat wall from vapor, liquid, and supercritical phases. A van der Waals-type equation of state is used to represent the fluid phase, and is simplified with a local density approximation for calculating the configurational energy of the inhomogeneous fluid. The simplified local density approximation makes the model tractable for routine calculations over wide pressure ranges. The model is capable of prediction of Type 2 and 3 subcritical isotherms for adsorption on a flat wall, and shows the characteristic cusplike behavior and crossovers seen experimentally near the fluid critical point

  1. The incompressible non-relativistic Navier-Stokes equation from gravity

    International Nuclear Information System (INIS)

    Bhattacharyya, Sayantani; Minwalla, Shiraz; Wadia, Spenta R.

    2009-01-01

    We note that the equations of relativistic hydrodynamics reduce to the incompressible Navier-Stokes equations in a particular scaling limit. In this limit boundary metric fluctuations of the underlying relativistic system turn into a forcing function identical to the action of a background electromagnetic field on the effectively charged fluid. We demonstrate that special conformal symmetries of the parent relativistic theory descend to 'accelerated boost' symmetries of the Navier-Stokes equations, uncovering a conformal symmetry structure of these equations. Applying our scaling limit to holographically induced fluid dynamics, we find gravity dual descriptions of an arbitrary solution of the forced non-relativistic incompressible Navier-Stokes equations. In the holographic context we also find a simple forced steady state shear solution to the Navier-Stokes equations, and demonstrate that this solution turns unstable at high enough Reynolds numbers, indicating a possible eventual transition to turbulence.

  2. The infrared problem for the dressed non-relativistic electron in a magnetic field

    International Nuclear Information System (INIS)

    Amour, L.; Faupin, J.; Grebert, B.; Guillot, J.C.

    2008-01-01

    We consider a non-relativistic electron interacting with a classical magnetic field pointing along the x 3 -axis and with a quantized electromagnetic field. The system is translation invariant in the x 3 -direction and the corresponding Hamiltonian has a decomposition H ≅∫ R + H(P 3 )dP 3 . For a fixed momentum P 3 sufficiently small, we prove that H(P 3 ) has a ground state in the Fock representation if and only if E'(P 3 )=0, where P 3 →E'(P 3 ) is the derivative of the map P 3 →E(P 3 )=infσ(H(P 3 )). If E'(P 3 )≠0, we obtain the existence of a ground state in a non-Fock representation. This result holds for sufficiently small values of the coupling constant. (authors)

  3. Bosonization of non-relativistic fermions and W-infinity algebra

    International Nuclear Information System (INIS)

    Das, S.R.; Dhar, A.; Mandal, G.; Wadia, S.R.

    1992-01-01

    In this paper the authors discuss the bosonization of non-relativistic fermions in one-space dimension in terms of bilocal operators which are naturally related to the generators of W-infinity algebra. The resulting system is analogous to the problem of a spin in a magnetic field for the group W-infinity. The new dynamical variables turn out to be W-infinity group elements valued in the coset W-infinity/H where H is a Cartan subalgebra. A classical action with an H gauge invariance is presented. This action is three-dimensional. It turns out to be similar to the action that describes the color degrees of freedom of a Yang-Mills particle in a fixed external field. The authors also discuss the relation of this action with the one recently arrived at in the Euclidean continuation of the theory using different coordinates

  4. Non-relativistic fermions, coadjoint orbits of W∞ and string field theory at c=1

    International Nuclear Information System (INIS)

    Dhar, A.; Mandal, G.; Wadia, S.R.

    1992-01-01

    In this paper, the authors apply the method of coadjoint orbits of W ∞ -algebra to the problem of non-relativistic fermions in one dimension. This leads to a geometric formulation of the quantum theory in terms of the quantum phase space distribution of the Fermi fluid. The action has an infinite series of expansion in the string coupling, which to leading order reduces to the previously discussed geometric action for the classical Fermi fluid based on the group w ∞ of area-preserving diffeomorphisms. The authors briefly discuss the strong coupling limit of the string theory which, unlike the weak coupling regime, does not seem to admit a two-dimensional space-time picture. The authors' methods are equally applicable to interacting fermions in one dimension

  5. Duality of two-point functions for confined non-relativistic quark-antiquark systems

    International Nuclear Information System (INIS)

    Fishbane, P.M.; Gasiorowicz, S.G.; Kaus, P.

    1985-01-01

    An analog to the scattering matrix describes the spectrum and high-energy behavior of confined systems. We show that for non-relativistic systems this S-matrix is identical to a two-point function which transparently describes the bound states for all angular momenta. Confined systems can thus be described in a dual fashion. This result makes it possible to study the modification of linear trajectories (originating in a long-range confining potential) due to short range forces which are unknown except for the way in which they modify the asymptotic behavior of the two point function. A type of effective range expansion is one way to calculate the energy shifts. 9 refs

  6. Local thermodynamic equilibrium in rapidly heated high energy density plasmas

    International Nuclear Information System (INIS)

    Aslanyan, V.; Tallents, G. J.

    2014-01-01

    Emission spectra and the dynamics of high energy density plasmas created by optical and Free Electron Lasers (FELs) depend on the populations of atomic levels. Calculations of plasma emission and ionization may be simplified by assuming Local Thermodynamic Equilibrium (LTE), where populations are given by the Saha-Boltzmann equation. LTE can be achieved at high densities when collisional processes are much more significant than radiative processes, but may not be valid if plasma conditions change rapidly. A collisional-radiative model has been used to calculate the times taken by carbon and iron plasmas to reach LTE at varying densities and heating rates. The effect of different energy deposition methods, as well as Ionization Potential Depression are explored. This work shows regimes in rapidly changing plasmas, such as those created by optical lasers and FELs, where the use of LTE is justified, because timescales for plasma changes are significantly longer than the times needed to achieve an LTE ionization balance

  7. Local density approximation for a perturbative equation of state

    International Nuclear Information System (INIS)

    Astrakharchik, G. E.

    2005-01-01

    Knowledge of a series expansion of the equation of state provides a deep insight into the physical nature of a quantum system. Starting from a generic 'perturbative' equation of state of a homogeneous ultracold gas we make predictions for the properties of the gas in the presence of harmonic confinement. The local density approximation is used to obtain the chemical potential, total and release energies, Thomas-Fermi size, and density profile of a trapped system in three-, two-, and one-dimensional geometries. The frequencies of the lowest breathing modes are calculated using scaling and sum-rule approaches and could be used in an experiment as a high-precision tool for obtaining the expansion terms of the equation of state. The derived formalism is applied to dilute Bose and Fermi gases in different dimensions and to integrable one-dimensional models. The physical meaning of the expansion terms in a number of systems is discussed

  8. Giant monopole transition densities within the local scale ATDHF approach

    International Nuclear Information System (INIS)

    Dimitrova, S.S.; Petkov, I.Zh.; Stoitsov, M.V.

    1986-01-01

    Transition densities for 12 C, 16 O, 28 Si, 32 S, 40 Ca, 48 Ca, 56 Ni, 90 Zr, 208 Pb even-even nuclei corresponding to nuclear glant monopole resonances obtained within a local-scale adiabatic time-dependent Hartree-Fook approach in terms of effective Skyrme-type forces SkM and S3. The approach, the particular form and all necessary coefficients of these transition densities are reported. They are of a simple analytical form and may be directly used for example in analyses of particle inelastic scattering on nuclei by distorted wave method and a such a way allowing a test of the theoretical interpretation of giant monopole resonances

  9. The local density of optical states of a metasurface

    Science.gov (United States)

    Lunnemann, Per; Koenderink, A. Femius

    2016-02-01

    While metamaterials are often desirable for near-field functions, such as perfect lensing, or cloaking, they are often quantified by their response to plane waves from the far field. Here, we present a theoretical analysis of the local density of states near lattices of discrete magnetic scatterers, i.e., the response to near field excitation by a point source. Based on a pointdipole theory using Ewald summation and an array scanning method, we can swiftly and semi-analytically evaluate the local density of states (LDOS) for magnetoelectric point sources in front of an infinite two-dimensional (2D) lattice composed of arbitrary magnetoelectric dipole scatterers. The method takes into account radiation damping as well as all retarded electrodynamic interactions in a self-consistent manner. We show that a lattice of magnetic scatterers evidences characteristic Drexhage oscillations. However, the oscillations are phase shifted relative to the electrically scattering lattice consistent with the difference expected for reflection off homogeneous magnetic respectively electric mirrors. Furthermore, we identify in which source-surface separation regimes the metasurface may be treated as a homogeneous interface, and in which homogenization fails. A strong frequency and in-plane position dependence of the LDOS close to the lattice reveals coupling to guided modes supported by the lattice.

  10. Accuracy of the Hartree-Fock and local density approximations for electron densities: a study for light atoms

    International Nuclear Information System (INIS)

    Almbladh, C.-O.; Ekenberg, U.; Pedroza, A.C.

    1983-01-01

    The authors compare the electron densities and Hartree potentials in the local density and the Hartree-Fock approximations to the corresponding quantities obtained from more accurate correlated wavefunctions. The comparison is made for a number of two-electron atoms, Li, and for Be. The Hartree-Fock approximation is more accurate than the local density approximation within the 1s shell and for the spin polarization in Li, while the local density approximation is slightly better than the Hartree-Fock approximation for charge densities in the 2s shell. The inaccuracy of the Hartree-Fock and local density approximations to the Hartree potential is substantially smaller than the inaccuracy of the local density approximation to the ground-state exchange-correlation potential. (Auth.)

  11. Global and local curvature in density functional theory.

    Science.gov (United States)

    Zhao, Qing; Ioannidis, Efthymios I; Kulik, Heather J

    2016-08-07

    Piecewise linearity of the energy with respect to fractional electron removal or addition is a requirement of an electronic structure method that necessitates the presence of a derivative discontinuity at integer electron occupation. Semi-local exchange-correlation (xc) approximations within density functional theory (DFT) fail to reproduce this behavior, giving rise to deviations from linearity with a convex global curvature that is evidence of many-electron, self-interaction error and electron delocalization. Popular functional tuning strategies focus on reproducing piecewise linearity, especially to improve predictions of optical properties. In a divergent approach, Hubbard U-augmented DFT (i.e., DFT+U) treats self-interaction errors by reducing the local curvature of the energy with respect to electron removal or addition from one localized subshell to the surrounding system. Although it has been suggested that DFT+U should simultaneously alleviate global and local curvature in the atomic limit, no detailed study on real systems has been carried out to probe the validity of this statement. In this work, we show when DFT+U should minimize deviations from linearity and demonstrate that a "+U" correction will never worsen the deviation from linearity of the underlying xc approximation. However, we explain varying degrees of efficiency of the approach over 27 octahedral transition metal complexes with respect to transition metal (Sc-Cu) and ligand strength (CO, NH3, and H2O) and investigate select pathological cases where the delocalization error is invisible to DFT+U within an atomic projection framework. Finally, we demonstrate that the global and local curvatures represent different quantities that show opposing behavior with increasing ligand field strength, and we identify where these two may still coincide.

  12. Modeling the Physics of Sliding Objects on Rotating Space Elevators and Other Non-relativistic Strings

    Science.gov (United States)

    Golubovic, Leonardo; Knudsen, Steven

    2017-01-01

    We consider general problem of modeling the dynamics of objects sliding on moving strings. We introduce a powerful computational algorithm that can be used to investigate the dynamics of objects sliding along non-relativistic strings. We use the algorithm to numerically explore fundamental physics of sliding climbers on a unique class of dynamical systems, Rotating Space Elevators (RSE). Objects sliding along RSE strings do not require internal engines or propulsion to be transported from the Earth's surface into outer space. By extensive numerical simulations, we find that sliding climbers may display interesting non-linear dynamics exhibiting both quasi-periodic and chaotic states of motion. While our main interest in this study is in the climber dynamics on RSEs, our results for the dynamics of sliding object are of more general interest. In particular, we designed tools capable of dealing with strongly nonlinear phenomena involving moving strings of any kind, such as the chaotic dynamics of sliding climbers observed in our simulations.

  13. Non-relativistic correspondence of Dirac equation with external electromagnetic field and space-time torsion

    International Nuclear Information System (INIS)

    Goncalves, Bruno; Dias Junior, Mario Marcio

    2013-01-01

    Full text: The discussion of experimental manifestations of torsion at low energies is mainly related to the torsion-spin interaction. In this respect the behavior of Dirac field and the spinning particle in an external torsion field deserves and received very special attention. In this work, we consider the combined action of torsion and magnetic field on the massive spinor field. In this case, the Dirac equation is not straightforward solved. We suppose that the spinor has two components. The equations have mixed terms between the two components. The electromagnetic field is introduced in the action by the usual gauge transformation. The torsion field is described by the field S μ . The main purpose of the work is to get an explicit form to the equation of motion that shows the possible interactions between the external fields and the spinor in a Hamiltonian that is independent to each component. We consider that S 0 is constant and is the unique non-vanishing term of S μ . This simplification is taken just to simplify the algebra, as our main point is not to describe the torsion field itself. In order to get physical analysis of the problem, we consider the non-relativistic approximation. The final result is a Hamiltonian that describes a half spin field in the presence of electromagnetic and torsion external fields. (author)

  14. Determination of electric dipole transitions in heavy quarkonia using potential non-relativistic QCD

    Science.gov (United States)

    Segovia, Jorge; Steinbeißer, Sebastian

    2018-05-01

    The electric dipole transitions {χ }bJ(1P)\\to γ \\Upsilon (1S) with J = 0, 1, 2 and {h}b(1P)\\to γ {η }b(1S) are computed using the weak-coupling version of a low-energy effective field theory named potential non-relativistic QCD (pNRQCD). In order to improve convergence and thus give firm predictions for the studied reactions, the full static potential is incorporated into the leading order Hamiltonian; moreover, we must handle properly renormalon effects and re-summation of large logarithms. The precision we reach is {k}γ 3/{(mv)}2× O({v}2), where kγ is the photon energy, m is the mass of the heavy quark and v its velocity. Our analysis separates those relativistic contributions that account for the electromagnetic interaction terms in the pNRQCD Lagrangian which are v 2 suppressed and those that account for wave function corrections of relative order v 2. Among the last ones, corrections from 1/m and 1/m2 potentials are computed, but not those coming from higher Fock states since they demand non-perturbative input and are {{{Λ }}}{{QCD}}2/{(mv)}2 or {{{Λ }}}{{QCD}}3/({m}3{v}4) suppressed, at least, in the strict weak coupling regime. These proceedings are based on the forthcoming publication [1].

  15. Area density of localization-entropy I: the case of wedge-localization

    International Nuclear Information System (INIS)

    Schroer, Bert

    2006-04-01

    Using an appropriately formulated holographic light front projection, we derive an area law for the localization-entropy caused by vacuum polarization on the horizon of a wedge region. Its area density has a simple kinematic relation to the heat bath entropy of the light front algebra. Apart from a change of parametrization the infinite light like length contribution to the light front volume factor corresponds to the short-distance divergence of the area density of the localization entropy. This correspondence is a consequence of the conformal invariance of the light front holography combined with the well-known fact that in conformality relates short to long distances. In the explicit calculation of the strength factor we use the temperature duality relation of rational chiral theories whose derivation will be briefly reviewed. We comment on the potential relevance for the understanding of Black hole entropy. (author)

  16. Localized end states in density modulated quantum wires and rings.

    Science.gov (United States)

    Gangadharaiah, Suhas; Trifunovic, Luka; Loss, Daniel

    2012-03-30

    We study finite quantum wires and rings in the presence of a charge-density wave gap induced by a periodic modulation of the chemical potential. We show that the Tamm-Shockley bound states emerging at the ends of the wire are stable against weak disorder and interactions, for discrete open chains and for continuum systems. The low-energy physics can be mapped onto the Jackiw-Rebbi equations describing massive Dirac fermions and bound end states. We treat interactions via the continuum model and show that they increase the charge gap and further localize the end states. The electrons placed in the two localized states on the opposite ends of the wire can interact via exchange interactions and this setup can be used as a double quantum dot hosting spin qubits. The existence of these states could be experimentally detected through the presence of an unusual 4π Aharonov-Bohm periodicity in the spectrum and persistent current as a function of the external flux.

  17. Studies on the quark confinement in a non-relativistic quark model

    International Nuclear Information System (INIS)

    Pfenninger, T.

    1988-01-01

    In the framework of the non-relativistic quark model we have studied several aspects of the description of the confinement by a confinement potential. A first consideration applied to the effects of the long-range color van-der-Waals forces on the nucleon-nucleon scattering. Regarding color dipole states as an additional closed channel in a dynamical and nonlocal resonating-group calculation we found a strong attraction. Additionally it was possible by means of the RGM kernels to derive an against earlier calculations improved color van-der-Waals potential in adiabatic approximation which regards correctly the internal kinetic and the confinement energy of the color octet states. This potential is not confined to large NN distances and shows asymptotically a 1/R 2 behaviour if it is based on a harmonic confinement. A further study applied to the question how far a possible vector character of the confinement, which is suggested by the elementary quark-gluon vertex, has effects on baryon properties and the NN interaction. Here it resulted that the vector confinement reacts in view of the model parameters very sensitively in the baryon properties whereas the scalar confinement did not show this dependence. In the NN scattering this vector confinement however plays a more secondary role. Because of the difficulties of the usual confinement potential with long-range color van-der-Waals forces we proposed in the last part a new potential and additional orthogonality relations for the quark wave functions in order to accomodate in the potential model to the string degrees of freedom. In scattering calculations we again studied the effects of the modification on the NN interaction. (orig./HSI) [de

  18. Non-relativistic and relativistic quantum kinetic equations in nuclear physics

    International Nuclear Information System (INIS)

    Botermans, W.M.M.

    1989-01-01

    In this thesis an attempt is made to draw up a quantummechanical tranport equation for the explicit calculation oof collision processes between two (heavy) ions, by making proper approaches of the exact equations (non-rel.: N-particles Schroedinger equation; rel.: Euler-Lagrange field equations.). An important starting point in the drag-up of the theory is the behaviour of nuclear matter in equilibrium which is determined by individual as well as collective effects. The central point in this theory is the effective interaction between two nucleons both surrounded by other nucleons. In the derivation of the tranport equations use is made of the green's function formalism as developed by Schwinger and Keldys. For the Green's function kinematic equations are drawn up and are solved by choosing a proper factorization of three- and four-particle Green's functions in terms of one- and two-particle Green's functions. The necessary boundary condition is obtained by explicitly making use of Boltzmann's assumption that colliding particles are statistically uncorrelated. Finally a transport equation is obtained in which the mean field as well as the nucleon-nucleon collisions are given by the same (medium dependent) interaction. This interaction is the non-equilibrium extension of the interaction as given in the Brueckner theory of nuclear matter. Together, kinetic equation and interaction, form a self-consistent set of equations for the case of a non-relativistic as well as for the case of a relativistic starting point. (H.W.) 148 refs.; 6 figs.; 411 schemes

  19. Relativistic and Non-Relativistic Electronic Molecular-Structure Calculations for Dimers of 4p-, 5p-, and 6p-Block Elements

    NARCIS (Netherlands)

    Hoefener, S.; Ahlrichs, R.; Knecht, S.; Visscher, L.

    2012-01-01

    We report results of non-relativistic and two-component relativistic single-reference coupled-cluster with single and double and perturbative triple excitations [CCSD(T)] treatments for the 4p-block dimers Ga

  20. Coherent density fluctuation model as a local-scale limit to ATDHF

    International Nuclear Information System (INIS)

    Antonov, A.N.; Petkov, I.Zh.; Stoitsov, M.V.

    1985-04-01

    The local scale transformation method is used for the construction of an Adiabatic Time-Dependent Hartree-Fock approach in terms of the local density distribution. The coherent density fluctuation relations of the model result in a particular case when the ''flucton'' local density is connected with the plane wave determinant model function be means of the local-scale coordinate transformation. The collective potential energy expression is obtained and its relation to the nuclear matter energy saturation curve is revealed. (author)

  1. New upper limits on the local metagalactic ionizing radiation density

    Science.gov (United States)

    Vogel, Stuart N.; Weymann, Ray; Rauch, Michael; Hamilton, Tom

    1995-01-01

    We have obtained H-alpha observations with the Maryland-Caltech Fabry-Perot Spectrometer attached to the Cassegrain focus of the 1.5 m telescope at Palomer Observatory in order to set limits on the number of ionizing photons from the local metagalactic radiation field. We have observed the SW component of the Haynes-Giovanelli cloud H I 1225+01, an intergalactic cloud which should be optimum for measuring the metagalactic flux because it is nearly opaque to ionizing photons, it does not appear to be significantly shielded from the metagalactic radiation field, and the limits on embedded or nearby ionizing sources are unusually low. For the area of the cloud with an H I column density greater than 10(exp 19)/sq cm we set a 2 sigma limit of 1.1 x 10(exp -19) ergs/sq cm/s/sq arcsec (20 mR) for the surface brightness of diffuse H-alpha. This implies a 2 sigma upper limit on the incident one-sided ionizing flux of Phi(sub ex) is less than 3 x 10(exp 4)/sq cm/s. For a radiation field of the form J(sub nu) is approximately nu(exp -1.4), this yields a firm 2 sigma upper limit on the local metagalactic photoionization rate of Gamma is less than 2 x 10(exp -13)/s, and an upper limit for the radiation field J(sub nu) at the Lyman limit of J(sub nu0) is less than 8 x 10(exp -23) ergs/sq cm/Hz/sr. We discuss previous efforts to constrain the metagalactic ionizing flux using H-alpha surface brightness observations and also other methods, and conclude that our result places the firmest upper limit on this flux. We also observed the 7 min diameter region centered on 3C 273 in which H-alpha emission at a velocity of approximately 1700 km/s was initially reported by Williams and Schommer. In agreement with T. B. Williams (private communication) we find the initial detection was spurious. We obtain a 2 sigma upper limit of 1.8 x 10(exp -19) ergs/sq cm/s/sq arcsec (32 mR) for the mean surface brightness of diffuse H-alpha, about a factor of 6 below the published value.

  2. Spontaneous photon emission from a non-relativistic free charged particle in collapse models: A case study

    International Nuclear Information System (INIS)

    Bassi, A.; Donadi, S.

    2014-01-01

    We study the photon emission rate of a non-relativistic charged particle interacting with an external classical noise through its position. Both the particle and the electromagnetic field are quantized. Under only the dipole approximation, the equations of motion can be solved exactly for a free particle, or a particle bounded by an harmonic potential. The physical quantity we will be interested in is the spectrum of the radiation emitted by the particle, due to the interaction with the noise. We will highlight several properties of the spectrum and clarify some issues appearing in the literature, regarding the exact mathematical formula of a spectrum for a free particle.

  3. On the electron density localization in elemental cubic ceramic and FCC transition metals by means of a localized electrons detector.

    Science.gov (United States)

    Aray, Yosslen; Paredes, Ricardo; Álvarez, Luis Javier; Martiz, Alejandro

    2017-06-14

    The electron density localization in insulator and semiconductor elemental cubic materials with diamond structure, carbon, silicon, germanium, and tin, and good metallic conductors with face centered cubic structure such as α-Co, Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au, was studied using a localized electrons detector defined in the local moment representation. Our results clearly show an opposite pattern of the electron density localization for the cubic ceramic and transition metal materials. It was found that, for the elemental ceramic materials, the zone of low electron localization is very small and is mainly localized on the atomic basin edges. On the contrary, for the transition metals, there are low-valued localized electrons detector isocontours defining a zone of highly delocalized electrons that extends throughout the material. We have found that the best conductors are those in which the electron density at this low-value zone is the lowest.

  4. The local quantum-mechanical stress tensor in Thomas-Fermi approximation and gradient expansion method

    International Nuclear Information System (INIS)

    Kaschner, R.; Graefenstein, J.; Ziesche, P.

    1988-12-01

    From the local momentum balance using density functional theory an expression for the local quantum-mechanical stress tensor (or stress field) σ(r) of non-relativistic Coulomb systems is found out within the Thomas-Fermi approximation and its generalizations including gradient expansion method. As an illustration the stress field σ(r) is calculated for the jellium model of the interface K-Cs, containing especially the adhesive force between the two half-space jellia. (author). 23 refs, 1 fig

  5. A local leaky-box model for the local stellar surface density-gas surface density-gas phase metallicity relation

    Science.gov (United States)

    Zhu, Guangtun Ben; Barrera-Ballesteros, Jorge K.; Heckman, Timothy M.; Zakamska, Nadia L.; Sánchez, Sebastian F.; Yan, Renbin; Brinkmann, Jonathan

    2017-07-01

    We revisit the relation between the stellar surface density, the gas surface density and the gas-phase metallicity of typical disc galaxies in the local Universe with the SDSS-IV/MaNGA survey, using the star formation rate surface density as an indicator for the gas surface density. We show that these three local parameters form a tight relationship, confirming previous works (e.g. by the PINGS and CALIFA surveys), but with a larger sample. We present a new local leaky-box model, assuming star-formation history and chemical evolution is localized except for outflowing materials. We derive closed-form solutions for the evolution of stellar surface density, gas surface density and gas-phase metallicity, and show that these parameters form a tight relation independent of initial gas density and time. We show that, with canonical values of model parameters, this predicted relation match the observed one well. In addition, we briefly describe a pathway to improving the current semi-analytic models of galaxy formation by incorporating the local leaky-box model in the cosmological context, which can potentially explain simultaneously multiple properties of Milky Way-type disc galaxies, such as the size growth and the global stellar mass-gas metallicity relation.

  6. Evaluation of macromolecular electron-density map quality using the correlation of local r.m.s. density

    International Nuclear Information System (INIS)

    Terwilliger, Thomas C.; Berendzen, Joel

    1999-01-01

    The correlation of local r.m.s. density is shown to be a good measure of the presence of distinct solvent and macromolecule regions in macromolecular electron-density maps. It has recently been shown that the standard deviation of local r.m.s. electron density is a good indicator of the presence of distinct regions of solvent and protein in macromolecular electron-density maps [Terwilliger & Berendzen (1999 ▶). Acta Cryst. D55, 501–505]. Here, it is demonstrated that a complementary measure, the correlation of local r.m.s. density in adjacent regions on the unit cell, is also a good measure of the presence of distinct solvent and protein regions. The correlation of local r.m.s. density is essentially a measure of how contiguous the solvent (and protein) regions are in the electron-density map. This statistic can be calculated in real space or in reciprocal space and has potential uses in evaluation of heavy-atom solutions in the MIR and MAD methods as well as for evaluation of trial phase sets in ab initio phasing procedures

  7. A density distribution algorithm for bone incorporating local orthotropy, modal analysis and theories of cellular solids.

    Science.gov (United States)

    Impelluso, Thomas J

    2003-06-01

    An algorithm for bone remodeling is presented which allows for both a redistribution of density and a continuous change of principal material directions for the orthotropic material properties of bone. It employs a modal analysis to add density for growth and a local effective strain based analysis to redistribute density. General re-distribution functions are presented. The model utilizes theories of cellular solids to relate density and strength. The code predicts the same general density distributions and local orthotropy as observed in reality.

  8. Local kinetic-energy density of the Airy gas

    DEFF Research Database (Denmark)

    Vitos, Levente; Johansson, B.; Kollár, J.

    2000-01-01

    The Airy gas model is used to derive an expression for the local kinetic energy in the linear potential approximation. The expression contains an explicit Laplacian term 2/5((h) over bar(2)/2m)del(mu)(2)(r) that, according to jellium surface calculations, must be a universal feature of any accura...

  9. The geometrically averaged density of states calculated from the local Green's function as a measure of localization

    International Nuclear Information System (INIS)

    Wortis, R.; Song Yun; Atkinson, W.A.

    2008-01-01

    With the goal of measuring localization in disordered interacting systems, we examine the finite-size scaling of the geometrically averaged density of states calculated from the local Green's function with finite energy resolution. Our results show that, unlike in a simple energy binning procedure, there is no limit in which the finite energy resolution is irrelevant

  10. Calculation of the local density of relic neutrinos

    Energy Technology Data Exchange (ETDEWEB)

    De Salas, P.F.; Gariazzo, S.; Pastor, S. [Instituto de Física Corpuscular (CSIC-Universitat de València), Parc Científic UV, C/ Catedrático José Beltrán, 2, E-46980 Paterna (Valencia) (Spain); Lesgourgues, J., E-mail: pabferde@ific.uv.es, E-mail: gariazzo@ific.uv.es, E-mail: Julien.Lesgourgues@physik.rwth-aachen.de, E-mail: pastor@ific.uv.es [Institute for Theoretical Particle Physics and Cosmology (TTK), RWTH Aachen University, D-52056 Aachen (Germany)

    2017-09-01

    Nonzero neutrino masses are required by the existence of flavour oscillations, with values of the order of at least 50 meV . We consider the gravitational clustering of relic neutrinos within the Milky Way, and used the N -one-body simulation technique to compute their density enhancement factor in the neighbourhood of the Earth with respect to the average cosmic density. Compared to previous similar studies, we pushed the simulation down to smaller neutrino masses, and included an improved treatment of the baryonic and dark matter distributions in the Milky Way. Our results are important for future experiments aiming at detecting the cosmic neutrino background, such as the Princeton Tritium Observatory for Light, Early-universe, Massive-neutrino Yield (PTOLEMY) proposal. We calculate the impact of neutrino clustering in the Milky Way on the expected event rate for a PTOLEMY-like experiment. We find that the effect of clustering remains negligible for the minimal normal hierarchy scenario, while it enhances the event rate by 10 to 20% (resp. a factor 1.7 to 2.5) for the minimal inverted hierarchy scenario (resp. a degenerate scenario with 150 meV masses). Finally we compute the impact on the event rate of a possible fourth sterile neutrino with a mass of 1.3 eV.

  11. Assessment of the densities of local anesthetics and their combination with adjuvants: an experimental study.

    Science.gov (United States)

    Imbelloni, Luiz Eduardo; Moreira, Adriano Dias; Gaspar, Flávia Cunha; Gouveia, Marildo A; Cordeiro, José Antônio

    2009-01-01

    The relative density of a local anesthetic in relation to that of the cerebrospinal fluid (CSF) at 37 degrees C is one of the most important physical properties that affect the level of analgesia obtained after the subarachnoid administration of the drug. The objective of this study was to determine the density of local anesthetic solutions, with and without glucose, and the combination of the local anesthetic with adjuvants at 20 degrees C, 25 degrees C, and 37 degrees C. The density (g.mL(-1)) was determined by using a DMA 450 densimeter with a sensitivity of +/- 0.00001 g.mL(-1). The densities, and variations, according to the temperature were obtained for all local anesthetics and their combination with opioids at 20 degrees C, 25 degrees C, and 37 degrees C. The solution is hyperbaric if its density exceeds 1.00099, hypobaric when its density is lower than 1.00019, and isobaric when its density is greater than 1.00019 and lower than 1.00099. The densities of both local anesthetics and adjuvants decrease with the increase in temperature. At 37 degrees C, all glucose-containing solutions are hyperbaric. In the absence of glucose, all solutions are hypobaric. At 37 degrees C, morphine, fentanyl, sufentanil, and clonidine are hypobaric. The densities of local anesthetics and adjuvants decrease with the increase in temperature and increase when glucose is added. The knowledge of the relative density helps select the most adequate local anesthetic to be administered in the subarachnoid space.

  12. Local density inhomogeneities and dynamics in supercritical water: A molecular dynamics simulation approach.

    Science.gov (United States)

    Skarmoutsos, Ioannis; Samios, Jannis

    2006-11-02

    Molecular dynamics atomistic simulations in the canonical ensemble (NVT-MD) have been used to investigate the "Local Density Inhomogeneities and their Dynamics" in pure supercritical water. The simulations were carried out along a near-critical isotherm (Tr = T/Tc = 1.03) and for a wide range of densities below and above the critical one (0.2 rho(c) - 2.0 rho(c)). The results obtained reveal the existence of significant local density augmentation effects, which are found to be sufficiently larger in comparison to those reported for nonassociated fluids. The time evolution of the local density distribution around each molecule was studied in terms of the appropriate time correlation functions C(Delta)rhol(t). It is found that the shape of these functions changes significantly by increasing the density of the fluid. Finally, the local density reorganization times for the first and second coordination shell derived from these correlations exhibit a decreasing behavior by increasing the density of the system, signifying the density effect upon the dynamics of the local environment around each molecule.

  13. Relativistic and Non-Relativistic Electronic Molecular-Structure Calculations for Dimers of 4p-, 5p-, and 6p-Block Elements

    DEFF Research Database (Denmark)

    Hofener, S.; Ahlrichs, R.; Knecht, S.

    2012-01-01

    We report results of non-relativistic and two-component relativistic single-reference coupled-cluster with single and double and perturbative triple excitations [CCSD(T)] treatments for the 4p-block dimers Ga2 to Br2, the 5p-block dimers In2 to I2, and their atoms. Extended basis sets up...

  14. Local density measurement of additive manufactured copper parts by instrumented indentation

    Science.gov (United States)

    Santo, Loredana; Quadrini, Fabrizio; Bellisario, Denise; Tedde, Giovanni Matteo; Zarcone, Mariano; Di Domenico, Gildo; D'Angelo, Pierpaolo; Corona, Diego

    2018-05-01

    Instrumented flat indentation has been used to evaluate local density of additive manufactured (AM) copper samples with different relative density. Indentations were made by using tungsten carbide (WC) flat pins with 1 mm diameter. Pure copper powders were used in a selective laser melting (SLM) machine to produce samples to test. By changing process parameters, samples density was changed from the relative density of 63% to 71%. Indentation tests were performed on the xy surface of the AM samples. In order to make a correlation between indentation test results and sample density, the indentation pressure at fixed displacement was selected. Results show that instrumented indentation is a valid technique to measure density distribution along the geometry of an SLM part. In fact, a linear trend between indentation pressure and sample density was found for the selected density range.

  15. Geometry optimization of molecules within an LCGTO local-density functional approach

    International Nuclear Information System (INIS)

    Mintmire, J.W.

    1990-01-01

    We describe our implementation of geometry optimization techniques within the linear combination of Gaussian-type orbitals (LCGTO) approach to local-density functional theory. The algorithm for geometry optimization is based on the evaluation of the gradient of the total energy with respect to internal coordinates within the local-density functional scheme. We present optimization results for a range of small molecules which serve as test cases for our approach

  16. Dynamics of Spontaneous Emission Controlled by Local Density of States in Photonic Crystals

    DEFF Research Database (Denmark)

    Lodahl, Peter; Nikolaev, Ivan S.; van Driel, A. Floris

    2006-01-01

    We have measured time-resolved spontaneous emission from quantum dots in 3D photonic crystals. Due to the spatially dependent local density of states, the distribution of decay rates varies strongly with the photonic crystal lattice parameter.......We have measured time-resolved spontaneous emission from quantum dots in 3D photonic crystals. Due to the spatially dependent local density of states, the distribution of decay rates varies strongly with the photonic crystal lattice parameter....

  17. Variational and robust density fitting of four-center two-electron integrals in local metrics

    Science.gov (United States)

    Reine, Simen; Tellgren, Erik; Krapp, Andreas; Kjærgaard, Thomas; Helgaker, Trygve; Jansik, Branislav; Høst, Stinne; Salek, Paweł

    2008-09-01

    Density fitting is an important method for speeding up quantum-chemical calculations. Linear-scaling developments in Hartree-Fock and density-functional theories have highlighted the need for linear-scaling density-fitting schemes. In this paper, we present a robust variational density-fitting scheme that allows for solving the fitting equations in local metrics instead of the traditional Coulomb metric, as required for linear scaling. Results of fitting four-center two-electron integrals in the overlap and the attenuated Gaussian damped Coulomb metric are presented, and we conclude that density fitting can be performed in local metrics at little loss of chemical accuracy. We further propose to use this theory in linear-scaling density-fitting developments.

  18. ALTERNATIVE METHODOLOGIES FOR THE ESTIMATION OF LOCAL POINT DENSITY INDEX: MOVING TOWARDS ADAPTIVE LIDAR DATA PROCESSING

    Directory of Open Access Journals (Sweden)

    Z. Lari

    2012-07-01

    Full Text Available Over the past few years, LiDAR systems have been established as a leading technology for the acquisition of high density point clouds over physical surfaces. These point clouds will be processed for the extraction of geo-spatial information. Local point density is one of the most important properties of the point cloud that highly affects the performance of data processing techniques and the quality of extracted information from these data. Therefore, it is necessary to define a standard methodology for the estimation of local point density indices to be considered for the precise processing of LiDAR data. Current definitions of local point density indices, which only consider the 2D neighbourhood of individual points, are not appropriate for 3D LiDAR data and cannot be applied for laser scans from different platforms. In order to resolve the drawbacks of these methods, this paper proposes several approaches for the estimation of the local point density index which take the 3D relationship among the points and the physical properties of the surfaces they belong to into account. In the simplest approach, an approximate value of the local point density for each point is defined while considering the 3D relationship among the points. In the other approaches, the local point density is estimated by considering the 3D neighbourhood of the point in question and the physical properties of the surface which encloses this point. The physical properties of the surfaces enclosing the LiDAR points are assessed through eigen-value analysis of the 3D neighbourhood of individual points and adaptive cylinder methods. This paper will discuss these approaches and highlight their impact on various LiDAR data processing activities (i.e., neighbourhood definition, region growing, segmentation, boundary detection, and classification. Experimental results from airborne and terrestrial LiDAR data verify the efficacy of considering local point density variation for

  19. Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density

    Science.gov (United States)

    Seino, Junji; Kageyama, Ryo; Fujinami, Mikito; Ikabata, Yasuhiro; Nakai, Hiromi

    2018-06-01

    A semi-local kinetic energy density functional (KEDF) was constructed based on machine learning (ML). The present scheme adopts electron densities and their gradients up to third-order as the explanatory variables for ML and the Kohn-Sham (KS) kinetic energy density as the response variable in atoms and molecules. Numerical assessments of the present scheme were performed in atomic and molecular systems, including first- and second-period elements. The results of 37 conventional KEDFs with explicit formulae were also compared with those of the ML KEDF with an implicit formula. The inclusion of the higher order gradients reduces the deviation of the total kinetic energies from the KS calculations in a stepwise manner. Furthermore, our scheme with the third-order gradient resulted in the closest kinetic energies to the KS calculations out of the presented functionals.

  20. Conversion of localized lower hybrid oscillations and fast magnetosonic waves at a plasma density cavity

    International Nuclear Information System (INIS)

    Hall, J.O.

    2004-01-01

    Analytic expressions are presented for conversion of localized lower hybrid oscillations and magnetosonic waves by scattering off a small scale density cavity. The governing equations are solved in slab geometry with wave vectors perpendicular to both the ambient magnetic field and the density gradient associated with density cavity using a scale length separation method. The theory predicts strong excitation of localized lower hybrid oscillations for a set of frequencies between the lower hybrid frequency of the ambient plasma and the minimum lower hybrid frequency inside the cavity. The theory is relevant for the lower hybrid solitary structures observed in space plasmas

  1. The infrared problem for the dressed non-relativistic electron in a magnetic field; Le probleme infrarouge pour l'electron habille non relativiste dans un champ magnetique

    Energy Technology Data Exchange (ETDEWEB)

    Amour, L. [Reims Univ., Lab. de Mathematiques EDPPM, FRE-CNRS 3111, 51 (France); Faupin, J. [Aarhus Univ., Institut for Matematiske Fag (Denmark); Grebert, B. [Nantes Univ, Lab. de Mathematiques Jean-Leray, UMR-CNRS 6629 (France); Guillot, J.C. [Ecole Polytechnique, Centre de Mathematiques Appliquees, UMR-CNRS 7641, 91 - Palaiseau (France)

    2008-10-15

    We consider a non-relativistic electron interacting with a classical magnetic field pointing along the x{sub 3}-axis and with a quantized electromagnetic field. The system is translation invariant in the x{sub 3}-direction and the corresponding Hamiltonian has a decomposition H {approx_equal}{integral}{sub R}{sup +}H(P{sub 3})dP{sub 3}. For a fixed momentum P{sub 3} sufficiently small, we prove that H(P{sub 3}) has a ground state in the Fock representation if and only if E'(P{sub 3})=0, where P{sub 3} {yields}E'(P{sub 3}) is the derivative of the map P{sub 3}{yields}E(P{sub 3})=inf{sigma}(H(P{sub 3})). If E'(P{sub 3}){ne}0, we obtain the existence of a ground state in a non-Fock representation. This result holds for sufficiently small values of the coupling constant. (authors)

  2. Local density regulates migratory songbird reproductive success through effects on double-brooding and nest predation.

    Science.gov (United States)

    Woodworth, Bradley K; Wheelwright, Nathaniel T; Newman, Amy E M; Norris, D Ryan

    2017-08-01

    Knowledge of the density-dependent processes that regulate animal populations is key to understanding, predicting, and conserving populations. In migratory birds, density-dependence is most often studied during the breeding season, yet we still lack a robust understanding of the reproductive traits through which density influences individual reproductive success. We used 27-yr of detailed, individual-level productivity data from an island-breeding population of Savannah sparrows Passerculus sandwichensis to evaluate effects of local and total annual population density on female reproductive success. Local density (number of neighbors within 50 m of a female's nest) had stronger effects on the number of young fledged than did total annual population density. Females nesting in areas of high local density were more likely to suffer nest predation and less likely to initiate and fledge a second clutch, which led to fewer young fledged in a season. Fledging fewer young subsequently decreased the likelihood of a female recruiting offspring into the breeding population in a subsequent year. Collectively, these results provide insight into the scale and reproductive mechanisms mediating density-dependent reproductive success and fitness in songbirds. © 2017 by the Ecological Society of America.

  3. Non-relativistic electron transport in metals: a Monte Carlo approach

    International Nuclear Information System (INIS)

    Rahimi, F.; Ghal eh, N.

    2001-01-01

    A simple Monte Carlo procedure is described for simulating the multiple scattering and absorption of electrons with the incident energy in the range 1-50 keV moving through a slab of uniformly distributed material of given atomic number, density and thickness. The simulation is based on a screened Rutherford cross-section and Bethe continuous energy-loss equation. A FORTRAN program is written to determine backscattering, transmission and absorption coefficients, providing the user with a graphical output of the electron trajectories. The results of several simulations are presented by using various numbers of electrons, showing a good agreement with the experiment. The program is used to analyze the relation between the energy and the range of electron in the slab, the backscattering, absorption, transmission coefficients and the angular distribution

  4. Momentum and charge transport in non-relativistic holographic fluids from Hořava gravity

    Energy Technology Data Exchange (ETDEWEB)

    Davison, Richard A. [Department of Physics, Harvard University, Cambridge, MA 02138 (United States); Grozdanov, Sašo [Instituut-Lorentz for Theoretical Physics, Leiden University, Niels Bohrweg 2, Leiden 2333 CA (Netherlands); Janiszewski, Stefan [Department of Physics and Astronomy, University of Victoria, Victoria, BC, V8W 3P6 (Canada); Kaminski, Matthias [Department of Physics and Astronomy, University of Alabama, Tuscaloosa, AL 35487 (United States)

    2016-11-28

    We study the linearized transport of transverse momentum and charge in a conjectured field theory dual to a black brane solution of Hořava gravity with Lifshitz exponent z=1. As expected from general hydrodynamic reasoning, we find that both of these quantities are diffusive over distance and time scales larger than the inverse temperature. We compute the diffusion constants and conductivities of transverse momentum and charge, as well the ratio of shear viscosity to entropy density, and find that they differ from their relativistic counterparts. To derive these results, we propose how the holographic dictionary should be modified to deal with the multiple horizons and differing propagation speeds of bulk excitations in Hořava gravity. When possible, as a check on our methods and results, we use the covariant Einstein-Aether formulation of Hořava gravity, along with field redefinitions, to re-derive our results from a relativistic bulk theory.

  5. Towards improved local hybrid functionals by calibration of exchange-energy densities

    International Nuclear Information System (INIS)

    Arbuznikov, Alexei V.; Kaupp, Martin

    2014-01-01

    A new approach for the calibration of (semi-)local and exact exchange-energy densities in the context of local hybrid functionals is reported. The calibration functions are derived from only the electron density and its spatial derivatives, avoiding spatial derivatives of the exact-exchange energy density or other computationally unfavorable contributions. The calibration functions fulfill the seven more important out of nine known exact constraints. It is shown that calibration improves substantially the definition of a non-dynamical correlation energy term for generalized gradient approximation (GGA)-based local hybrids. Moreover, gauge artifacts in the potential-energy curves of noble-gas dimers may be corrected by calibration. The developed calibration functions are then evaluated for a large range of energy-related properties (atomization energies, reaction barriers, ionization potentials, electron affinities, and total atomic energies) of three sets of local hybrids, using a simple one-parameter local-mixing. The functionals are based on (a) local spin-density approximation (LSDA) or (b) Perdew-Burke-Ernzerhof (PBE) exchange and correlation, and on (c) Becke-88 (B88) exchange and Lee-Yang-Parr (LYP) correlation. While the uncalibrated GGA-based functionals usually provide very poor thermochemical data, calibration allows a dramatic improvement, accompanied by only a small deterioration of reaction barriers. In particular, an optimized BLYP-based local-hybrid functional has been found that is a substantial improvement over the underlying global hybrids, as well as over previously reported LSDA-based local hybrids. It is expected that the present calibration approach will pave the way towards new generations of more accurate hyper-GGA functionals based on a local mixing of exchange-energy densities

  6. Parametric study of non-relativistic electrostatic shocks and the structure of their transition layer

    Energy Technology Data Exchange (ETDEWEB)

    Dieckmann, M. E. [Institute of Physics and Astronomy, University of Potsdam, D-14476 Potsdam (Germany); Department of Science and Technology, Linkoeping University, SE-60174 Norrkoeping (Sweden); Ahmed, H.; Sarri, G.; Doria, D.; Kourakis, I.; Borghesi, M. [Centre for Plasma Physics, School of Mathematics and Physics, Queen' s University of Belfast, Belfast BT7 1NN (United Kingdom); Romagnani, L. [LULI, Ecole Polytechnique, CNRS, CEA, UPMC, 91128 Palaiseau (France); Pohl, M. [Institute of Physics and Astronomy, University of Potsdam, D-14476 Potsdam (Germany); DESY, D-15738 Zeuthen (Germany)

    2013-04-15

    Nonrelativistic electrostatic unmagnetized shocks are frequently observed in laboratory plasmas and they are likely to exist in astrophysical plasmas. Their maximum speed, expressed in units of the ion acoustic speed far upstream of the shock, depends only on the electron-to-ion temperature ratio if binary collisions are absent. The formation and evolution of such shocks is examined here for a wide range of shock speeds with particle-in-cell simulations. The initial temperatures of the electrons and the 400 times heavier ions are equal. Shocks form on electron time scales at Mach numbers between 1.7 and 2.2. Shocks with Mach numbers up to 2.5 form after tens of inverse ion plasma frequencies. The density of the shock-reflected ion beam increases and the number of ions crossing the shock thus decreases with an increasing Mach number, causing a slower expansion of the downstream region in its rest frame. The interval occupied by this ion beam is on a positive potential relative to the far upstream. This potential pre-heats the electrons ahead of the shock even in the absence of beam instabilities and decouples the electron temperature in the foreshock ahead of the shock from the one in the far upstream plasma. The effective Mach number of the shock is reduced by this electron heating. This effect can potentially stabilize nonrelativistic electrostatic shocks moving as fast as supernova remnant shocks.

  7. Parametric study of non-relativistic electrostatic shocks and the structure of their transition layer

    International Nuclear Information System (INIS)

    Dieckmann, M. E.; Ahmed, H.; Sarri, G.; Doria, D.; Kourakis, I.; Borghesi, M.; Romagnani, L.; Pohl, M.

    2013-01-01

    Nonrelativistic electrostatic unmagnetized shocks are frequently observed in laboratory plasmas and they are likely to exist in astrophysical plasmas. Their maximum speed, expressed in units of the ion acoustic speed far upstream of the shock, depends only on the electron-to-ion temperature ratio if binary collisions are absent. The formation and evolution of such shocks is examined here for a wide range of shock speeds with particle-in-cell simulations. The initial temperatures of the electrons and the 400 times heavier ions are equal. Shocks form on electron time scales at Mach numbers between 1.7 and 2.2. Shocks with Mach numbers up to 2.5 form after tens of inverse ion plasma frequencies. The density of the shock-reflected ion beam increases and the number of ions crossing the shock thus decreases with an increasing Mach number, causing a slower expansion of the downstream region in its rest frame. The interval occupied by this ion beam is on a positive potential relative to the far upstream. This potential pre-heats the electrons ahead of the shock even in the absence of beam instabilities and decouples the electron temperature in the foreshock ahead of the shock from the one in the far upstream plasma. The effective Mach number of the shock is reduced by this electron heating. This effect can potentially stabilize nonrelativistic electrostatic shocks moving as fast as supernova remnant shocks.

  8. Conformal symmetry and non-relativistic second-order fluid dynamics

    International Nuclear Information System (INIS)

    Chao Jingyi; Schäfer, Thomas

    2012-01-01

    We study the constraints imposed by conformal symmetry on the equations of fluid dynamics at second order in the gradients of the hydrodynamic variables. At zeroth order, conformal symmetry implies a constraint on the equation of state, E 0 =2/3 P, where E 0 is the energy density and P is the pressure. At first order, conformal symmetry implies that the bulk viscosity must vanish. We show that at second order, conformal invariance requires that two-derivative terms in the stress tensor must be traceless, and that it determines the relaxation of dissipative stresses to the Navier–Stokes form. We verify these results by solving the Boltzmann equation at second order in the gradient expansion. We find that only a subset of the terms allowed by conformal symmetry appear. - Highlights: ► We derive conformal constraints for the stress tensor of a scale invariant fluid. ► We determine the relaxation time in kinetic theory. ► We compute the rate of entropy production in second-order fluid dynamics.

  9. The classical field limit of scattering theory for non-relativistic many-boson systems. Pt. 1

    International Nuclear Information System (INIS)

    Ginibre, J.

    1979-01-01

    We study the classical field limit of non-relativistic many-boson theories in space dimension n >= 3. When h → 0, the correlation functions, which are the averages of products of bounded functions of field operators at different times taken in suitable states, converge to the corresponding functions of the appropriate solutions of the classical field equation, and the quantum fluctuations, are described by the equation obtained by linearizing the field equation around the classical solution. These properties were proved by Hepp for suitably regular potentials and in finite time intervals. Using a general theory of existence of global solutions and a general scattering theory for the clasical equation, we extend these results in two directions: (1) we consider more singular potentials, (2) more imortant, we prove that for dispersive classical solutions, the h → 0 limit is uniform in time in an appropriate representation of the field operators. As a consequence we obtain the convergence of suitable matrix elements of the wave operators and, if asymptotic completeness holds, of the S-matrix. (orig.) [de

  10. Local and linear chemical reactivity response functions at finite temperature in density functional theory

    International Nuclear Information System (INIS)

    Franco-Pérez, Marco; Ayers, Paul W.; Gázquez, José L.; Vela, Alberto

    2015-01-01

    We explore the local and nonlocal response functions of the grand canonical potential density functional at nonzero temperature. In analogy to the zero-temperature treatment, local (e.g., the average electron density and the local softness) and nonlocal (e.g., the softness kernel) intrinsic response functions are defined as partial derivatives of the grand canonical potential with respect to its thermodynamic variables (i.e., the chemical potential of the electron reservoir and the external potential generated by the atomic nuclei). To define the local and nonlocal response functions of the electron density (e.g., the Fukui function, the linear density response function, and the dual descriptor), we differentiate with respect to the average electron number and the external potential. The well-known mathematical relationships between the intrinsic response functions and the electron-density responses are generalized to nonzero temperature, and we prove that in the zero-temperature limit, our results recover well-known identities from the density functional theory of chemical reactivity. Specific working equations and numerical results are provided for the 3-state ensemble model

  11. Total-energy Assisted Tight-binding Method Based on Local Density Approximation of Density Functional Theory

    Science.gov (United States)

    Fujiwara, Takeo; Nishino, Shinya; Yamamoto, Susumu; Suzuki, Takashi; Ikeda, Minoru; Ohtani, Yasuaki

    2018-06-01

    A novel tight-binding method is developed, based on the extended Hückel approximation and charge self-consistency, with referring the band structure and the total energy of the local density approximation of the density functional theory. The parameters are so adjusted by computer that the result reproduces the band structure and the total energy, and the algorithm for determining parameters is established. The set of determined parameters is applicable to a variety of crystalline compounds and change of lattice constants, and, in other words, it is transferable. Examples are demonstrated for Si crystals of several crystalline structures varying lattice constants. Since the set of parameters is transferable, the present tight-binding method may be applicable also to molecular dynamics simulations of large-scale systems and long-time dynamical processes.

  12. RECONSTRUCTING THE INITIAL DENSITY FIELD OF THE LOCAL UNIVERSE: METHODS AND TESTS WITH MOCK CATALOGS

    International Nuclear Information System (INIS)

    Wang Huiyuan; Mo, H. J.; Yang Xiaohu; Van den Bosch, Frank C.

    2013-01-01

    Our research objective in this paper is to reconstruct an initial linear density field, which follows the multivariate Gaussian distribution with variances given by the linear power spectrum of the current cold dark matter model and evolves through gravitational instabilities to the present-day density field in the local universe. For this purpose, we develop a Hamiltonian Markov Chain Monte Carlo method to obtain the linear density field from a posterior probability function that consists of two components: a prior of a Gaussian density field with a given linear spectrum and a likelihood term that is given by the current density field. The present-day density field can be reconstructed from galaxy groups using the method developed in Wang et al. Using a realistic mock Sloan Digital Sky Survey DR7, obtained by populating dark matter halos in the Millennium simulation (MS) with galaxies, we show that our method can effectively and accurately recover both the amplitudes and phases of the initial, linear density field. To examine the accuracy of our method, we use N-body simulations to evolve these reconstructed initial conditions to the present day. The resimulated density field thus obtained accurately matches the original density field of the MS in the density range 0.3∼ –1 , much smaller than the translinear scale, which corresponds to a wavenumber of ∼0.15 h Mpc –1

  13. Wigner-like crystallization of Anderson-localized electron systems with low electron densities

    CERN Document Server

    Slutskin, A A; Pepper, M

    2002-01-01

    We consider an electron system under conditions of strong Anderson localization, taking into account interelectron long-range Coulomb repulsion. We establish that at sufficiently low electron densities and sufficiently low temperatures the Coulomb electron interaction brings about ordering of the Anderson-localized electrons into a structure that is close to an ideal (Wigner) crystal lattice, provided the dimension of the system is > 1. This Anderson-Wigner glass (AWG) is a new macroscopic electron state that, on the one hand, is beyond the conventional Fermi glass concept, and on the other hand, qualitatively differs from the known 'plain' Wigner glass (inherent in self-localized electron systems) in that the random slight electron displacements from the ideal crystal sites essentially depend on the electron density. With increasing electron density the AWG is found to turn into the plain Wigner glass or Fermi glass, depending on the width of the random spread of the electron levels. It is shown that the res...

  14. Self-consistent-field calculations of atoms and ions using a modified local-density approximation

    International Nuclear Information System (INIS)

    Liberman, D.A.; Albritton, J.R.; Wilson, B.G.; Alley, W.E.

    1994-01-01

    Local-density-approximation calculations of atomic structure are useful for the description of atoms and ions in plasmas. The large number of different atomic configurations that exist in typical plasmas leads one to consider the expression of total energies in terms of a Taylor series in the orbital occupation numbers. Two schemes for computing the second derivative Taylor-series coefficients are given; the second, and better one, uses the linear response method developed by Zangwill and Soven [Phys. Rev. A 21, 1561 (1980)] for the calculation of optical response in atoms. A defect in the local-density approximation causes some second derivatives involving Rydberg orbitals to be infinite. This is corrected by using a modified local-density approximation that had previously been proposed [Phys. Rev. B 2, 244 (1970)

  15. The anisotropy of the cosmic background radiation from local dynamic density perturbations

    International Nuclear Information System (INIS)

    Dyer, C.C.; Ip, P.S.S.

    1988-01-01

    Contrary to the usual assumption, it is shown here that the anisotropy of the cosmic background radiation need not be dominated by perturbations at the last scattering surface. The results of computer simulations are shown in which local dynamic density perturbations, in the form of Swiss cheese holes with finite, uniform density central lumps, are the main source of anisotropy of the cosmic background radiation. (author)

  16. Local relative density modulates failure and strength in vertically aligned carbon nanotubes.

    Science.gov (United States)

    Pathak, Siddhartha; Mohan, Nisha; Decolvenaere, Elizabeth; Needleman, Alan; Bedewy, Mostafa; Hart, A John; Greer, Julia R

    2013-10-22

    Micromechanical experiments, image analysis, and theoretical modeling revealed that local failure events and compressive stresses of vertically aligned carbon nanotubes (VACNTs) were uniquely linked to relative density gradients. Edge detection analysis of systematically obtained scanning electron micrographs was used to quantify a microstructural figure-of-merit related to relative local density along VACNT heights. Sequential bottom-to-top buckling and hardening in stress-strain response were observed in samples with smaller relative density at the bottom. When density gradient was insubstantial or reversed, bottom regions always buckled last, and a flat stress plateau was obtained. These findings were consistent with predictions of a 2D material model based on a viscoplastic solid with plastic non-normality and a hardening-softening-hardening plastic flow relation. The hardening slope in compression generated by the model was directly related to the stiffness gradient along the sample height, and hence to the local relative density. These results demonstrate that a microstructural figure-of-merit, the effective relative density, can be used to quantify and predict the mechanical response.

  17. Mapping the Local Density of Optical States of a Photonic Crystal with Single Quantum Dots

    DEFF Research Database (Denmark)

    Wang, Qin; Stobbe, Søren; Lodahl, Peter

    2011-01-01

    We use single self-assembled InGaAs quantum dots as internal probes to map the local density of optical states of photonic crystal membranes. The employed technique separates contributions from nonradiative recombination and spin-flip processes by properly accounting for the role of the exciton...... fine structure. We observe inhibition factors as high as 70 and compare our results to local density of optical states calculations available from the literature, thereby establishing a quantitative understanding of photon emission in photonic crystal membranes. © 2011 American Physical Society....

  18. Non-local energy density functionals: models plus some exact general results

    International Nuclear Information System (INIS)

    March, N.H.

    2001-02-01

    Holas and March (Phys. Rev. A51, 2040, 1995) gave a formally exact expression for the force - δV xc (r-tilde)/δr-tilde associated with the exchange-correlation potential V xc (r-tilde) of density functional theory. This forged a precise link between first- and second-order density matrices and V xc (r-tilde). Here models are presented in which these low-order matrices can be related to the ground-state electron density. This allows non-local energy density functionals to be constructed within the framework of such models. Finally, results emerging from these models have led to the derivation of some exact 'nuclear cusp' relations for exchange and correlation energy densities in molecules, clusters and condensed phases. (author)

  19. Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

    Science.gov (United States)

    Sun, Jianwei; Perdew, John P.; Yang, Zenghui; Peng, Haowei

    2016-05-01

    The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

  20. Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Jianwei; Yang, Zenghui; Peng, Haowei [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States); Perdew, John P. [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States); Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122 (United States)

    2016-05-21

    The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

  1. Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

    International Nuclear Information System (INIS)

    Sun, Jianwei; Yang, Zenghui; Peng, Haowei; Perdew, John P.

    2016-01-01

    The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

  2. Local variation in conspecific plant density influences plant-soil feedback in a natural grassland

    NARCIS (Netherlands)

    Kos, M.; Veendrick, Johan; Bezemer, T.M.

    2013-01-01

    Several studies have argued that under field conditions plant–soil feedback may be related to the local density of a plant species, but plant–soil feedback is often studied by comparing conspecific and heterospecific soils or by using mixed soil samples collected from different locations and plant

  3. Local offspring density and sex ratio affect sex allocation in the great tit

    NARCIS (Netherlands)

    Michler, Stephanie P. M.; Nicolaus, Marion; van der Velde, Marco; Radersma, Reinder; Ubels, Richard; Both, Christiaan; Komdeur, Jan; Tinbergen, Joost M.

    2013-01-01

    The expected fitness gain for offspring of a given sex may depend on local population sex ratio and density. Knowing the influence of such social factors on brood sex ratios may contribute considerably to the understanding of sex allocation in higher vertebrates. For 3 consecutive years, we

  4. Do sex-specific densities affect local survival of free-ranging great tits?

    NARCIS (Netherlands)

    Michler, Stephanie P. M.; Nicolaus, Marion; Ubels, Richard; van der Velde, Marco; Both, Christiaan; Tinbergen, Joost M.; Komdeur, Jan

    2011-01-01

    Competition within sexes is expected when resources are sex specific, whereas competition between sexes can occur when similar resources are exploited. Local population density and sex ratio will determine the amount of sex-specific interactions and thus the potential degree of sex-specific

  5. Electromagnetic local density of states in graphene-covered porous silicon carbide

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Ting [Department of Physics, Nanchang University, Nanchang 330031 (China); Wang, Tong-Biao, E-mail: tbwang@ncu.edu.cn [Department of Physics, Nanchang University, Nanchang 330031 (China); Liao, Qing-Hua; Liu, Jiang-Tao; Yu, Tian-Bao [Department of Physics, Nanchang University, Nanchang 330031 (China); Liu, Nian-Hua [Institute for Advanced Study, Nanchang University, Nanchang 330031 (China)

    2017-06-21

    Surface phonon polariton supported by silicon carbide (SiC) can be strongly coupled with graphene plasmon in the graphene-covered SiC bulk. The spectrum of the electromagnetic local density of states exhibits two peaks whose positions can be tuned by the chemical potential of graphene. In this work, we study the electromagnetic local density of states in the proximity of a graphene-covered SiC with periodic hole arrays. The well-known peak from the coupling of surface polariton supported by SiC and graphene plasmon splits into two. With increased volume ratio of holes, one of the split peak shifts towards high frequencies, whereas the other moves towards low frequencies. The dependence of split-peak positions on the chemical potential and permittivity of filling materials in the holes are also investigated. This study offers another method of modulating the electromagnetic local density of states. - Highlights: • The electromagnetic local density of states in the proximity of graphene-covered anisotropic SiC is firstly studied. • The peak from resonance of surface phonon polaritons in the EM-LDOS spectrum can be split into two. • The split peaks can be tuned by chemical potential, filling factor, and filling materials. • Our results provide a new method to modulate the EM-LDOS.

  6. Definition of current density in the presence of a non-local potential.

    Science.gov (United States)

    Li, Changsheng; Wan, Langhui; Wei, Yadong; Wang, Jian

    2008-04-16

    In the presence of a non-local potential arising from electron-electron interaction, the conventional definition of current density J(c) = (e/2m)([(p-eA)ψ](*)ψ-ψ(*)[(p-eA)ψ]) cannot satisfy the condition of current conservation, i.e., [Formula: see text] in the steady state. In order to solve this problem, we give a new definition of current density including the contribution due to the non-local potential. We show that the current calculated based on the new definition of current density conserves the current and is the same as that obtained from the Landauer-Büttiker formula. Examples are given to demonstrate our results.

  7. Frequency-resolved interferometric measurement of local density fluctuations for turbulent combustion analysis

    International Nuclear Information System (INIS)

    Köberl, S; Giuliani, F; Woisetschläger, J; Fontaneto, F

    2010-01-01

    A validation of a novel interferometric measurement technique for the frequency-resolved detection of local density fluctuation in turbulent combustion analysis was performed in this work. Two laser vibrometer systems together with a signal analyser were used to obtain frequency spectra of density fluctuations across a methane-jet flame. Since laser vibrometry is based on interferometric techniques, the derived signals are path-integrals along the measurement beam. To obtain local frequency spectra of density fluctuations, long-time-averaged measurements from each of the two systems were performed using correlation functions and cross spectra. Results were compared to data recorded by standard interferometric techniques for validation purposes. Additionally, Raman scattering and laser Doppler velocimetry were used for flame characterization

  8. Definition of current density in the presence of a non-local potential

    International Nuclear Information System (INIS)

    Li Changsheng; Wan Langhui; Wei Yadong; Wang Jian

    2008-01-01

    In the presence of a non-local potential arising from electron-electron interaction, the conventional definition of current density J c = (e/2m)([(p-eA)ψ]*ψ-ψ*[(p-eA)ψ]) cannot satisfy the condition of current conservation, i.e., ∇ . J c ≠ 0 in the steady state. In order to solve this problem, we give a new definition of current density including the contribution due to the non-local potential. We show that the current calculated based on the new definition of current density conserves the current and is the same as that obtained from the Landauer-Buettiker formula. Examples are given to demonstrate our results

  9. Reconstructing the Initial Density Field of the Local Universe: Methods and Tests with Mock Catalogs

    Science.gov (United States)

    Wang, Huiyuan; Mo, H. J.; Yang, Xiaohu; van den Bosch, Frank C.

    2013-07-01

    Our research objective in this paper is to reconstruct an initial linear density field, which follows the multivariate Gaussian distribution with variances given by the linear power spectrum of the current cold dark matter model and evolves through gravitational instabilities to the present-day density field in the local universe. For this purpose, we develop a Hamiltonian Markov Chain Monte Carlo method to obtain the linear density field from a posterior probability function that consists of two components: a prior of a Gaussian density field with a given linear spectrum and a likelihood term that is given by the current density field. The present-day density field can be reconstructed from galaxy groups using the method developed in Wang et al. Using a realistic mock Sloan Digital Sky Survey DR7, obtained by populating dark matter halos in the Millennium simulation (MS) with galaxies, we show that our method can effectively and accurately recover both the amplitudes and phases of the initial, linear density field. To examine the accuracy of our method, we use N-body simulations to evolve these reconstructed initial conditions to the present day. The resimulated density field thus obtained accurately matches the original density field of the MS in the density range 0.3 \\lesssim \\rho /\\bar{\\rho } \\lesssim 20 without any significant bias. In particular, the Fourier phases of the resimulated density fields are tightly correlated with those of the original simulation down to a scale corresponding to a wavenumber of ~1 h Mpc-1, much smaller than the translinear scale, which corresponds to a wavenumber of ~0.15 h Mpc-1.

  10. Analysis of local dislocation densities in cold-rolled alloy 690 using transmission electron microscopy

    International Nuclear Information System (INIS)

    Ahn, Tae-Young; Kim, Sung Woo; Hwang, Seong Sik

    2016-01-01

    Service failure of alloy 690 in NPP has not been reported. However, some research groups reported that primary water stress corrosion cracking (PWSCC) occurred in severely cold-rolled alloy 690. Transgranular craking was also reported in coll-rolled alloy 690 with a banded structure. In order to understand the effect of cold rolling on the cracking of alloy 690, many research groups have focused on the local strain and the cracked carbide induced by cold-rolling, by using electron backscatter diffraction (EBSD). Transmission electron microscopy (TEM) has been widely used to characterize structural materials because this technique has superior spatial resolution and allows for the analysis of crystallographic and chemical information. The aim of the present study is to understand the mechanism of the abnormally high crack growth rate (CGR) in cold-rolled alloy 690 with a banded structure. The local dislocation density was measured by TEM to confirm the effects of local strain on the stress corrosion cracking (SCC) of alloy 690 with a banded structure. The effects of intragranular carbides on the SCC were also evaluated in this study. The local dislocation densities were directly measured using TEM to understand the effect of local strain on the SCC of Ni-based alloy 690 with a banded structure. The dislocation densities in the interior of the grains sharply increased in highly cold-rolled specimens due to intragranular carbide, which acted as a dislocation source

  11. Differentiability in density-functional theory: Further study of the locality theorem

    International Nuclear Information System (INIS)

    Lindgren, Ingvar; Salomonson, Sten

    2004-01-01

    The locality theorem in density-functional theory (DFT) states that the functional derivative of the Hohenberg-Kohn universal functional can be expressed as a local multiplicative potential function, and this is the basis of DFT and of the successful Kohn-Sham model. Nesbet has in several papers [Phys. Rev. A 58, R12 (1998); ibid.65, 010502 (2001); Adv. Quant. Chem, 43, 1 (2003)] claimed that this theorem is in conflict with fundamental quantum physics, and as a consequence that the Hohenberg-Kohn theory cannot be generally valid. We have commented upon these works [Comment, Phys. Rev. A 67, 056501 (2003)] and recently extended the arguments [Adv. Quantum Chem. 43, 95 (2003)]. We have shown that there is no such conflict and that the locality theorem is inherently exact. In the present work we have furthermore verified this numerically by constructing a local Kohn-Sham potential for the 1s2s 3 S state of helium that generates the many-body electron density and shown that the corresponding 2s Kohn-Sham orbital eigenvalue agrees with the ionization energy to nine digits. Similar result is obtained with the Hartree-Fock density. Therefore, in addition to verifying the locality theorem, this result also confirms the so-called ionization-potential theorem

  12. Local Atomic Structure and Discommensurations in the Charge Density Wave of CeTe{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Kim, H J; Tomic, A T; Tessmer, S H; Billinge, S J.L. [Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824 (United States); Malliakas, C D; Kanatzidis, M G [Department of Chemistry, Michigan State University, East Lansing, Michigan 48824 (United States)

    2006-06-09

    The local structure of CeTe{sub 3} in the incommensurate charge density wave (IC-CDW) state has been obtained using atomic pair distribution function analysis of x-ray diffraction data. Local atomic distortions in the Te nets due to the CDW are larger than observed crystallographically, resulting in distinct short and long Te-Te bonds. Observation of different distortion amplitudes in the local and average structures is explained by the discommensurated nature of the CDW, since the pair distribution function is sensitive to the local displacements within the commensurate regions, whereas the crystallographic result averages over many discommensurated domains. The result is supported by STM data. This is the first quantitative local structural study within the commensurate domains in an IC-CDW system.

  13. Coral reef degradation is not correlated with local human population density

    Science.gov (United States)

    Bruno, John F.; Valdivia, Abel

    2016-07-01

    The global decline of reef-building corals is understood to be due to a combination of local and global stressors. However, many reef scientists assume that local factors predominate and that isolated reefs, far from human activities, are generally healthier and more resilient. Here we show that coral reef degradation is not correlated with human population density. This suggests that local factors such as fishing and pollution are having minimal effects or that their impacts are masked by global drivers such as ocean warming. Our results also suggest that the effects of local and global stressors are antagonistic, rather than synergistic as widely assumed. These findings indicate that local management alone cannot restore coral populations or increase the resilience of reefs to large-scale impacts. They also highlight the truly global reach of anthropogenic warming and the immediate need for drastic and sustained cuts in carbon emissions.

  14. Local Atomic Structure and Discommensurations in the Charge Density Wave of CeTe3

    International Nuclear Information System (INIS)

    Kim, H.J.; Tomic, A.T.; Tessmer, S.H.; Billinge, S.J.L.; Malliakas, C.D.; Kanatzidis, M.G.

    2006-01-01

    The local structure of CeTe 3 in the incommensurate charge density wave (IC-CDW) state has been obtained using atomic pair distribution function analysis of x-ray diffraction data. Local atomic distortions in the Te nets due to the CDW are larger than observed crystallographically, resulting in distinct short and long Te-Te bonds. Observation of different distortion amplitudes in the local and average structures is explained by the discommensurated nature of the CDW, since the pair distribution function is sensitive to the local displacements within the commensurate regions, whereas the crystallographic result averages over many discommensurated domains. The result is supported by STM data. This is the first quantitative local structural study within the commensurate domains in an IC-CDW system

  15. Local electric dipole moments for periodic systems via density functional theory embedding.

    Science.gov (United States)

    Luber, Sandra

    2014-12-21

    We describe a novel approach for the calculation of local electric dipole moments for periodic systems. Since the position operator is ill-defined in periodic systems, maximally localized Wannier functions based on the Berry-phase approach are usually employed for the evaluation of local contributions to the total electric dipole moment of the system. We propose an alternative approach: within a subsystem-density functional theory based embedding scheme, subset electric dipole moments are derived without any additional localization procedure, both for hybrid and non-hybrid exchange-correlation functionals. This opens the way to a computationally efficient evaluation of local electric dipole moments in (molecular) periodic systems as well as their rigorous splitting into atomic electric dipole moments. As examples, Infrared spectra of liquid ethylene carbonate and dimethyl carbonate are presented, which are commonly employed as solvents in Lithium ion batteries.

  16. Local electric dipole moments for periodic systems via density functional theory embedding

    Energy Technology Data Exchange (ETDEWEB)

    Luber, Sandra, E-mail: sandra.luber@chem.uzh.ch [Institut für Chemie, Universität Zürich, Winterthurerstrasse 190, 8057 Zürich (Switzerland)

    2014-12-21

    We describe a novel approach for the calculation of local electric dipole moments for periodic systems. Since the position operator is ill-defined in periodic systems, maximally localized Wannier functions based on the Berry-phase approach are usually employed for the evaluation of local contributions to the total electric dipole moment of the system. We propose an alternative approach: within a subsystem-density functional theory based embedding scheme, subset electric dipole moments are derived without any additional localization procedure, both for hybrid and non-hybrid exchange–correlation functionals. This opens the way to a computationally efficient evaluation of local electric dipole moments in (molecular) periodic systems as well as their rigorous splitting into atomic electric dipole moments. As examples, Infrared spectra of liquid ethylene carbonate and dimethyl carbonate are presented, which are commonly employed as solvents in Lithium ion batteries.

  17. Local activation time sampling density for atrial tachycardia contact mapping: how much is enough?

    Science.gov (United States)

    Williams, Steven E; Harrison, James L; Chubb, Henry; Whitaker, John; Kiedrowicz, Radek; Rinaldi, Christopher A; Cooklin, Michael; Wright, Matthew; Niederer, Steven; O'Neill, Mark D

    2018-02-01

    Local activation time (LAT) mapping forms the cornerstone of atrial tachycardia diagnosis. Although anatomic and positional accuracy of electroanatomic mapping (EAM) systems have been validated, the effect of electrode sampling density on LAT map reconstruction is not known. Here, we study the effect of chamber geometry and activation complexity on optimal LAT sampling density using a combined in silico and in vivo approach. In vivo 21 atrial tachycardia maps were studied in three groups: (1) focal activation, (2) macro-re-entry, and (3) localized re-entry. In silico activation was simulated on a 4×4cm atrial monolayer, sampled randomly at 0.25-10 points/cm2 and used to re-interpolate LAT maps. Activation patterns were studied in the geometrically simple porcine right atrium (RA) and complex human left atrium (LA). Activation complexity was introduced into the porcine RA by incomplete inter-caval linear ablation. In all cases, optimal sampling density was defined as the highest density resulting in minimal further error reduction in the re-interpolated maps. Optimal sampling densities for LA tachycardias were 0.67 ± 0.17 points/cm2 (focal activation), 1.05 ± 0.32 points/cm2 (macro-re-entry) and 1.23 ± 0.26 points/cm2 (localized re-entry), P = 0.0031. Increasing activation complexity was associated with increased optimal sampling density both in silico (focal activation 1.09 ± 0.14 points/cm2; re-entry 1.44 ± 0.49 points/cm2; spiral-wave 1.50 ± 0.34 points/cm2, P density (0.61 ± 0.22 points/cm2 vs. 1.0 ± 0.34 points/cm2, P = 0.0015). Optimal sampling densities can be identified to maximize diagnostic yield of LAT maps. Greater sampling density is required to correctly reveal complex activation and represent activation across complex geometries. Overall, the optimal sampling density for LAT map interpolation defined in this study was ∼1.0-1.5 points/cm2. Published on behalf of the European Society of

  18. The local dark matter phase-space density and impact on WIMP direct detection

    International Nuclear Information System (INIS)

    Catena, Riccardo; Ullio, Piero

    2012-01-01

    We present a new determination of the local dark matter phase-space density. This result is obtained implementing, in the limit of isotropic velocity distribution and spherical symmetry, Eddington's inversion formula, which links univocally the dark matter distribution function to the density profile, and applying, within a Bayesian framework, a Markov Chain Monte Carlo algorithm to sample mass models for the Milky Way against a broad and variegated sample of dynamical constraints. We consider three possible choices for the dark matter density profile, namely the Einasto, NFW and Burkert profiles, finding that the velocity dispersion, which characterizes the width in the distribution, tends to be larger for the Burkert case, while the escape velocity depends very weakly on the profile, with the mean value we obtain being in very good agreement with estimates from stellar kinematics. The derived dark matter phase-space densities differ significantly — most dramatically in the high velocity tails — from the model usually taken as a reference in dark matter detection studies, a Maxwell-Boltzmann distribution with velocity dispersion fixed in terms of the local circular velocity and with a sharp truncation at a given value of the escape velocity. We discuss the impact of astrophysical uncertainties on dark matter scattering rates and direct detection exclusion limits, considering a few sample cases and showing that the most sensitive ones are those for light dark matter particles and for particles scattering inelastically. As a general trend, regardless of the assumed profile, when adopting a self-consistent phase-space density, we find that rates are larger, and hence exclusion limits stronger, than with the standard Maxwell-Boltzmann approximation. Tools for applying our result on the local dark matter phase-space density to other dark matter candidates or experimental setups are provided

  19. Local and Landscape Correlates of Spider Activity Density and Species Richness in Urban Gardens.

    Science.gov (United States)

    Otoshi, Michelle D; Bichier, Peter; Philpott, Stacy M

    2015-08-01

    Urbanization is a major threat to arthropod biodiversity and abundance due to reduction and loss of suitable natural habitat. Green spaces and small-scale agricultural areas may provide habitat and resources for arthropods within densely developed cities. We studied spider activity density (a measure of both abundance and degree of movement) and diversity in urban gardens in Santa Cruz, Santa Clara, and Monterey counties in central California, USA. We sampled for spiders with pitfall traps and sampled 38 local site characteristics for 5 mo in 19 garden sites to determine the relative importance of individual local factors. We also analyzed 16 landscape variables at 500-m and 1-km buffers surrounding each garden to determine the significance of landscape factors. We identified individuals from the most common families to species and identified individuals from other families to morphospecies. Species from the families Lycosidae and Gnaphosidae composed 81% of total adult spider individuals. Most of the significant factors that correlated with spider activity density and richness were local rather than landscape factors. Spider activity density and richness increased with mulch cover and flowering plant species, and decreased with bare soil. Thus, changes in local garden management have the potential to promote diversity of functionally important spiders in urban environments. © The Authors 2015. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  20. Intermolecular interaction potentials of the methane dimer from the local density approximation

    International Nuclear Information System (INIS)

    Chen Xiangrong; Bai Yulin; Zhu Jun; Yang Xiangdong

    2004-01-01

    The intermolecular interaction potentials of methane (CH 4 ) dimer are calculated within the density functional theory in the local density approximation (LDA). It is found that the calculated potentials have minima when the intermolecular distance of CH 4 dimer is about 7.0 a.u., which is in good agreement with the experiment. The depth of the potential is 0.017 eV. The results obtained by our LDA calculations seem to agree well with those obtained by MP2, MP3, and CCSD from the Moeller-Plesset and coupled cluster methods by Tsuzuki et al. and with the experimental data

  1. Dependence of inhomogeneous vibrational linewidth broadening on attractive forces from local liquid number densities

    International Nuclear Information System (INIS)

    George, S.M.; Harris, C.B.

    1982-01-01

    The dependence of inhomogeneous vibrational linewidth broadening on attractive forces form slowly varying local liquid number densities is examined. The recently developed Schweizer--Chandler theory of vibrational dephasing is used to compute absolute inhomogeneous broadening linewidths. The computed linewidths are compared to measured inhomogeneous broadening linewidths determined using picosecond vibrational dephasing experiments. There is a similarity between correlations of the Schweizer--Chandler and George--Auweter--Harris predicted inhomogeneous broadening linewidths and the measured inhomogeneous broadening linewidths. For the methyl stretches under investigation, this correspondence suggests that the width of the number density distribution in the liquid determines the relative inhomogeneous broadening magnitudes

  2. EVIDENCE FOR A ∼300 MEGAPARSEC SCALE UNDER-DENSITY IN THE LOCAL GALAXY DISTRIBUTION

    Energy Technology Data Exchange (ETDEWEB)

    Keenan, R. C. [Academia Sinica Institute of Astronomy and Astrophysics, P.O. Box 23-141, Taipei 10617, Taiwan (China); Barger, A. J. [Department of Astronomy, University of Wisconsin-Madison, 475 North Charter Street, Madison, WI 53706 (United States); Cowie, L. L. [Institute for Astronomy, University of Hawaii, 2680 Woodlawn Drive, Honolulu, HI 96822 (United States)

    2013-09-20

    Galaxy counts and recent measurements of the luminosity density in the near-infrared have indicated the possibility that the local universe may be under-dense on scales of several hundred megaparsecs. The presence of a large-scale under-density in the local universe could introduce significant biases into the interpretation of cosmological observables, and, in particular, into the inferred effects of dark energy on the expansion rate. Here we measure the K-band luminosity density as a function of redshift to test for such a local under-density. For our primary sample in this study, we select galaxies from the UKIDSS Large Area Survey and use spectroscopy from the Sloan Digital Sky Survey (SDSS), the Two-degree Field Galaxy Redshift Survey, the Galaxy And Mass Assembly Survey (GAMA), and other redshift surveys to generate a K-selected catalog of ∼35, 000 galaxies that is ∼95% spectroscopically complete at K{sub AB} < 16.3 (K{sub AB} < 17 in the GAMA fields). To complement this sample at low redshifts, we also analyze a K-selected sample from the 2M++ catalog, which combines Two Micron All Sky Survey (2MASS) photometry with redshifts from the 2MASS redshift survey, the Six-degree Field Galaxy Redshift Survey, and the SDSS. The combination of these samples allows for a detailed measurement of the K-band luminosity density as a function of distance over the redshift range 0.01 < z < 0.2 (radial distances D ∼ 50-800 h{sub 70}{sup -1} Mpc). We find that the overall shape of the z = 0 rest-frame K-band luminosity function (M*-5log (h{sub 70}) = –22.15 ± 0.04 and α = –1.02 ± 0.03) appears to be relatively constant as a function of environment and distance from us. We find a local (z < 0.07, D < 300 h{sub 70}{sup -1} Mpc) luminosity density that is in good agreement with previous studies. Beyond z ∼ 0.07, we detect a rising luminosity density that reaches a value of roughly ∼1.5 times higher than that measured locally at z > 0.1. This suggests that the

  3. Quasi-particle energy spectra in local reduced density matrix functional theory.

    Science.gov (United States)

    Lathiotakis, Nektarios N; Helbig, Nicole; Rubio, Angel; Gidopoulos, Nikitas I

    2014-10-28

    Recently, we introduced [N. N. Lathiotakis, N. Helbig, A. Rubio, and N. I. Gidopoulos, Phys. Rev. A 90, 032511 (2014)] local reduced density matrix functional theory (local RDMFT), a theoretical scheme capable of incorporating static correlation effects in Kohn-Sham equations. Here, we apply local RDMFT to molecular systems of relatively large size, as a demonstration of its computational efficiency and its accuracy in predicting single-electron properties from the eigenvalue spectrum of the single-particle Hamiltonian with a local effective potential. We present encouraging results on the photoelectron spectrum of molecular systems and the relative stability of C20 isotopes. In addition, we propose a modelling of the fractional occupancies as functions of the orbital energies that further improves the efficiency of the method useful in applications to large systems and solids.

  4. Multiple Vehicle Cooperative Localization with Spatial Registration Based on a Probability Hypothesis Density Filter

    Directory of Open Access Journals (Sweden)

    Feihu Zhang

    2014-01-01

    Full Text Available This paper studies the problem of multiple vehicle cooperative localization with spatial registration in the formulation of the probability hypothesis density (PHD filter. Assuming vehicles are equipped with proprioceptive and exteroceptive sensors (with biases to cooperatively localize positions, a simultaneous solution for joint spatial registration and state estimation is proposed. For this, we rely on the sequential Monte Carlo implementation of the PHD filtering. Compared to other methods, the concept of multiple vehicle cooperative localization with spatial registration is first proposed under Random Finite Set Theory. In addition, the proposed solution also addresses the challenges for multiple vehicle cooperative localization, e.g., the communication bandwidth issue and data association uncertainty. The simulation result demonstrates its reliability and feasibility in large-scale environments.

  5. Exact density functional and wave function embedding schemes based on orbital localization

    International Nuclear Information System (INIS)

    Hégely, Bence; Nagy, Péter R.; Kállay, Mihály; Ferenczy, György G.

    2016-01-01

    Exact schemes for the embedding of density functional theory (DFT) and wave function theory (WFT) methods into lower-level DFT or WFT approaches are introduced utilizing orbital localization. First, a simple modification of the projector-based embedding scheme of Manby and co-workers [J. Chem. Phys. 140, 18A507 (2014)] is proposed. We also use localized orbitals to partition the system, but instead of augmenting the Fock operator with a somewhat arbitrary level-shift projector we solve the Huzinaga-equation, which strictly enforces the Pauli exclusion principle. Second, the embedding of WFT methods in local correlation approaches is studied. Since the latter methods split up the system into local domains, very simple embedding theories can be defined if the domains of the active subsystem and the environment are treated at a different level. The considered embedding schemes are benchmarked for reaction energies and compared to quantum mechanics (QM)/molecular mechanics (MM) and vacuum embedding. We conclude that for DFT-in-DFT embedding, the Huzinaga-equation-based scheme is more efficient than the other approaches, but QM/MM or even simple vacuum embedding is still competitive in particular cases. Concerning the embedding of wave function methods, the clear winner is the embedding of WFT into low-level local correlation approaches, and WFT-in-DFT embedding can only be more advantageous if a non-hybrid density functional is employed.

  6. Exact density functional and wave function embedding schemes based on orbital localization

    Science.gov (United States)

    Hégely, Bence; Nagy, Péter R.; Ferenczy, György G.; Kállay, Mihály

    2016-08-01

    Exact schemes for the embedding of density functional theory (DFT) and wave function theory (WFT) methods into lower-level DFT or WFT approaches are introduced utilizing orbital localization. First, a simple modification of the projector-based embedding scheme of Manby and co-workers [J. Chem. Phys. 140, 18A507 (2014)] is proposed. We also use localized orbitals to partition the system, but instead of augmenting the Fock operator with a somewhat arbitrary level-shift projector we solve the Huzinaga-equation, which strictly enforces the Pauli exclusion principle. Second, the embedding of WFT methods in local correlation approaches is studied. Since the latter methods split up the system into local domains, very simple embedding theories can be defined if the domains of the active subsystem and the environment are treated at a different level. The considered embedding schemes are benchmarked for reaction energies and compared to quantum mechanics (QM)/molecular mechanics (MM) and vacuum embedding. We conclude that for DFT-in-DFT embedding, the Huzinaga-equation-based scheme is more efficient than the other approaches, but QM/MM or even simple vacuum embedding is still competitive in particular cases. Concerning the embedding of wave function methods, the clear winner is the embedding of WFT into low-level local correlation approaches, and WFT-in-DFT embedding can only be more advantageous if a non-hybrid density functional is employed.

  7. Exact density functional and wave function embedding schemes based on orbital localization

    Energy Technology Data Exchange (ETDEWEB)

    Hégely, Bence; Nagy, Péter R.; Kállay, Mihály, E-mail: kallay@mail.bme.hu [MTA-BME Lendület Quantum Chemistry Research Group, Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, P.O. Box 91, H-1521 Budapest (Hungary); Ferenczy, György G. [Medicinal Chemistry Research Group, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Magyar tudósok körútja 2, H-1117 Budapest (Hungary); Department of Biophysics and Radiation Biology, Semmelweis University, Tűzoltó u. 37-47, H-1094 Budapest (Hungary)

    2016-08-14

    Exact schemes for the embedding of density functional theory (DFT) and wave function theory (WFT) methods into lower-level DFT or WFT approaches are introduced utilizing orbital localization. First, a simple modification of the projector-based embedding scheme of Manby and co-workers [J. Chem. Phys. 140, 18A507 (2014)] is proposed. We also use localized orbitals to partition the system, but instead of augmenting the Fock operator with a somewhat arbitrary level-shift projector we solve the Huzinaga-equation, which strictly enforces the Pauli exclusion principle. Second, the embedding of WFT methods in local correlation approaches is studied. Since the latter methods split up the system into local domains, very simple embedding theories can be defined if the domains of the active subsystem and the environment are treated at a different level. The considered embedding schemes are benchmarked for reaction energies and compared to quantum mechanics (QM)/molecular mechanics (MM) and vacuum embedding. We conclude that for DFT-in-DFT embedding, the Huzinaga-equation-based scheme is more efficient than the other approaches, but QM/MM or even simple vacuum embedding is still competitive in particular cases. Concerning the embedding of wave function methods, the clear winner is the embedding of WFT into low-level local correlation approaches, and WFT-in-DFT embedding can only be more advantageous if a non-hybrid density functional is employed.

  8. The electron localization as the information content of the conditional pair density

    Energy Technology Data Exchange (ETDEWEB)

    Urbina, Andres S.; Torres, F. Javier [Universidad San Francisco de Quito (USFQ), Grupo de Química Computacional y Teórica (QCT-USFQ), Departamento de Química e Ingeniería Química, Diego de Robles y Via Interoceanica, Quito 17-1200-841 (Ecuador); Universidad San Francisco de Quito (USFQ), Instituto de Simulación Computacional (ISC-USFQ), Diego de Robles y Via Interoceanica, Quito 17-1200-841 (Ecuador); Rincon, Luis, E-mail: lrincon@usfq.edu.ec, E-mail: lrincon@ula.ve [Universidad San Francisco de Quito (USFQ), Grupo de Química Computacional y Teórica (QCT-USFQ), Departamento de Química e Ingeniería Química, Diego de Robles y Via Interoceanica, Quito 17-1200-841 (Ecuador); Universidad San Francisco de Quito (USFQ), Instituto de Simulación Computacional (ISC-USFQ), Diego de Robles y Via Interoceanica, Quito 17-1200-841 (Ecuador); Departamento de Química, Facultad de Ciencias, Universidad de Los Andes (ULA), La Hechicera, Mérida-5101 (Venezuela, Bolivarian Republic of)

    2016-06-28

    In the present work, the information gained by an electron for “knowing” about the position of another electron with the same spin is calculated using the Kullback-Leibler divergence (D{sub KL}) between the same-spin conditional pair probability density and the marginal probability. D{sub KL} is proposed as an electron localization measurement, based on the observation that regions of the space with high information gain can be associated with strong correlated localized electrons. Taking into consideration the scaling of D{sub KL} with the number of σ-spin electrons of a system (N{sup σ}), the quantity χ = (N{sup σ} − 1) D{sub KL}f{sub cut} is introduced as a general descriptor that allows the quantification of the electron localization in the space. f{sub cut} is defined such that it goes smoothly to zero for negligible densities. χ is computed for a selection of atomic and molecular systems in order to test its capability to determine the region in space where electrons are localized. As a general conclusion, χ is able to explain the electron structure of molecules on the basis of chemical grounds with a high degree of success and to produce a clear differentiation of the localization of electrons that can be traced to the fluctuation in the average number of electrons in these regions.

  9. Density of states controls Anderson localization in disordered photonic crystal waveguides

    DEFF Research Database (Denmark)

    Garcia-Fernández, David; Smolka, Stephan; Stobbe, Søren

    2010-01-01

    We prove Anderson localization in a disordered photonic crystal waveguide by measuring the ensemble-averaged extinction mean-free path, ℓe, which is controlled by the dispersion in the photon density of states (DOS) of the photonic crystal waveguide. Except for the very low DOS case, where out......-of-plane losses are non-negligible, ℓe can be approximated to be the localization length ξ. The extinction mean-free path shows a fivefold variation between the low- and the high-DOS regime, and it becomes shorter than the sample length thus giving rise to strongly confined modes. The dispersive behavior of ℓe...

  10. Local conditions for the Pauli potential in order to yield self-consistent electron densities exhibiting proper atomic shell structure

    Energy Technology Data Exchange (ETDEWEB)

    Finzel, Kati, E-mail: kati.finzel@liu.se [Linköpings University, IFM Department of Physics, 58183 Linköping (Sweden)

    2016-01-21

    The local conditions for the Pauli potential that are necessary in order to yield self-consistent electron densities from orbital-free calculations are investigated for approximations that are expressed with the help of a local position variable. It is shown that those local conditions also apply when the Pauli potential is given in terms of the electron density. An explicit formula for the Ne atom is given, preserving the local conditions during the iterative procedure. The resulting orbital-free electron density exhibits proper shell structure behavior and is in close agreement with the Kohn-Sham electron density. This study demonstrates that it is possible to obtain self-consistent orbital-free electron densities with proper atomic shell structure from simple one-point approximations for the Pauli potential at local density level.

  11. 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)

  12. Local elastic properties of nano-confined fluids: A density functional study

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Zongli, E-mail: zongli_sun@163.com [Science and Technology College, North China Electric Power University, Baoding 071051 (China); Kang, Yanshuang [College of Science, Agriculture University of Hebei, Baoding 071001 (China)

    2014-05-01

    The understanding of mechanical properties of confined fluids is essential for modeling and manipulating of nano-scaled systems. Unlike the uniform phase, the confined fluids usually display different features in structure and related properties. Due to the presence of the confining geometry, the density profile and many physical and chemical properties may be position-dependent. The aim of our research is to derive an expression for the local elastic property by using the classical elastic theory. Both the bulk and shear moduli are expressed as functional of density of particle. The theoretical result derived is applied to the Lennard-Jones fluids confined in nano-cavity. Comparison of our numerical result and the simulation result is made and qualitative agreement is observed. Further, influence of bulk density, temperature and external potential on moduli is calculated and the physical mechanism is analyzed. Relationship between contact modulus and the interfacial tension is also calculated. Their opposite trend with temperature is observed.

  13. Low-density, one-dimensional quantum gases in the presence of a localized attractive potential

    International Nuclear Information System (INIS)

    Goold, J; O'Donoghue, D; Busch, Th

    2008-01-01

    We investigate low-density, quantum-degenerate gases in the presence of a localized attractive potential in the centre of a one-dimensional harmonic trap. The attractive potential is modelled using a parameterized δ-function, allowing us to determine all single-particle eigenfunctions analytically. From these we calculate the ground-state many-body properties for a system of spin-polarized fermions and, using the Bose-Fermi mapping theorem, extend the results to strongly interacting bosonic systems. We discuss the single-particle densities, the pair-correlation functions, the reduced single-particle density matrices and the momentum distributions as a function of the particle number and strength of the attractive point potential. As an important experimental observable, we place special emphasis on spatial coherence properties of such samples.

  14. Local elastic properties of nano-confined fluids: A density functional study

    International Nuclear Information System (INIS)

    Sun, Zongli; Kang, Yanshuang

    2014-01-01

    The understanding of mechanical properties of confined fluids is essential for modeling and manipulating of nano-scaled systems. Unlike the uniform phase, the confined fluids usually display different features in structure and related properties. Due to the presence of the confining geometry, the density profile and many physical and chemical properties may be position-dependent. The aim of our research is to derive an expression for the local elastic property by using the classical elastic theory. Both the bulk and shear moduli are expressed as functional of density of particle. The theoretical result derived is applied to the Lennard-Jones fluids confined in nano-cavity. Comparison of our numerical result and the simulation result is made and qualitative agreement is observed. Further, influence of bulk density, temperature and external potential on moduli is calculated and the physical mechanism is analyzed. Relationship between contact modulus and the interfacial tension is also calculated. Their opposite trend with temperature is observed.

  15. Localized Electrochemiluminescence from Nanoneedle Electrodes for Very-high-density Electrochemical Sensing

    KAUST Repository

    Zhang, Jingjing

    2017-09-28

    In this paper, localized electrochemiluminescence (ECL) was visualized from nanoneedle electrodes that achieved very-high-density electrochemical sensing. The localized luminescence at the nanometer-sized tip observed was ascribed to enhanced mass transfer of the luminescence probe at the tip than on the planar surface surrounding the tip, which provided higher luminescence at the tip. The size of the luminescence spots was restricted to 15 μm permitting the electrochemical analysis with a density over 4 × 103 spots/mm2. The positive correlation between the luminescence intensity at the tips and the concentration of hydrogen peroxide supported the quantitative ECL analysis using nanoneedle electrodes. The further modification of glucose oxidase at the electrode surface conceptually demonstrated that the concentration of glucose ranging from 0.5 to 5 mM could be quantified using the luminescence at the tips, which could be further applied for the detection of multiple molecules in the complex biosystem. This successful localized ECL offers a specific strategy for the development of very-high-density electrochemical arrays without the complicated chip design.

  16. Wigner-like crystallization of Anderson-localized electron systems with low electron densities

    International Nuclear Information System (INIS)

    Slutskin, A.A.; Kovtun, H.A.; Pepper, M.

    2002-01-01

    We consider an electron system under conditions of strong Anderson localization, taking into account interelectron long-range Coulomb repulsion. We establish that at sufficiently low electron densities and sufficiently low temperatures the Coulomb electron interaction brings about ordering of the Anderson-localized electrons into a structure that is close to an ideal (Wigner) crystal lattice, provided the dimension of the system is > 1. This Anderson-Wigner glass (AWG) is a new macroscopic electron state that, on the one hand, is beyond the conventional Fermi glass concept, and on the other hand, qualitatively differs from the known 'plain' Wigner glass (inherent in self-localized electron systems) in that the random slight electron displacements from the ideal crystal sites essentially depend on the electron density. With increasing electron density the AWG is found to turn into the plain Wigner glass or Fermi glass, depending on the width of the random spread of the electron levels. It is shown that the residual disorder of the AWG is characterized by a multi-valley ground-state degeneracy akin to that in a spin glass. Some general features of the AWG are discussed, and a new conduction mechanism of a creep type is predicted

  17. Intratumor microvessel density in biopsy specimens predicts local response of hypopharyngeal cancer to radiotherapy

    International Nuclear Information System (INIS)

    Zhang, Shi-Chuan; Miyamoto, Shin-ichi; Hasebe, Takahiro; Ishii, Genichiro; Ochiai, Atsushi; Kamijo, Tomoyuki; Hayashi, Ryuichi; Fukayama, Masashi

    2003-01-01

    The aim of this retrospective study was to identify reliable predictive factors for local control of hypopharyngeal cancer (HPC) treated by radiotherapy. A cohort of 38 patients with HPC treated by radical radiotherapy at the National Cancer Center Hospital East between 1992 and 1999 were selected as subjects for the present study. Paraffin-embedded pre-therapy biopsy specimens from these patients were used for immunostaining to evaluate the relationships between local tumor control and expression of the following previously reported predictive factors for local recurrence of head and neck cancer treated by radiotherapy: Ki-67, Cyclin D1, CDC25B, VEGF, p53, Bax and Bcl-2. The predictive power of microvessel density (MVD) in biopsy specimens and of clinicopathologic factors (age, gender and clinical tumor-node-metastasis stage) was also statistically analyzed. Twenty-five patients developed tumor recurrence at the primary site. Univariate analysis indicated better local control of tumors with high microvessel density [MVD≥median (39 vessels/field)] than with low MVD (< median, P=0.042). There were no significant associations between local control and expression of Ki-67 (P=0.467), Bcl-2 (P=0.127), Bax (P=0.242), p53 (P=0.262), Cyclin D1 (P=0.245), CDC25B (P=0.511) or VEGF (P=0.496). Clinicopathologic factors were also demonstrated to have no significant influence on local control (age, P=0.974; gender, P=0.372; T factor, P=0.602; N factor, P=0.530; Stage, P=0.499). MVD in biopsy specimens was closely correlated with local control of HPC treated by radiotherapy. (author)

  18. Real-Time Counting People in Crowded Areas by Using Local Empirical Templates and Density Ratios

    Science.gov (United States)

    Hung, Dao-Huu; Hsu, Gee-Sern; Chung, Sheng-Luen; Saito, Hideo

    In this paper, a fast and automated method of counting pedestrians in crowded areas is proposed along with three contributions. We firstly propose Local Empirical Templates (LET), which are able to outline the foregrounds, typically made by single pedestrians in a scene. LET are extracted by clustering foregrounds of single pedestrians with similar features in silhouettes. This process is done automatically for unknown scenes. Secondly, comparing the size of group foreground made by a group of pedestrians to that of appropriate LET captured in the same image patch with the group foreground produces the density ratio. Because of the local scale normalization between sizes, the density ratio appears to have a bound closely related to the number of pedestrians who induce the group foreground. Finally, to extract the bounds of density ratios for groups of different number of pedestrians, we propose a 3D human models based simulation in which camera viewpoints and pedestrians' proximity are easily manipulated. We collect hundreds of typical occluded-people patterns with distinct degrees of human proximity and under a variety of camera viewpoints. Distributions of density ratios with respect to the number of pedestrians are built based on the computed density ratios of these patterns for extracting density ratio bounds. The simulation is performed in the offline learning phase to extract the bounds from the distributions, which are used to count pedestrians in online settings. We reveal that the bounds seem to be invariant to camera viewpoints and humans' proximity. The performance of our proposed method is evaluated with our collected videos and PETS 2009's datasets. For our collected videos with the resolution of 320x240, our method runs in real-time with good accuracy and frame rate of around 30 fps, and consumes a small amount of computing resources. For PETS 2009's datasets, our proposed method achieves competitive results with other methods tested on the same

  19. Relativistic and non-relativistic electronic molecular-structure calculations for dimers of 4p-, 5p-, and 6p-block elements.

    Science.gov (United States)

    Höfener, Sebastian; Ahlrichs, Reinhart; Knecht, Stefan; Visscher, Lucas

    2012-12-07

    We report results of non-relativistic and two-component relativistic single-reference coupled-cluster with single and double and perturbative triple excitations [CCSD(T)] treatments for the 4p-block dimers Ga(2) to Br(2) , the 5p-block dimers In(2) to I(2) , and their atoms. Extended basis sets up to pentuple zeta are employed and energies extrapolated to the complete basis-set limit. Relativistic and non-relativistic results for the dissociation energy D(e) are in close agreement with each other and previously published data, provided non-relativistic or scalar-relativistic results are corrected for spin-orbit contributions taken from the literature. An exception is Te(2) where theoretical results scatter by 0.085 eV. By virtue of this agreement it is unexpected that comparison with the experimental D(0) or D(e) dissociation energies (zero-point vibrational effects are negligible in this context) reveal errors larger than 0.1 eV for Ga(2), Ge(2), and Sb(2). Only relativistic treatments are presented for the 6p-block cases Tl(2) to At(2). Sufficient agreement with experimental data is found only for Pb(2) and Bi(2), the deviation of the computed and experimental D(0) values for Po(2) is again larger than 0.1 eV. Deviations of 0.1 eV between the computed and experimental D(0) values are a major reason for concern and call for additional investigations in both fields to clarify the situation. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. The neutron's Dirac-equation: Its rigorous solution at slab-like magnetic fields, non-relativistic approximation, energy spectra and statistical characteristics

    International Nuclear Information System (INIS)

    Zhang Yongde.

    1987-03-01

    In this paper, the neutron Dirac-equation is presented. After decoupling it into two equations of the simple spinors, the rigorous solution of this equation is obtained in the case of slab-like uniform magnetic fields at perpendicular incidence. At non-relativistic approximation and first order approximation of weak field (NRWFA), our results have included all results that have been obtained in references for this case up to now. The corresponding transformations of the neutron's spin vectors are given. The single particle spectrum and its approximate expression are obtained. The characteristics of quantum statistics with the approximate expression of energy spectrum are studied. (author). 15 refs

  1. Using the electron localization function to correct for confinement physics in semi-local density functional theory

    International Nuclear Information System (INIS)

    Hao, Feng; Mattsson, Ann E.; Armiento, Rickard

    2014-01-01

    We have previously proposed that further improved functionals for density functional theory can be constructed based on the Armiento-Mattsson subsystem functional scheme if, in addition to the uniform electron gas and surface models used in the Armiento-Mattsson 2005 functional, a model for the strongly confined electron gas is also added. However, of central importance for this scheme is an index that identifies regions in space where the correction provided by the confined electron gas should be applied. The electron localization function (ELF) is a well-known indicator of strongly localized electrons. We use a model of a confined electron gas based on the harmonic oscillator to show that regions with high ELF directly coincide with regions where common exchange energy functionals have large errors. This suggests that the harmonic oscillator model together with an index based on the ELF provides the crucial ingredients for future improved semi-local functionals. For a practical illustration of how the proposed scheme is intended to work for a physical system we discuss monoclinic cupric oxide, CuO. A thorough discussion of this system leads us to promote the cell geometry of CuO as a useful benchmark for future semi-local functionals. Very high ELF values are found in a shell around the O ions, and take its maximum value along the Cu–O directions. An estimate of the exchange functional error from the effect of electron confinement in these regions suggests a magnitude and sign that could account for the error in cell geometry

  2. Cell density-dependent nuclear/cytoplasmic localization of NORPEG (RAI14) protein

    International Nuclear Information System (INIS)

    Kutty, R. Krishnan; Chen, Shanyi; Samuel, William; Vijayasarathy, Camasamudram; Duncan, Todd; Tsai, Jen-Yue; Fariss, Robert N.; Carper, Deborah; Jaworski, Cynthia; Wiggert, Barbara

    2006-01-01

    NORPEG (RAI14), a developmentally regulated gene induced by retinoic acid, encodes a 980 amino acid (aa) residue protein containing six ankyrin repeats and a long coiled-coil domain [Kutty et al., J. Biol. Chem. 276 (2001), pp. 2831-2840]. We have expressed aa residues 1-287 of NORPEG and used the recombinant protein to produce an anti-NORPEG polyclonal antibody. Confocal immunofluorescence analysis showed that the subcellular localization of NORPEG in retinal pigment epithelial (ARPE-19) cells varies with cell density, with predominantly nuclear localization in nonconfluent cells, but a cytoplasmic localization, reminiscent of cytoskeleton, in confluent cultures. Interestingly, an evolutionarily conserved putative monopartite nuclear localization signal (P 27 KKRKAP 276 ) was identified by analyzing the sequences of NORPEG and its orthologs. GFP-NORPEG (2-287 aa), a fusion protein containing this signal, was indeed localized to nuclei when expressed in ARPE-19 or COS-7 cells. Deletion and mutation analysis indicated that the identified nuclear localization sequence is indispensable for nuclear targeting

  3. Determining the Local Dark Matter Density with SDSS G-dwarf data

    Science.gov (United States)

    Silverwood, Hamish; Sivertsson, Sofia; Read, Justin; Bertone, Gianfranco; Steger, Pascal

    2018-04-01

    We present a determination of the local dark matter density derived using the integrated Jeans equation method presented in Silverwood et al. (2016) applied to SDSS-SEGUE G-dwarf data processed by Büdenbender et al. (2015). For our analysis we construct models for the tracer density, dark matter and baryon distribution, and tilt term (linking radial and vertical motions), and then calculate the vertical velocity dispersion using the integrated Jeans equation. These models are then fit to the data using MultiNest, and a posterior distribution for the local dark matter density is derived. We find the most reliable determination to come from the α-young population presented in Büdenbender et al. (2015), yielding a result of ρDM = 0.46+0.07 -0.09 GeV cm-3 = 0.012+0.001 -0.002 M⊙ pc-3. Our results also illuminate the path ahead for future analyses using Gaia DR2 data, highlighting which quantities will need to be determined and which assumptions could be relaxed.

  4. Calculation of the local optical density of states in absorbing and gain media

    International Nuclear Information System (INIS)

    Di Stefano, O; Fina, N; Savasta, S; Girlanda, R; Pieruccini, M

    2010-01-01

    The local optical density of states plays a key role in a wide range of phenomena. Near to structures displaying optical absorption or gain, the definition of the photonic local density of states needs to be revised. In this case two operative different definitions can be adopted to characterize photonic structures. The first (ρ A (r, ω)) describes the light intensity at a point r when the material system is illuminated isotropically and corresponds to what can be measured by a near-field microscope. The second (ρ B (r, ω)) gives a measure of vacuum fluctuations and coincides with ρ A (r, ω) in systems with real susceptibility. Scattering calculations in the presence of dielectric and metallic nanostructures show that these two definitions can give rather different results, the difference being proportional to the thermal emission power of the photonic structure. We present a detailed derivation of this result and numerical calculations for nanostructures displaying optical gain. In the presence of amplifying media, ρ B (r, ω) displays regions with negative photon densities, thus failing in describing a power signal. In contrast, ρ A (r, ω), positive definite, properly describes the near-field optical properties of these structures.

  5. Lightfront holography and area density of entropy associated with quantum localization on wedge-horizon

    Energy Technology Data Exchange (ETDEWEB)

    Schroer, Bert [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil)]. E-mail: schroer@cbpf.br

    2002-08-01

    The lightfront quantization of the 70s is reviewed in the more rigorous setting of lightfront (LF) restriction of free fields in which the lightfront is considered to be linear extension of the upper causal horizon of a wedge region. Particular attention is given to the change of localization structure in passing from the wedge to its horizon which results in the emergence of a transverse quantum mechanical substructure of the QFT on the horizon and its lightfront extension. The vacuum fluctuations of QFT on the LF are compressed into the direction of the lightray (where they become associated with a chiral QFT) and lead to the notion of area density of a 'split localization' entropy. To overcome the limitation of this restriction approach and include interacting theories with non-canonical short distance behavior, we introduce a new concept of algebraic lightfront holography which uses ideas of algebraic QFT, in particular the modular structure of its associated local operator algebras. In this way the localization properties of LF degrees of freedom including the absence of transverse vacuum fluctuations are confirmed to be stable against interactions. The important universality aspect of lightfront holography is emphasized. Only in this way one is able to extract from the 'split-localization' entropy a split-independent additive entropy-like measure of the entanglement of the vacuum upon restriction to the horizon algebra. (author)

  6. Implants delivering bisphosphonate locally increase periprosthetic bone density in an osteoporotic sheep model. A pilot study

    Directory of Open Access Journals (Sweden)

    GVA Stadelmann

    2008-07-01

    Full Text Available It is a clinical challenge to obtain a sufficient orthopaedic implant fixation in weak osteoporotic bone. When the primary implant fixation is poor, micromotions occur at the bone-implant interface, activating osteoclasts, which leads to implant loosening. Bisphosphonate can be used to prevent the osteoclastic response, but when administered systemically its bioavailability is low and the time it takes for the drug to reach the periprosthetic bone may be a limiting factor. Recent data has shown that delivering bisphosphonate locally from the implant surface could be an interesting solution. Local bisphosphonate delivery increased periprosthetic bone density, which leads to a stronger implant fixation, as demonstrated in rats by the increased implant pullout force. The aim of the present study was to verify the positive effect on periprosthetic bone remodelling of local bisphosphonate delivery in an osteoporotic sheep model. Four implants coated with zoledronate and two control implants were inserted in the femoral condyle of ovariectomized sheep for 4 weeks. The bone at the implant surface was 50% higher in the zoledronate-group compared to control group. This effect was significant up to a distance of 400µm from the implant surface. The presented results are similar to what was observed in the osteoporotic rat model, which suggest that the concept of releasing zoledronate locally from the implant to increase the implant fixation is not species specific. The results of this trial study support the claim that local zoledronate could increase the fixation of an implant in weak bone.

  7. Identification of Essential Proteins Based on a New Combination of Local Interaction Density and Protein Complexes.

    Directory of Open Access Journals (Sweden)

    Jiawei Luo

    Full Text Available Computational approaches aided by computer science have been used to predict essential proteins and are faster than expensive, time-consuming, laborious experimental approaches. However, the performance of such approaches is still poor, making practical applications of computational approaches difficult in some fields. Hence, the development of more suitable and efficient computing methods is necessary for identification of essential proteins.In this paper, we propose a new method for predicting essential proteins in a protein interaction network, local interaction density combined with protein complexes (LIDC, based on statistical analyses of essential proteins and protein complexes. First, we introduce a new local topological centrality, local interaction density (LID, of the yeast PPI network; second, we discuss a new integration strategy for multiple bioinformatics. The LIDC method was then developed through a combination of LID and protein complex information based on our new integration strategy. The purpose of LIDC is discovery of important features of essential proteins with their neighbors in real protein complexes, thereby improving the efficiency of identification.Experimental results based on three different PPI(protein-protein interaction networks of Saccharomyces cerevisiae and Escherichia coli showed that LIDC outperformed classical topological centrality measures and some recent combinational methods. Moreover, when predicting MIPS datasets, the better improvement of performance obtained by LIDC is over all nine reference methods (i.e., DC, BC, NC, LID, PeC, CoEWC, WDC, ION, and UC.LIDC is more effective for the prediction of essential proteins than other recently developed methods.

  8. A quantum theory of the self-energy of non-relativistic fermions and of the Coulomb-Yukawa force acting between them

    International Nuclear Information System (INIS)

    Ernst, V.

    1978-01-01

    The idea of the systematic Weisskopf-Wigner approximation as used sporadically in atomic physics and quantum optics, is extended here to the interaction of a field of non-relativistic fermions with a field of relativistic bosons. It is shown that the usual (non-existing) interaction Hamiltonian of this system can be written as a sum of a countable number of self-adjoint and bounded partial Hamiltonians. The system of these Hamiltonians defines the order hierarchy of the present approximation scheme. To demonstrate its physical utility it is shown that in a certain order it provides satisfactory quantum theory of the 'self-energy' of the fermions under discussion. This is defined as the binding energy of bosons bound to the fermions and building up the latter's 'individual Coulomb or Yukawa fields' in the sense of expectation values of the corresponding field operator. In states of more than one fermion the bound photons act as a mediating agent between the fermions; this mechanism closely resembles the Coulomb or Yukawa 'forces' used in conventional non-relativistic quantum mechanics. (author)

  9. Hydrogen plasmas beyond density-functional theory: dynamic correlations and the onset of localization

    International Nuclear Information System (INIS)

    Perrot, F.; Dharma-Wardana, M.W.C.

    1984-01-01

    The density-functional theory (DFT) equations - previously considered in their application to the study of a system of ions and electrons in thermodynamic equilibrium at arbitrary temperatures and pressure - are reviewed with attention given to extending their validity in obtaining the one-electron excitation spectrum. The DFT model developed here provides structure factors and Kohn-Sham eigenstates which are then used to calculate the self-energy of the one-electron Green function, thus transcending the local-density approximations and the well-known limitations of DFT, especially with regard to the excitation spectrum. The one-particle formalism used makes contact with the multiple-scattering theories of disordered materials, liquid metals, etc., and is a necessary first step to a future calculation of two-particle propagators and related properties. 28 references

  10. Local existence of solutions to the Euler-Poisson system, including densities without compact support

    Science.gov (United States)

    Brauer, Uwe; Karp, Lavi

    2018-01-01

    Local existence and well posedness for a class of solutions for the Euler Poisson system is shown. These solutions have a density ρ which either falls off at infinity or has compact support. The solutions have finite mass, finite energy functional and include the static spherical solutions for γ = 6/5. The result is achieved by using weighted Sobolev spaces of fractional order and a new non-linear estimate which allows to estimate the physical density by the regularised non-linear matter variable. Gamblin also has studied this setting but using very different functional spaces. However we believe that the functional setting we use is more appropriate to describe a physical isolated body and more suitable to study the Newtonian limit.

  11. Electronic structure of the Fe2 molecule in the local-spin-density approximation

    International Nuclear Information System (INIS)

    Dhar, S.; Kestner, N.R.

    1988-01-01

    Ab initio self-consistent all-electron spin-polarized calculations have been performed for the ground-state properties of the Fe 2 molecule using the local-spin-density approximation. A Gaussian orbital basis is employed and all the two-electron integrals are evaluated analytically. The matrix elements of the exchange-correlation potential are computed numerically. The total energy, the binding energy, the equilibrium distance, vibrational frequency, and the ground-state configurations are reported and compared with other calculations and experimental results

  12. Extending the random-phase approximation for electronic correlation energies: the renormalized adiabatic local density approximation

    DEFF Research Database (Denmark)

    Olsen, Thomas; Thygesen, Kristian S.

    2012-01-01

    The adiabatic connection fluctuation-dissipation theorem with the random phase approximation (RPA) has recently been applied with success to obtain correlation energies of a variety of chemical and solid state systems. The main merit of this approach is the improved description of dispersive forces...... while chemical bond strengths and absolute correlation energies are systematically underestimated. In this work we extend the RPA by including a parameter-free renormalized version of the adiabatic local-density (ALDA) exchange-correlation kernel. The renormalization consists of a (local) truncation...... of the ALDA kernel for wave vectors q > 2kF, which is found to yield excellent results for the homogeneous electron gas. In addition, the kernel significantly improves both the absolute correlation energies and atomization energies of small molecules over RPA and ALDA. The renormalization can...

  13. Effects of Density and Impurity on Edge Localized Modes in Tokamaks

    Science.gov (United States)

    Zhu, Ping

    2017-10-01

    Plasma density and impurity concentration are believed to be two of the key elements governing the edge tokamak plasma conditions. Optimal levels of plasma density and impurity concentration in the edge region have been searched for in order to achieve the desired fusion gain and divertor heat/particle load mitigation. However, how plasma density or impurity would affect the edge pedestal stability may have not been well known. Our recent MHD theory modeling and simulations using the NIMROD code have found novel effects of density and impurity on the dynamics of edge-localized modes (ELMs) in tokamaks. First, previous MHD analyses often predict merely a weak stabilizing effect of toroidal flow on ELMs in experimentally relevant regimes. We find that the stabilizing effects on the high- n ELMs from toroidal flow can be significantly enhanced with the increased edge plasma density. Here n denotes the toroidal mode number. Second, the stabilizing effects of the enhanced edge resistivity due to lithium-conditioning on the low- n ELMs in the high confinement (H-mode) discharges in NSTX have been identified. Linear stability analysis of the experimentally constrained equilibrium suggests that the change in the equilibrium plasma density and pressure profiles alone due to lithium-conditioning may not be sufficient for a complete suppression of the low- n ELMs. The enhanced resistivity due to the increased effective electric charge number Zeff after lithium-conditioning provides additional stabilization of the low- n ELMs. These new effects revealed in our theory analyses may help further understand recent ELM experiments and suggest new control schemes for ELM suppression and mitigation in future experiments. They may also pose additional constraints on the optimal levels of plasma density and impurity concentration in the edge region for H-mode tokamak operation. Supported by National Magnetic Confinement Fusion Science Program of China Grants 2014GB124002 and 2015GB

  14. Theoretical studies of defects in insulators within the framework of the local density approximation

    International Nuclear Information System (INIS)

    Pederson, M.R.; Klein, B.M.

    1989-01-01

    The muffin-tin Green's function method and a linear combination of atomic orbitals cluster method for defect studies are discussed. These methods have been used to carry out calculations on F-like centers in MgO, CaO and LiF. Although the local density approximation leads to qualitatively correct information pertaining to the occupied states, in addition to the usual perfect-crystal band gap problem, the unoccupied defect levels are found to lie above the onset of the conducting band, in disagreement with the experimental measurements. Results using two methods for incorporating many-electron corrections into an LDA-like computational algorithm are discussed. These methods are the 'scissor-operator' approach to the band gap problem, and the self-interaction-correction (SIC) framework for improving the local spin density approximation. SIC results for the defect excitation spectra are in very good agreement with experiment. This method, when fully developed, should give an excellent ab initio description of defects in insulators. (author) 29 refs., 3 figs., 1 tab

  15. Relativistic time-dependent local-density approximation theory and applications to atomic physics

    International Nuclear Information System (INIS)

    Parpia, F.Z.

    1984-01-01

    A time-dependent linear-response theory appropriate to the relativistic local-density approximation (RLDA) to quantum electrodynamics (QED) is developed. The resulting theory, the relativistic time-dependent local-density approximation (RTDLDA) is specialized to the treatment of electric excitations in closed-shell atoms. This formalism is applied to the calculation of atomic photoionization parameters in the dipole approximation. The static-field limit of the RTDLDA is applied to the calculation of dipole polarizabilities. Extensive numerical calculations of the photoionization parameters for the rare gases neon, argon, krypton, and xenon, and for mercury from the RTDLDA are presented and compared in detail with the results of other theories, in particular the relativistic random-phase approximation (RRPA), and with experimental measurements. The predictions of the RTDLDA are comparable with the RRPA calculations made to date. This is remarkable in that the RTDLDA entails appreciably less computational effort. Finally, the dipole polarizabilities predicted by the static-field RTDLDA are compared with other determinations of these quantities. In view of its simplicity, the static-field RTDLDA demonstrates itself to be one of the most powerful theories available for the calculation of dipole polarizabilities

  16. Global hybrids from the semiclassical atom theory satisfying the local density linear response.

    Science.gov (United States)

    Fabiano, Eduardo; Constantin, Lucian A; Cortona, Pietro; Della Sala, Fabio

    2015-01-13

    We propose global hybrid approximations of the exchange-correlation (XC) energy functional which reproduce well the modified fourth-order gradient expansion of the exchange energy in the semiclassical limit of many-electron neutral atoms and recover the full local density approximation (LDA) linear response. These XC functionals represent the hybrid versions of the APBE functional [Phys. Rev. Lett. 2011, 106, 186406] yet employing an additional correlation functional which uses the localization concept of the correlation energy density to improve the compatibility with the Hartree-Fock exchange as well as the coupling-constant-resolved XC potential energy. Broad energetic and structural testing, including thermochemistry and geometry, transition metal complexes, noncovalent interactions, gold clusters and small gold-molecule interfaces, as well as an analysis of the hybrid parameters, show that our construction is quite robust. In particular, our testing shows that the resulting hybrid, including 20% of Hartree-Fock exchange and named hAPBE, performs remarkably well for a broad palette of systems and properties, being generally better than popular hybrids (PBE0 and B3LYP). Semiempirical dispersion corrections are also provided.

  17. New correlation potential for the local-spin-density functional formalism. II

    International Nuclear Information System (INIS)

    Kolar, M.; Farkas, L.

    1982-01-01

    Using the new parameterization for the correlation potential which seems to be the best that is at present available within the local-spin-density (LSD) functional formalism, the Fermi contact term in light atoms (up to Ni) is calculated. Although the overall improvement of the previous LSD results is obtained, discrepancy between theory and experiment remains rather large. It seems that the local approximation for exchange and correlation fails to predict such quantities as magnetic-moment density near the nucleus. It is also shown that the self-interaction correction does not remedy this failure. Further, the effect of the nonzero nuclear radius is investigated and found to be most important in the lightest atoms (e.g. a factor of 0.664 appears in the case of Li). This fact was omitted in all previous calculations and throws doubt on the reported excellent agreement of the results of many-body perturbation theory with experiment. It was also verified that the contact approximation of the Fermi contact term is really good enough. (author)

  18. Self-Attractive Hartree Decomposition: Partitioning Electron Density into Smooth Localized Fragments.

    Science.gov (United States)

    Zhu, Tianyu; de Silva, Piotr; Van Voorhis, Troy

    2018-01-09

    Chemical bonding plays a central role in the description and understanding of chemistry. Many methods have been proposed to extract information about bonding from quantum chemical calculations, the majority of them resorting to molecular orbitals as basic descriptors. Here, we present a method called self-attractive Hartree (SAH) decomposition to unravel pairs of electrons directly from the electron density, which unlike molecular orbitals is a well-defined observable that can be accessed experimentally. The key idea is to partition the density into a sum of one-electron fragments that simultaneously maximize the self-repulsion and maintain regular shapes. This leads to a set of rather unusual equations in which every electron experiences self-attractive Hartree potential in addition to an external potential common for all the electrons. The resulting symmetry breaking and localization are surprisingly consistent with chemical intuition. SAH decomposition is also shown to be effective in visualization of single/multiple bonds, lone pairs, and unusual bonds due to the smooth nature of fragment densities. Furthermore, we demonstrate that it can be used to identify specific chemical bonds in molecular complexes and provides a simple and accurate electrostatic model of hydrogen bonding.

  19. Study of local response effects in interatomic collisions with two active electrons in the framework of time-dependent density functional theory; Untersuchung lokaler Responseffekte in interatomaren Stoessen mit zwei aktiven Elektronen im Rahmen zeitabhaengiger Dichtefunktionaltheorie

    Energy Technology Data Exchange (ETDEWEB)

    Keim, M.

    2005-07-01

    In the present thesis response effects in interatomic collisions with two active electrons are studied in the range of non-relativistic collision energies. The starting point is the mapping of the time-dependent interacting many-electron sytem on an effective one-particle picture on the base of the time-dependent density functional theory (TDDFT). By means of the basis generator method the one-particle equations aring in the framework of the TDDFT concept are solved in a finite-dimensional model space. In the study of ionization cross section in the collisional systeem anti p+He it is shown that by response effects an essential diminuishing of the cross sections in comparison to the no-response case is reached. Analoguously the ionization cross sections for the collisional systems p-He, He{sup 2+}-He, Li{sup 3+}-He and p-Li{sup +} behave.

  20. Quasiparticle density of states, localization, and distributed disorder in the cuprate superconductors

    Science.gov (United States)

    Sulangi, Miguel Antonio; Zaanen, Jan

    2018-04-01

    We explore the effects of various kinds of random disorder on the quasiparticle density of states of two-dimensional d -wave superconductors using an exact real-space method, incorporating realistic details known about the cuprates. Random on-site energy and pointlike unitary impurity models are found to give rise to a vanishing DOS at the Fermi energy for narrow distributions and low concentrations, respectively, and lead to a finite, but suppressed, DOS at unrealistically large levels of disorder. Smooth disorder arising from impurities located away from the copper-oxide planes meanwhile gives rise to a finite DOS at realistic impurity concentrations. For the case of smooth disorder whose average potential is zero, a resonance is found at zero energy for the quasiparticle DOS at large impurity concentrations. We discuss the implications of these results on the computed low-temperature specific heat, the behavior of which we find is strongly affected by the amount of disorder present in the system. We also compute the localization length as a function of disorder strength for various types of disorder and find that intermediate- and high-energy states are quasiextended for low disorder, and that states near the Fermi energy are strongly localized and have a localization length that exhibits an unusual dependence on the amount of disorder. We comment on the origin of disorder in the cuprates and provide constraints on these based on known results from scanning tunneling spectroscopy and specific heat experiments.

  1. Density functional representation of quantum chemistry. II. Local quantum field theories of molecular matter in terms of the charge density operator do not work

    International Nuclear Information System (INIS)

    Primas, H.; Schleicher, M.

    1975-01-01

    A comprehensive review of the attempts to rephrase molecular quantum mechanics in terms of the particle density operator and the current density or phase density operator is given. All pertinent investigations which have come to attention suffer from severe mathematical inconsistencies and are not adequate to the few-body problem of quantum chemistry. The origin of the failure of these attempts is investigated, and it is shown that a realization of a local quantum field theory of molecular matter in terms of observables would presuppose the solution of many highly nontrivial mathematical problems

  2. Localization of endocardial ectopic activity by means of noninvasive endocardial surface current density reconstruction

    Energy Technology Data Exchange (ETDEWEB)

    Lai Dakun; Liu Chenguang; Eggen, Michael D; He Bin [Department of Biomedical Engineering, University of Minnesota, MN (United States); Iaizzo, Paul A, E-mail: binhe@umn.edu [Department of Surgery, University of Minnesota, MN (United States)

    2011-07-07

    Localization of the source of cardiac ectopic activity has direct clinical benefits for determining the location of the corresponding ectopic focus. In this study, a recently developed current-density (CD)-based localization approach was experimentally evaluated in noninvasively localizing the origin of the cardiac ectopic activity from body-surface potential maps (BSPMs) in a well-controlled experimental setting. The cardiac ectopic activities were induced in four well-controlled intact pigs by single-site pacing at various sites within the left ventricle (LV). In each pacing study, the origin of the induced ectopic activity was localized by reconstructing the CD distribution on the endocardial surface of the LV from the measured BSPMs and compared with the estimated single moving dipole (SMD) solution and precise pacing site (PS). Over the 60 analyzed beats corresponding to ten pacing sites (six for each), the mean and standard deviation of the distance between the locations of maximum CD value and the corresponding PSs were 16.9 mm and 4.6 mm, respectively. In comparison, the averaged distance between the SMD locations and the corresponding PSs was slightly larger (18.4 {+-} 3.4 mm). The obtained CD distribution of activated sources extending from the stimulus site also showed high consistency with the endocardial potential maps estimated by a minimally invasive endocardial mapping system. The present experimental results suggest that the CD method is able to locate the approximate site of the origin of a cardiac ectopic activity, and that the distribution of the CD can portray the propagation of early activation of an ectopic beat.

  3. Using features of local densities, statistics and HMM toolkit (HTK for offline Arabic handwriting text recognition

    Directory of Open Access Journals (Sweden)

    El Moubtahij Hicham

    2017-12-01

    Full Text Available This paper presents an analytical approach of an offline handwritten Arabic text recognition system. It is based on the Hidden Markov Models (HMM Toolkit (HTK without explicit segmentation. The first phase is preprocessing, where the data is introduced in the system after quality enhancements. Then, a set of characteristics (features of local densities and features statistics are extracted by using the technique of sliding windows. Subsequently, the resulting feature vectors are injected to the Hidden Markov Model Toolkit (HTK. The simple database “Arabic-Numbers” and IFN/ENIT are used to evaluate the performance of this system. Keywords: Hidden Markov Models (HMM Toolkit (HTK, Sliding windows

  4. Local density of states and order parameter configurations in layered ferromagnet-superconductor structures

    Energy Technology Data Exchange (ETDEWEB)

    Halterman, Klaus [Physics and Computational Sciences, Research and Engineering Sciences Department, Naval Air Warfare Center, China Lake, CA 93555 (United States)]. E-mail: klaus.halterman@navy.mil; Valls, Oriol T. [School of Physics and Astronomy and Minnesota Supercomputer Institute, University of Minnesota, Minneapolis, MN 55455 (United States)]. E-mail: otvalls@umn.edu

    2005-04-01

    We analyze the local density of states (LDOS) of heterostructures consisting of alternating ferromagnet, F, and superconductor, S, layers. We consider structures of the SFS and SFSFSFS type, with thin nanometer scale F and S layers, within the ballistic regime. The spin-splitting effects of the ferromagnet and the mutual coupling between the S regions, yield several nontrivial stable and metastable pair amplitude configurations, and we find that the details of the spatial behavior of the pair amplitude govern the calculated electronic spectra. These are reflected in discernible signatures of the LDOS. The roles that the magnetic exchange energy, interface scattering strength, and the Fermi wavevector mismatch each have on the LDOS for the different allowed junction configurations, are systematically investigated.

  5. Towards a Density Functional Theory Exchange-Correlation Functional able to describe localization/delocalization

    Science.gov (United States)

    Mattsson, Ann E.; Wills, John M.

    2013-03-01

    The inability to computationally describe the physics governing the properties of actinides and their alloys is the poster child of failure of existing Density Functional Theory exchange-correlation functionals. The intricate competition between localization and delocalization of the electrons, present in these materials, exposes the limitations of functionals only designed to properly describe one or the other situation. We will discuss the manifestation of this competition in real materials and propositions on how to construct a functional able to accurately describe properties of these materials. I addition we will discuss both the importance of using the Dirac equation to describe the relativistic effects in these materials, and the connection to the physics of transition metal oxides. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  6. The Local Dark Matter Density from SDSS-SEGUE G-dwarfs

    Science.gov (United States)

    Sivertsson, S.; Silverwood, H.; Read, J. I.; Bertone, G.; Steger, P.

    2018-04-01

    We derive the local dark matter density by applying the integrated Jeans equation method from Silverwood et al. (2016) to SDSS-SEGUE G-dwarf data processed and presented by Büdenbender et al. (2015).. We use the MULTINEST Bayesian nested sampling software to fit a model for the baryon distribution, dark matter and tracer stars, including a model for the `tilt term' that couples the vertical and radial motions, to the data. The α-young population from Büdenbender et al. (2015) yields the most reliable result of ρ _dm= 0.46^{+0.07}_{-0.08} {GeV cm}^{-3}= 0.012^{+0.002}_{-0.002} M_⊙ pc^{-3}. Our analyses yield inconsistent results for the α-young and α-old data, pointing to problems in the tilt term and its modelling, the data itself, the assumption of a flat rotation curve, or the effects of disequilibria.

  7. Local density of states and order parameter configurations in layered ferromagnet-superconductor structures

    International Nuclear Information System (INIS)

    Halterman, Klaus; Valls, Oriol T.

    2005-01-01

    We analyze the local density of states (LDOS) of heterostructures consisting of alternating ferromagnet, F, and superconductor, S, layers. We consider structures of the SFS and SFSFSFS type, with thin nanometer scale F and S layers, within the ballistic regime. The spin-splitting effects of the ferromagnet and the mutual coupling between the S regions, yield several nontrivial stable and metastable pair amplitude configurations, and we find that the details of the spatial behavior of the pair amplitude govern the calculated electronic spectra. These are reflected in discernible signatures of the LDOS. The roles that the magnetic exchange energy, interface scattering strength, and the Fermi wavevector mismatch each have on the LDOS for the different allowed junction configurations, are systematically investigated

  8. Broadband enhancement of local density of states using silicon-compatible hyperbolic metamaterials

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yu; Inampudi, Sandeep; Capretti, Antonio [Department of Electrical and Computer Engineering and Photonics Center, Boston University, 8 Saint Mary' s Street Boston, Massachusetts 02215 (United States); Sugimoto, Hiroshi [Department of Electrical and Computer Engineering and Photonics Center, Boston University, 8 Saint Mary' s Street Boston, Massachusetts 02215 (United States); Department of Electrical and Electronic Engineering, Graduate School of Engineering, Kobe University, Rokkodai, Nada, Kobe 657-8501 (Japan); Fujii, Minoru [Department of Electrical and Electronic Engineering, Graduate School of Engineering, Kobe University, Rokkodai, Nada, Kobe 657-8501 (Japan); Dal Negro, Luca, E-mail: dalnegro@bu.edu [Department of Electrical and Computer Engineering and Photonics Center, Boston University, 8 Saint Mary' s Street Boston, Massachusetts 02215 (United States); Division of Materials Science and Engineering, Boston University, 15 Saint Mary' s Street, Brookline, Massachusetts 02446 (United States)

    2015-06-15

    Light emitting silicon quantum dots by colloidal synthesis were uniformly spin-coated into a 20 nm-thick film and deposited atop a hyperbolic metamaterial of alternating TiN and SiO{sub 2} sub-wavelength layers. Using steady-state and time-resolved photoluminescence spectroscopy as a function of the emission wavelength in partnership with rigorous electromagnetic modeling of dipolar emission, we demonstrate enhanced Local Density of States and coupling to high-k modes in a broad spectral range. These findings provide an alternative approach for the engineering of novel Si-compatible broadband sources that leverage the control of radiative transitions in hyperbolic metamaterials and the flexibility of the widespread Si platform.

  9. Local Fitting of the Kohn-Sham Density in a Gaussian and Plane Waves Scheme for Large-Scale Density Functional Theory Simulations.

    Science.gov (United States)

    Golze, Dorothea; Iannuzzi, Marcella; Hutter, Jürg

    2017-05-09

    A local resolution-of-the-identity (LRI) approach is introduced in combination with the Gaussian and plane waves (GPW) scheme to enable large-scale Kohn-Sham density functional theory calculations. In GPW, the computational bottleneck is typically the description of the total charge density on real-space grids. Introducing the LRI approximation, the linear scaling of the GPW approach with respect to system size is retained, while the prefactor for the grid operations is reduced. The density fitting is an O(N) scaling process implemented by approximating the atomic pair densities by an expansion in one-center fit functions. The computational cost for the grid-based operations becomes negligible in LRIGPW. The self-consistent field iteration is up to 30 times faster for periodic systems dependent on the symmetry of the simulation cell and on the density of grid points. However, due to the overhead introduced by the local density fitting, single point calculations and complete molecular dynamics steps, including the calculation of the forces, are effectively accelerated by up to a factor of ∼10. The accuracy of LRIGPW is assessed for different systems and properties, showing that total energies, reaction energies, intramolecular and intermolecular structure parameters are well reproduced. LRIGPW yields also high quality results for extended condensed phase systems such as liquid water, ice XV, and molecular crystals.

  10. Aberrant patterns of local and long-range functional connectivity densities in schizophrenia.

    Science.gov (United States)

    Liu, Chuanxin; Zhang, Wei; Chen, Guangdong; Tian, Hongjun; Li, Jie; Qu, Hongru; Cheng, Langlang; Zhu, Jingjing; Zhuo, Chuanjun

    2017-07-18

    Schizophrenia is a disorder of brain dysconnectivity, and both the connection strength and connection number are disrupted in patients with schizophrenia. The functional connectivity density (FCD) can reflect alterations in the connection number. Alterations in the global FCD (gFCD) in schizophrenia were previously demonstrated; however, alterations in two other indices of the pathological characteristics of the brain, local FCD (lFCD) and long-range FCD (lrFCD), have not been revealed. To investigate lFCD and lrFCD alterations in patients with schizophrenia, 95 patients and 93 matched healthy controls were examined using structural and resting-state functional magnetic resonance imaging scanning. lFCD and lrFCD were measured using FCD mapping, and differences were identified using a two-sample t-test in a voxel-wise manner, with age and gender considered to increase variability. Multiple comparisons were performed using a false discovery rate method with a corrected threshold of Pschizophrenia is a disorder of brain dysconnectivity, particularly affecting the local functional connectivity network, and support the hypothesis that schizophrenia is associated with a widespread cortical functional connectivity/activity deficit, with hyper- and/or hypo-connectivity/activity coexisting in some cortical or subcortical regions.

  11. Interpreting dark matter direct detection independently of the local velocity and density distribution

    International Nuclear Information System (INIS)

    Fox, Patrick J.; Kribs, Graham D.; Tait, Tim M. P.

    2011-01-01

    We demonstrate precisely what particle physics information can be extracted from a single direct detection observation of dark matter while making absolutely no assumptions about the local velocity distribution and local density of dark matter. Our central conclusions follow from a very simple observation: the velocity distribution of dark matter is positive definite, f(v)≥0. We demonstrate the utility of this result in several ways. First, we show a falling deconvoluted recoil spectrum (deconvoluted of the nuclear form factor), such as from ordinary elastic scattering, can be 'mocked up' by any mass of dark matter above a kinematic minimum. As an example, we show that dark matter much heavier than previously considered can explain the CoGeNT excess. Specifically, m χ Ge can be in just as good agreement as light dark matter, while m χ >m Ge depends on understanding the sensitivity of xenon to dark matter at very low recoil energies, E R < or approx. 6 keVnr. Second, we show that any rise in the deconvoluted recoil spectrum represents distinct particle physics information that cannot be faked by an arbitrary f(v). As examples of resulting nontrivial particle physics, we show that inelastic dark matter and dark matter with a form factor can both yield such a rise.

  12. Dust Absorption and the Ultraviolet Luminosity Density at z ~ 3 as Calibrated by Local Starburst Galaxies

    Science.gov (United States)

    Meurer, Gerhardt R.; Heckman, Timothy M.; Calzetti, Daniela

    1999-08-01

    We refine a technique to measure the absorption-corrected ultraviolet (UV) luminosity of starburst galaxies using rest-frame UV quantities alone and apply it to Lyman-limit U dropouts at z~3 found in the Hubble Deep Field (HDF). The method is based on an observed correlation between the ratio of far-infrared (FIR) to UV fluxes with spectral slope β (a UV color). A simple fit to this relation allows the UV flux absorbed by dust and reprocessed to the FIR to be calculated, and hence the dust-free UV luminosity to be determined. International Ultraviolet Explorer spectra and Infrared Astronomical Satellite fluxes of local starbursts are used to calibrate the FFIR/F1600 versus β relation in terms of A1600 (the dust absorption at 1600 Å) and the transformation from broadband photometric color to β. Both calibrations are almost completely independent of theoretical stellar-population models. We show that the recent marginal and nondetections of HDF U dropouts at radio and submillimeter wavelengths are consistent with their assumed starburst nature and our calculated A1600. This is also true of recent observations of the ratio of optical emission-line flux to UV flux density in the brightest U dropouts. This latter ratio turns out not to be a good indicator of dust extinction. In U dropouts, absolute magnitude M1600,0 correlates with β: brighter galaxies are redder, as is observed to be the case for local starburst galaxies. This suggests that a mass-metallicity relationship is already in place at z~3. The absorption-corrected UV luminosity function of U dropouts extends up to M1600,0~-24 AB mag, corresponding to a star formation rate ~200 \\Mscrsolar yr-1 (H0=50 km s-1 Mpc-3 and q0=0.5 are assumed throughout). The absorption-corrected UV luminosity density at z~3 is ρ1600,0>=1.4×1027 ergs-1 Hz-1 Mpc-1. It is still a lower limit since completeness corrections have not been done and because only galaxies with A1600dropouts. The luminosity-weighted mean dust

  13. Spin and orbital magnetism of coinage metal trimers (Cu3, Ag3, Au3: A relativistic density functional theory study

    Directory of Open Access Journals (Sweden)

    Mahdi Afshar

    2013-11-01

    Full Text Available We have demonstrated electronic structure and magnetic properties of Cu3, Ag3 and Au3 trimers using a full potential local orbital method in the framework of relativistic density functional theory. We have also shown that the non-relativistic generalized gradient approximation for the exchange-correlation energy functional gives reliable magnetic properties in coinage metal trimers compared to experiment. In addition we have indicated that the spin-orbit coupling changes the structure and magnetic properties of gold trimer while the structure and magnetic properties of copper and silver trimers are marginally affected. A significant orbital moment of 0.21μB was found for most stable geometry of the gold trimer whereas orbital magnetism is almost quenched in the copper and silver trimers.

  14. Localized electron density enhancements in the high-altitude polar ionosphere and their relationships with storm-enhanced density (SED plumes and polar tongues of ionization (TOI

    Directory of Open Access Journals (Sweden)

    Y. Kitanoya

    2011-02-01

    Full Text Available Events of localized electron density increase in the high-altitude (>3000 km polar ionosphere are occasionally identified by the thermal plasma instruments on the Akebono satellite. In this paper, we investigate the vertical density structure in one of such events in detail using simultaneous observations by the Akebono and DMSP F15 satellites, the SuperDARN radars, and a network of ground Global Positioning System (GPS receivers, and the statistical characteristics of a large number (>10 000 of such events using Akebono data over half of an 11-year solar cycle. At Akebono altitude, the parallel drift velocity is remarkably low and the O+ ion composition ratio remarkably high, inside the high plasma-density regions at high altitude. Detailed comparisons between Akebono, DMSP ion velocity and density, and GPS total electron content (TEC data suggest that the localized plasma density increase observed at high altitude on Akebono was likely connected with the polar tongue of ionization (TOI and/or storm enhanced density (SED plume observed in the F-region ionosphere. Together with the SuperDARN plasma convection map these data suggest that the TOI/SED plume penetrated into the polar cap due to anti-sunward convection and the plume existed in the same convection channel as the dense plasma at high altitude; in other words, the two were probably connected to each other by the convecting magnetic field lines. The observed features are consistent with the observed high-density plasma being transported from the mid-latitude ionosphere or plasmasphere and unlikely a part of the polar wind population.

  15. Influence of Electrolyte Modulus on the Local Current Density at a Dendrite Tip on a Lithium Metal Electrode

    Energy Technology Data Exchange (ETDEWEB)

    Harry, KJ; Higa, K; Srinivasan, V; Balsara, NP

    2016-08-10

    Understanding and controlling the electrochemical deposition of lithium is imperative for the safe use of rechargeable batteries with a lithium metal anode. Solid block copolymer electrolyte membranes are known to enhance the stability of lithium metal anodes by mechanically suppressing the formation of lithium protrusions during battery charging. Time-resolved hard X-ray microtomography was used to monitor the internal structure of a symmetric lithium-polymer cell during galvanostatic polarization. The microtomography images were used to determine the local rate of lithium deposition, i.e. local current density, in the vicinity of a lithium globule growing through the electrolyte. Measurements of electrolyte displacement enabled estimation of local stresses in the electrolyte. At early times, the current density was maximized at the globule tip, as expected from simple current distribution arguments. At later times, the current density was maximized at the globule perimeter. We show that this phenomenon is related to the local stress fields that arise as the electrolyte is deformed. The local current density, normalized for the radius of curvature, decreases with increasing compressive stresses at the lithium-polymer interface. To our knowledge, our study provides the first direct measurement showing the influence of local mechanical stresses on the deposition kinetics at lithium metal electrodes.

  16. 2D image of local density and magnetic fluctuations from line-integrated interferometry-polarimetry measurements.

    Science.gov (United States)

    Lin, L; Ding, W X; Brower, D L

    2014-11-01

    Combined polarimetry-interferometry capability permits simultaneous measurement of line-integrated density and Faraday effect with fast time response (∼1 μs) and high sensitivity. Faraday effect fluctuations with phase shift of order 0.05° associated with global tearing modes are resolved with an uncertainty ∼0.01°. For physics investigations, local density fluctuations are obtained by inverting the line-integrated interferometry data. The local magnetic and current density fluctuations are then reconstructed using a parameterized fit of the polarimetry data. Reconstructed 2D images of density and magnetic field fluctuations in a poloidal cross section exhibit significantly different spatial structure. Combined with their relative phase, the magnetic-fluctuation-induced particle transport flux and its spatial distribution are resolved.

  17. 2D image of local density and magnetic fluctuations from line-integrated interferometry-polarimetry measurements

    International Nuclear Information System (INIS)

    Lin, L.; Ding, W. X.; Brower, D. L.

    2014-01-01

    Combined polarimetry-interferometry capability permits simultaneous measurement of line-integrated density and Faraday effect with fast time response (∼1 μs) and high sensitivity. Faraday effect fluctuations with phase shift of order 0.05° associated with global tearing modes are resolved with an uncertainty ∼0.01°. For physics investigations, local density fluctuations are obtained by inverting the line-integrated interferometry data. The local magnetic and current density fluctuations are then reconstructed using a parameterized fit of the polarimetry data. Reconstructed 2D images of density and magnetic field fluctuations in a poloidal cross section exhibit significantly different spatial structure. Combined with their relative phase, the magnetic-fluctuation-induced particle transport flux and its spatial distribution are resolved

  18. Calculations with the quasirelativistic local-spin-density-functional theory for high-Z atoms

    International Nuclear Information System (INIS)

    Guo, Y.; Whitehead, M.A.

    1988-01-01

    The generalized-exchange local-spin-density-functional theory (LSD-GX) with relativistic corrections of the mass velocity and Darwin terms has been used to calculate statistical total energies for the neutral atoms, the positive ions, and the negative ions for high-Z elements. The effect of the correlation and relaxation correction on the statistical total energy is discussed. Comparing the calculated results for the ionization potentials and electron affinities for the atoms (atomic number Z from 37 to 56 and 72 to 80) with experiment, shows that for the atoms rubidium to barium both the LSD-GX and the quasirelativistic LSD-GX, with self-interaction correction, Gopinathan, Whitehead, and Bogdanovic's Fermi-hole parameters [Phys. Rev. A 14, 1 (1976)], and Vosko, Wilk, and Nusair's correlation correction [Can. J. Phys. 58, 1200 (1980)], are very good methods for calculating ionization potentials and electron affinities. For the atoms hafnium to mercury the relativistic effect has to be considered

  19. Modulation of electromagnetic local density of states by coupling of surface phonon-polariton

    Science.gov (United States)

    Li, Yao; Zhang, Chao-Jie; Wang, Tong-Biao; Liu, Jiang-Tao; Yu, Tian-Bao; Liao, Qing-Hua; Liu, Nian-Hua

    2017-02-01

    We studied the electromagnetic local density of state (EM-LDOS) near the surface of a one-dimensional multilayer structure (1DMS) alternately stacked by SiC and Si. EM-LDOS of a semi-infinite bulk appears two intrinsic peaks due to the resonance of surface phonon-polariton (SPhP) in SiC. In contrast with that of SiC bulk, SPhP can exist at the interface of SiC and Si for the 1DMS. The SPhPs from different interfaces can couple together, which can lead to a significant modulation of EM-LDOS. When the component widths of 1DMS are large, the spectrum of EM-LDOS exhibits oscillation behavior in the frequency regime larger than the resonance frequency of SPhP. While the component widths are small, due to the strong coupling of SPhPs, another peak appears in the EM-LDOS spectrum besides the two intrinsic ones. And the position of the new peak move toward high frequency when the width ratio of SiC and Si increases. The influences of distance from the surfaces and period of 1DMS on EM-LDOS have also been studied in detail. The results are helpful in studying the near-field radiative heat transfer and spontaneous emission.

  20. Self-consistent description of local density dynamics in simple liquids. The case of molten lithium.

    Science.gov (United States)

    Mokshin, A V; Galimzyanov, B N

    2018-02-28

    The dynamic structure factor is the quantity, which can be measured by means of Brillouin light-scattering as well as by means of inelastic scattering of neutrons and x-rays. The spectral (or frequency) moments of the dynamic structure factor define directly the sum rules of the scattering law. The theoretical scheme formulated in this study allows one to describe the dynamics of local density fluctuations in simple liquids and to obtain the expression of the dynamic structure factor in terms of the spectral moments. The theory satisfies all the sum rules, and the obtained expression for the dynamic structure factor yields correct extrapolations into the hydrodynamic limit as well as into the free-particle dynamics limit. We discuss correspondence of this theory with the generalized hydrodynamics and with the viscoelastic models, which are commonly used to analyze the data of inelastic neutron and x-ray scattering in liquids. In particular, we reveal that the postulated condition of the viscoelastic model for the memory function can be directly obtained within the presented theory. The dynamic structure factor of liquid lithium is computed on the basis of the presented theory, and various features of the scattering spectra are evaluated. It is found that the theoretical results are in agreement with inelastic x-ray scattering data.

  1. Self-consistent description of local density dynamics in simple liquids. The case of molten lithium

    Science.gov (United States)

    Mokshin, A. V.; Galimzyanov, B. N.

    2018-02-01

    The dynamic structure factor is the quantity, which can be measured by means of Brillouin light-scattering as well as by means of inelastic scattering of neutrons and x-rays. The spectral (or frequency) moments of the dynamic structure factor define directly the sum rules of the scattering law. The theoretical scheme formulated in this study allows one to describe the dynamics of local density fluctuations in simple liquids and to obtain the expression of the dynamic structure factor in terms of the spectral moments. The theory satisfies all the sum rules, and the obtained expression for the dynamic structure factor yields correct extrapolations into the hydrodynamic limit as well as into the free-particle dynamics limit. We discuss correspondence of this theory with the generalized hydrodynamics and with the viscoelastic models, which are commonly used to analyze the data of inelastic neutron and x-ray scattering in liquids. In particular, we reveal that the postulated condition of the viscoelastic model for the memory function can be directly obtained within the presented theory. The dynamic structure factor of liquid lithium is computed on the basis of the presented theory, and various features of the scattering spectra are evaluated. It is found that the theoretical results are in agreement with inelastic x-ray scattering data.

  2. Local Density of States in a d-wave Superconductor with Stripe-Like Modulations and a Strong Impurity

    OpenAIRE

    Chen, Hong-Yi; Ting, C. S.

    2003-01-01

    Using an effective Hamiltonian with d-wave superconductivity (dSC) and competing antiferromagnetic (AF) interactions, we show that weak and one-dimensionally modulated dSC, spin density wave (SDW) and charge density wave (CDW) could coexist in the ground state configuration. With proper parameters, the SDW order exhibits a period of 8a, while for dSC and CDW orders the period is 4a. The local density of states (LDOS), which probing the behavior of quasiparticle excitations, is found to have t...

  3. On the Impact of Localization and Density Control Algorithms in Target Tracking Applications for Wireless Sensor Networks

    Science.gov (United States)

    Campos, Andre N.; Souza, Efren L.; Nakamura, Fabiola G.; Nakamura, Eduardo F.; Rodrigues, Joel J. P. C.

    2012-01-01

    Target tracking is an important application of wireless sensor networks. The networks' ability to locate and track an object is directed linked to the nodes' ability to locate themselves. Consequently, localization systems are essential for target tracking applications. In addition, sensor networks are often deployed in remote or hostile environments. Therefore, density control algorithms are used to increase network lifetime while maintaining its sensing capabilities. In this work, we analyze the impact of localization algorithms (RPE and DPE) and density control algorithms (GAF, A3 and OGDC) on target tracking applications. We adapt the density control algorithms to address the k-coverage problem. In addition, we analyze the impact of network density, residual integration with density control, and k-coverage on both target tracking accuracy and network lifetime. Our results show that DPE is a better choice for target tracking applications than RPE. Moreover, among the evaluated density control algorithms, OGDC is the best option among the three. Although the choice of the density control algorithm has little impact on the tracking precision, OGDC outperforms GAF and A3 in terms of tracking time. PMID:22969329

  4. Local density of optical states in the band gap of a finite one-dimensional photonic crystal

    NARCIS (Netherlands)

    Yeganegi Dastgerdi, Elahe; Lagendijk, Aart; Mosk, Allard; Vos, Willem L.

    2014-01-01

    We study the local density of states (LDOS) in a finite photonic crystal, in particular in the frequency range of the band gap. We propose an original point of view on the band gap, which we consider to be the result of vacuum fluctuations in free space that tunnel in the forbidden range in the

  5. Time-resolved cathodoluminescence microscopy with sub-nanosecond beam blanking for direct evaluation of the local density of states

    NARCIS (Netherlands)

    Moerland, R.J.; Weppelman, I.G.C.; Garming, M.W.H.; Kruit, P.; Hoogenboom, J.P.

    2016-01-01

    We show cathodoluminescence-based time-resolved electron beam spectroscopy in order to directly probe the spontaneous emission decay rate that is modified by the local density of states in a nanoscale environment. In contrast to dedicated laser-triggered electron-microscopy setups, we use commercial

  6. Quantitative measurements of localized density variations in cylindrical tablets using X-ray microtomography.

    Science.gov (United States)

    Busignies, Virginie; Leclerc, Bernard; Porion, Patrice; Evesque, Pierre; Couarraze, Guy; Tchoreloff, Pierre

    2006-08-01

    Direct compaction is a complex process that results in a density distribution inside the tablets which is often heterogeneous. Therefore, the density variations may affect the compact properties. A quantitative analysis of this phenomenon is still lacking. Recently, X-ray microtomography has been successfully used in pharmaceutical development to study qualitatively the impact of tablet shape and break-line in the density of pharmaceutical tablets. In this study, we evaluate the density profile in microcrystalline cellulose (Vivapur 12) compacts obtained at different mean porosity (ranging from 7.7% to 33.5%) using X-ray tomography technique. First, the validity of the Beer-Lambert law is studied. Then, density calibration is performed and density maps of cylindrical tablets are obtained and visualized using a process with colour-scale calibration plot which is explained. As expected, important heterogeneity in density is observed and quantified. The higher densities in peripheral region were particularly investigated and appraised in regard to the lower densities observed in the middle of the tablet. The results also underlined that in the case of pharmaceutical tablets, it is important to differentiate the mechanical properties representative of the total volume tablet and the mechanical properties that only characterize the tablet surface like the Brinell hardness measurements.

  7. Globally-Optimized Local Pseudopotentials for (Orbital-Free) Density Functional Theory Simulations of Liquids and Solids.

    Science.gov (United States)

    Del Rio, Beatriz G; Dieterich, Johannes M; Carter, Emily A

    2017-08-08

    The accuracy of local pseudopotentials (LPSs) is one of two major determinants of the fidelity of orbital-free density functional theory (OFDFT) simulations. We present a global optimization strategy for LPSs that enables OFDFT to reproduce solid and liquid properties obtained from Kohn-Sham DFT. Our optimization strategy can fit arbitrary properties from both solid and liquid phases, so the resulting globally optimized local pseudopotentials (goLPSs) can be used in solid and/or liquid-phase simulations depending on the fitting process. We show three test cases proving that we can (1) improve solid properties compared to our previous bulk-derived local pseudopotential generation scheme; (2) refine predicted liquid and solid properties by adding force matching data; and (3) generate a from-scratch, accurate goLPS from the local channel of a non-local pseudopotential. The proposed scheme therefore serves as a full and improved LPS construction protocol.

  8. Modeling the growth of individuals in plant populations: local density variation in a strand population of Xanthium strumarium (Asteraceae).

    Science.gov (United States)

    Weiner, J; Kinsman, S; Williams, S

    1998-11-01

    We studied the growth of individual Xanthium strumarium plants growing at four naturally occurring local densities on a beach in Maine: (1) isolated plants, (2) pairs of plants ≤1 cm apart, (3) four plants within 4 cm of each other, and (4) discrete dense clumps of 10-39 plants. A combination of nondestructive measurements every 2 wk and parallel calibration harvests provided very good estimates of the growth in aboveground biomass of over 400 individual plants over 8 wk and afforded the opportunity to fit explicit growth models to 293 of them. There was large individual variation in growth and resultant size within the population and within all densities. Local crowding played a role in determining plant size within the population: there were significant differences in final size between all densities except pairs and quadruples, which were almost identical. Overall, plants growing at higher densities were more variable in growth and final size than plants growing at lower densities, but this was due to increased variation among groups (greater variation in local density and/or greater environmental heterogeneity), not to increased variation within groups. Thus, there was no evidence of size asymmetric competition in this population. The growth of most plants was close to exponential over the study period, but half the plants were slightly better fit by a sigmoidal (logistic) model. The proportion of plants better fit by the logistic model increased with density and with initial plant size. The use of explicit growth models over several growth intervals to describe stand development can provide more biological content and more statistical power than "growth-size" methods that analyze growth intervals separately.

  9. Local electron density measurements in a screw pinch by means of a Michelson interferometer

    International Nuclear Information System (INIS)

    Hoekzema, J.A.; Busch, P.J.; Mastop, W.J.

    1976-06-01

    The time-dependent density profile of a toroidal screw-pinch plasma is determined from successive measurements of the line density along different sections of a line through the plasma. The pathlength is varied by the introduction of a hollow quartz tube into the plasma

  10. Path integrals for electronic densities, reactivity indices, and localization functions in quantum systems.

    Science.gov (United States)

    Putz, Mihai V

    2009-11-10

    The density matrix theory, the ancestor of density functional theory, provides the immediate framework for Path Integral (PI) development, allowing the canonical density be extended for the many-electronic systems through the density functional closure relationship. Yet, the use of path integral formalism for electronic density prescription presents several advantages: assures the inner quantum mechanical description of the system by parameterized paths; averages the quantum fluctuations; behaves as the propagator for time-space evolution of quantum information; resembles Schrödinger equation; allows quantum statistical description of the system through partition function computing. In this framework, four levels of path integral formalism were presented: the Feynman quantum mechanical, the semiclassical, the Feynman-Kleinert effective classical, and the Fokker-Planck non-equilibrium ones. In each case the density matrix or/and the canonical density were rigorously defined and presented. The practical specializations for quantum free and harmonic motions, for statistical high and low temperature limits, the smearing justification for the Bohr's quantum stability postulate with the paradigmatic Hydrogen atomic excursion, along the quantum chemical calculation of semiclassical electronegativity and hardness, of chemical action and Mulliken electronegativity, as well as by the Markovian generalizations of Becke-Edgecombe electronic focalization functions - all advocate for the reliability of assuming PI formalism of quantum mechanics as a versatile one, suited for analytically and/or computationally modeling of a variety of fundamental physical and chemical reactivity concepts characterizing the (density driving) many-electronic systems.

  11. Path Integrals for Electronic Densities, Reactivity Indices, and Localization Functions in Quantum Systems

    Directory of Open Access Journals (Sweden)

    Mihai V. Putz

    2009-11-01

    Full Text Available The density matrix theory, the ancestor of density functional theory, provides the immediate framework for Path Integral (PI development, allowing the canonical density be extended for the many-electronic systems through the density functional closure relationship. Yet, the use of path integral formalism for electronic density prescription presents several advantages: assures the inner quantum mechanical description of the system by parameterized paths; averages the quantum fluctuations; behaves as the propagator for time-space evolution of quantum information; resembles Schrödinger equation; allows quantum statistical description of the system through partition function computing. In this framework, four levels of path integral formalism were presented: the Feynman quantum mechanical, the semiclassical, the Feynman-Kleinert effective classical, and the Fokker-Planck non-equilibrium ones. In each case the density matrix or/and the canonical density were rigorously defined and presented. The practical specializations for quantum free and harmonic motions, for statistical high and low temperature limits, the smearing justification for the Bohr’s quantum stability postulate with the paradigmatic Hydrogen atomic excursion, along the quantum chemical calculation of semiclassical electronegativity and hardness, of chemical action and Mulliken electronegativity, as well as by the Markovian generalizations of Becke-Edgecombe electronic focalization functions – all advocate for the reliability of assuming PI formalism of quantum mechanics as a versatile one, suited for analytically and/or computationally modeling of a variety of fundamental physical and chemical reactivity concepts characterizing the (density driving many-electronic systems.

  12. Local environment and density-dependent feedbacks determine population growth in a forest herb

    DEFF Research Database (Denmark)

    Dahlgren, Johan Petter; Östergård, Hannah; Ehrlén, Johan

    2014-01-01

    Linking spatial variation in environmental factors to variation in demographic rates is essential for a mechanistic understanding of the dynamics of populations. However, we still know relatively little about such links, partly because feedbacks via intraspecific density make them difficult...... to observe in natural populations. We conducted a detailed field study and investigated simultaneous effects of environmental factors and the intraspecific density of individuals on the demography of the herb Lathyrus vernus. In regression models of vital rates we identified effects associated with spring...... shade on survival and growth, while density was negatively correlated with these vital rates. Density was also negatively correlated with average individual size in the study plots, which is consistent with self-thinning. In addition, average plant sizes were larger than predicted by density in plots...

  13. Reexamining the role of prostate specific antigen density in predicting outcome for clinically localized prostate cancer

    International Nuclear Information System (INIS)

    Ingenito, Anthony C.; Ennis, Ronald D.; Hsu, I.-C.; Begg, Melissa; Benson, Mitchell C.; Schiff, Peter B.

    1995-01-01

    Purpose/Objective To evaluate the prognostic significance of prostate specific antigen density (PSAD) in clinically localized prostate cancer treated with external beam radiation therapy and to compare with other prognostic factors. Materials and Methods Between January 1989 and December 1993, 278 patients with clinically localized prostate cancer received definitive radiotherapy using computed tomography (CT) guided conformal technique. Ninety-six patients were excluded on the basis of prior transurethral prostatectomy (n = 40), pretreatment prostate specific antigen (PSA) not evaluable (n = 46), no available treatment planning CT scan (n = 7) or lost to follow-up (n = 3). The records of 182 evaluable patients were retrospectively reviewed. Patient characteristics were as follows: T1, 39; T2, 68; T3, 75. Gleason's score 2-4, 25; 5-6, 68; 7, 40; 8-10, 35; 14 not specified. Pretreatment PSA ≤ 4, 18; 4-10, 54; 10-20, 51; 20-50, 37; > 50, 22. The median PSA was 12.6 ng/ml and median PSAD was 0.3. PSAD was defined as the ratio of the pretreatment serum PSA to the prostate volume measured from CT treatment planning scans by one investigator (A.C.I.). Prostate volumes were calculated using the prolate ellipse formula, i.e. 0.52 (H x L x W). All PSA values were determined using the Hybritech assay. Biochemical failure was defined as two consecutive elevations in PSA separated by at least 3 months and a final PSA value greater than 1 ng/ml. Biochemical disease-free survival (BDFS) was calculated using Kaplan-Meier method and differences between groups were analyzed using the logrank statistic. Multivariate analysis (Cox regression analysis) was used to compare the significance of factors identified on univariate analysis. Median follow-up was 2.1 years. Results In univariate analysis, PSA (p 4, 100%; 4-10, 78%; 10-20, 45%; 20-50, 65%; > 50, 18%. The 3 year BDFS by PSAD was 0.60, 36%. A direct multivariate analysis including PSA and PSAD was not possible due to the high

  14. Combined effects of patch size and plant nutritional quality on local densities of insect herbivores

    NARCIS (Netherlands)

    Bukovinszky, T.; Gols, R.; Kamp, A.; De Oliveira-Domingues, F.; Hambäck, P.A.; Jongema, Y.; Bezemer, T.M.; Dicke, M.; Van Dam, N.M.; Harvey, J.A.

    2010-01-01

    Plant–insect interactions occur in spatially heterogeneous habitats. Understanding how such interactions shape density distributions of herbivores requires knowledge on how variation in plant traits (e.g. nutritional quality) affects herbivore abundance through, for example, affecting movement rates

  15. The impact of edge gradients in the pressure, density, ion temperature, and electron temperature on edge-localized modes

    International Nuclear Information System (INIS)

    Kleva, Robert G.; Guzdar, Parvez N.

    2011-01-01

    The magnitude of the energy and particle fluxes in simulations of edge-localized modes (ELMs) is determined by the edge gradients in the pressure, density, ion temperature, and electron temperature. The total edge pressure gradient is the dominant influence on ELMs by far. An increase (decrease) of merely 2% in the pressure gradient results in an increase (decrease) of more than a factor of ten in the size of the ELM bursts. At a fixed pressure gradient, the size of the ELM bursts decreases as the density gradient increases, while the size of the bursts increases as the electron temperature gradient or, especially, the ion temperature gradient increases.

  16. Direct estimation of functionals of density operators by local operations and classical communication

    International Nuclear Information System (INIS)

    Alves, Carolina Moura; Horodecki, Pawel; Oi, Daniel K. L.; Kwek, L. C.; Ekert, Artur K.

    2003-01-01

    We present a method of direct estimation of important properties of a shared bipartite quantum state, within the ''distant laboratories'' paradigm, using only local operations and classical communication. We apply this procedure to spectrum estimation of shared states, and locally implementable structural physical approximations to incompletely positive maps. This procedure can also be applied to the estimation of channel capacity and measures of entanglement

  17. Spatial distribution of limited resources and local density regulation in juvenile Atlantic salmon.

    Science.gov (United States)

    Finstad, Anders G; Einum, Sigurd; Ugedal, Ola; Forseth, Torbjørn

    2009-01-01

    1. Spatial heterogeneity of resources may influence competition among individuals and thus have a fundamental role in shaping population dynamics and carrying capacity. In the present study, we identify shelter opportunities as a limiting resource for juvenile Atlantic salmon (Salmo salar L.). Experimental and field studies are combined in order to demonstrate how the spatial distribution of shelters may influence population dynamics on both within and among population scales. 2. In closed experimental streams, fish performance scaled negatively with decreasing shelter availability and increasing densities. In contrast, the fish in open stream channels dispersed according to shelter availability and performance of fish remaining in the streams did not depend on initial density or shelters. 3. The field study confirmed that spatial variation in densities of 1-year-old juveniles was governed both by initial recruit density and shelter availability. Strength of density-dependent population regulation, measured as carrying capacity, increased with decreasing number of shelters. 4. Nine rivers were surveyed for spatial variation in shelter availability and increased shelter heterogeneity tended to decrease maximum observed population size (measured using catch statistics of adult salmon as a proxy). 5. Our studies highlight the importance of small-scale within-population spatial structure in population dynamics and demonstrate that not only the absolute amount of limiting resources but also their spatial arrangement can be an important factor influencing population carrying capacity.

  18. Public support for river restoration funding in relation to local river ecomorphology, population density, and mean income

    Science.gov (United States)

    SchläPfer, Felix; Witzig, Pieter-Jan

    2006-12-01

    In 1997, about 140,000 citizens in 388 voting districts in the Swiss canton of Bern passed a ballot initiative to allocate about 3 million Swiss Francs annually to a canton-wide river restoration program. Using the municipal voting returns and a detailed georeferenced data set on the ecomorphological status of the rivers, we estimate models of voter support in relation to local river ecomorphology, population density, mean income, cultural background, and recent flood damage. Support of the initiative increased with increasing population density and tended to increase with increasing mean income, in spite of progressive taxation. Furthermore, we found evidence that public support increased with decreasing "naturalness" of local rivers. The model estimates may be cautiously used to predict the public acceptance of similar restoration programs in comparable regions. Moreover, the voting-based insights into the distribution of river restoration benefits provide a useful starting point for debates about appropriate financing schemes.

  19. Relative Contribution of Matrix Structure, Patch Resources and Management to the Local Densities of Two Large Blue Butterfly Species.

    Science.gov (United States)

    Kajzer-Bonk, Joanna; Skórka, Piotr; Nowicki, Piotr; Bonk, Maciej; Król, Wiesław; Szpiłyk, Damian; Woyciechowski, Michal

    2016-01-01

    The type of matrix, the landscape surrounding habitat patches, may determine the distribution and function of local populations. However, the matrix is often heterogeneous, and its various components may differentially contribute to metapopulation processes at different spatial scales, a phenomenon that has rarely been investigated. The aim of this study was to estimate the relative importance of matrix composition and spatial scale, habitat quality, and management intensity on the occurrence and density of local populations of two endangered large blue butterflies: Phengaris teleius and P. nausithous. Presence and abundance data were assessed over two years, 2011-12, in 100 local patches within two heterogeneous regions (near Kraków and Tarnów, southern Poland). The matrix composition was analyzed at eight spatial scales. We observed high occupancy rates in both species, regions and years. With the exception of area and isolation, almost all of the matrix components contributed to Phengaris sp. densities. The different matrix components acted at different spatial scales (grassland cover within 4 and 3 km, field cover within 0.4 and 0.3 km and water cover within 4 km radii for P. teleius and P. nausithous, respectively) and provided the highest independent contribution to the butterfly densities. Additionally, the effects of a 0.4 km radius of forest cover and a food plant cover on P. teleius, and a 1 km radius of settlement cover and management intensity on P. nausithous densities were observed. Contrary to former studies we conclude that the matrix heterogeneity and spatial scale rather than general matrix type are of relevance for densities of butterflies. Conservation strategies for these umbrella species should concentrate on maintaining habitat quality and managing matrix composition at the most appropriate spatial scales.

  20. Relative Contribution of Matrix Structure, Patch Resources and Management to the Local Densities of Two Large Blue Butterfly Species

    Science.gov (United States)

    Skórka, Piotr; Nowicki, Piotr; Bonk, Maciej; Król, Wiesław; Szpiłyk, Damian; Woyciechowski, Michal

    2016-01-01

    The type of matrix, the landscape surrounding habitat patches, may determine the distribution and function of local populations. However, the matrix is often heterogeneous, and its various components may differentially contribute to metapopulation processes at different spatial scales, a phenomenon that has rarely been investigated. The aim of this study was to estimate the relative importance of matrix composition and spatial scale, habitat quality, and management intensity on the occurrence and density of local populations of two endangered large blue butterflies: Phengaris teleius and P. nausithous. Presence and abundance data were assessed over two years, 2011–12, in 100 local patches within two heterogeneous regions (near Kraków and Tarnów, southern Poland). The matrix composition was analyzed at eight spatial scales. We observed high occupancy rates in both species, regions and years. With the exception of area and isolation, almost all of the matrix components contributed to Phengaris sp. densities. The different matrix components acted at different spatial scales (grassland cover within 4 and 3 km, field cover within 0.4 and 0.3 km and water cover within 4 km radii for P. teleius and P. nausithous, respectively) and provided the highest independent contribution to the butterfly densities. Additionally, the effects of a 0.4 km radius of forest cover and a food plant cover on P. teleius, and a 1 km radius of settlement cover and management intensity on P. nausithous densities were observed. Contrary to former studies we conclude that the matrix heterogeneity and spatial scale rather than general matrix type are of relevance for densities of butterflies. Conservation strategies for these umbrella species should concentrate on maintaining habitat quality and managing matrix composition at the most appropriate spatial scales. PMID:28005942

  1. Combining the modified Skyrme-like model and the local density approximation to determine the symmetry energy of nuclear matter

    Science.gov (United States)

    Liu, Jian; Ren, Zhongzhou; Xu, Chang

    2018-07-01

    Combining the modified Skyrme-like model and the local density approximation model, the slope parameter L of symmetry energy is extracted from the properties of finite nuclei with an improved iterative method. The calculations of the iterative method are performed within the framework of the spherical symmetry. By choosing 200 neutron rich nuclei on 25 isotopic chains as candidates, the slope parameter is constrained to be 50 MeV nuclear matter can be obtained together.

  2. Localization of ionization-induced trapping in a laser wakefield accelerator using a density down-ramp

    CERN Document Server

    Hansson, M.; Ekerfelt, H.; Aurand, B.; Gallardo Ganzalez, I.; Desforges, F. G.; Davoine, X.; Maitrallain, A.; Reymond, S.; Monot, P.; Persson, A.; Dobosz Dufrénoy S.; Wahlström C-G.; Cros, B.; Lundh, O.

    2016-01-01

    We report on a study on controlled trapping of electrons, by field ionization of nitrogen ions, in laser wakefield accelerators in variable length gas cells. In addition to ionization-induced trapping in the density plateau inside the cells, which results in wide, but stable, electron energy spectra, a regime of ionization-induced trapping localized in the density down-ramp at the exit of the gas cells, is found. The resulting electron energy spectra are peaked, with 10% shot-to-shot fluctuations in peak energy. Ionization-induced trapping of electrons in the density down-ramp is a way to trap and accelerate a large number of electrons, thus improving the efficiency of the laser-driven wakefield acceleration.

  3. Density gradient localization of vanadate- and NO-3-sensitive ATPase from sterile cultures of Spirodela polyrrhiza (L. Schleiden

    Directory of Open Access Journals (Sweden)

    Józef Buczek

    2014-01-01

    Full Text Available The present work deals with the separation and some characteristics of ATPase activities bound with plant membanes prepared from sterile cultures of Spirodela polyrrhiza. The membrane-bound ATPases were separated on sucrose gradients and distinguished by membrane density and sensitivity to several inhibitors. The results showed that N0-3-sensitive ATPase activity associated with the tonoplast was localized at a sucrose density between 1.095-1.117 g•cm-3. The vanadate-sensitive ATPase activity bound with the plasma membrane showed a density between 1.127-1.151 g•cm-3. Both ATPases were insensitive to azide and oligomycin and were separable from markers for mitochondria.

  4. Non-relativistic quantum mechanics

    CERN Document Server

    Puri, Ravinder R

    2017-01-01

    This book develops and simplifies the concept of quantum mechanics based on the postulates of quantum mechanics. The text discusses the technique of disentangling the exponential of a sum of operators, closed under the operation of commutation, as the product of exponentials to simplify calculations of harmonic oscillator and angular momentum. Based on its singularity structure, the Schrödinger equation for various continuous potentials is solved in terms of the hypergeometric or the confluent hypergeometric functions. The forms of the potentials for which the one-dimensional Schrödinger equation is exactly solvable are derived in detail. The problem of identifying the states of two-level systems which have no classical analogy is addressed by going beyond Bell-like inequalities and separability. The measures of quantumness of mutual information in two two-level systems is also covered in detail. Offers a new approach to learning quantum mechanics based on the history of quantum mechanics and its postu...

  5. Do galaxy global relationships emerge from local ones? The SDSS IV MaNGA surface mass density-metallicity relation

    Science.gov (United States)

    Barrera-Ballesteros, Jorge K.; Heckman, Timothy M.; Zhu, Guangtun B.; Zakamska, Nadia L.; Sánchez, Sebastian F.; Law, David; Wake, David; Green, Jenny E.; Bizyaev, Dmitry; Oravetz, Daniel; Simmons, Audrey; Malanushenko, Elena; Pan, Kaike; Roman Lopes, Alexandre; Lane, Richard R.

    2016-12-01

    We present the stellar surface mass density versus gas metallicity (Σ*-Z) relation for more than 500 000 spatially resolved star-forming resolution elements (spaxels) from a sample of 653 disc galaxies included in the SDSS IV MaNGA survey. We find a tight relation between these local properties, with higher metallicities as the surface density increases. This relation extends over three orders of magnitude in the surface mass density and a factor of 4 in metallicity. We show that this local relationship can simultaneously reproduce two well-known properties of disc galaxies: their global mass-metallicity relationship and their radial metallicity gradients. We also find that the Σ*-Z relation is largely independent of the galaxy's total stellar mass and specific star formation rate (sSFR), except at low stellar mass and high sSFR. These results suggest that in the present-day universe local properties play a key role in determining the gas-phase metallicity in typical disc galaxies.

  6. Coarse-grained models using local-density potentials optimized with the relative entropy: Application to implicit solvation

    International Nuclear Information System (INIS)

    Sanyal, Tanmoy; Shell, M. Scott

    2016-01-01

    Bottom-up multiscale techniques are frequently used to develop coarse-grained (CG) models for simulations at extended length and time scales but are often limited by a compromise between computational efficiency and accuracy. The conventional approach to CG nonbonded interactions uses pair potentials which, while computationally efficient, can neglect the inherently multibody contributions of the local environment of a site to its energy, due to degrees of freedom that were coarse-grained out. This effect often causes the CG potential to depend strongly on the overall system density, composition, or other properties, which limits its transferability to states other than the one at which it was parameterized. Here, we propose to incorporate multibody effects into CG potentials through additional nonbonded terms, beyond pair interactions, that depend in a mean-field manner on local densities of different atomic species. This approach is analogous to embedded atom and bond-order models that seek to capture multibody electronic effects in metallic systems. We show that the relative entropy coarse-graining framework offers a systematic route to parameterizing such local density potentials. We then characterize this approach in the development of implicit solvation strategies for interactions between model hydrophobes in an aqueous environment.

  7. Double Lacunary Density and Some Inclusion Results in Locally Solid Riesz Spaces

    Directory of Open Access Journals (Sweden)

    S. A. Mohiuddine

    2013-01-01

    Full Text Available We define the notions of double statistically convergent and double lacunary statistically convergent sequences in locally solid Riesz space and establish some inclusion relations between them. We also prove an extension of a decomposition theorem in this setup. Further, we introduce the concepts of double θ-summable and double statistically lacunary summable in locally solid Riesz space and establish a relationship between these notions.

  8. Site-occupation embedding theory using Bethe ansatz local density approximations

    Science.gov (United States)

    Senjean, Bruno; Nakatani, Naoki; Tsuchiizu, Masahisa; Fromager, Emmanuel

    2018-06-01

    Site-occupation embedding theory (SOET) is an alternative formulation of density functional theory (DFT) for model Hamiltonians where the fully interacting Hubbard problem is mapped, in principle exactly, onto an impurity-interacting (rather than a noninteracting) one. It provides a rigorous framework for combining wave-function (or Green function)-based methods with DFT. In this work, exact expressions for the per-site energy and double occupation of the uniform Hubbard model are derived in the context of SOET. As readily seen from these derivations, the so-called bath contribution to the per-site correlation energy is, in addition to the latter, the key density functional quantity to model in SOET. Various approximations based on Bethe ansatz and perturbative solutions to the Hubbard and single-impurity Anderson models are constructed and tested on a one-dimensional ring. The self-consistent calculation of the embedded impurity wave function has been performed with the density-matrix renormalization group method. It has been shown that promising results are obtained in specific regimes of correlation and density. Possible further developments have been proposed in order to provide reliable embedding functionals and potentials.

  9. THE STELLAR NUMBER DENSITY DISTRIBUTION IN THE LOCAL SOLAR NEIGHBORHOOD IS NORTH-SOUTH ASYMMETRIC

    Energy Technology Data Exchange (ETDEWEB)

    Yanny, Brian [Fermi National Accelerator Laboratory, Batavia, IL 60510 (United States); Gardner, Susan [Department of Physics and Astronomy, University of Kentucky, Lexington, KY 40506-0055 (United States)

    2013-11-10

    We study the number density distribution of a sample of K and M dwarf stars, matched north and south of the Galactic plane within a distance of 2 kpc from the Sun, using observations from the Ninth Data Release of the Sloan Digital Sky Survey. We determine distances using the photometric parallax method, and in this context systematic effects exist which could potentially impact the determination of the number density profile with height from the Galactic plane—and ultimately affect a number density north-south asymmetry. They include: (1) the calibration of the various photometric parallax relations, (2) the ability to separate dwarfs from giants in our sample, (3) the role of stellar population differences such as age and metallicity, (4) the ability to determine the offset of the Sun from the Galactic plane, and (5) the correction for reddening from dust in the Galactic plane, though our stars are at high Galactic latitudes. We find the various analyzed systematic effects to have a negligible impact on our observed asymmetry, and using a new and larger sample of stars we confirm and refine the earlier discovery of Widrow et al. of a significant Galactic north-south asymmetry in the stellar number density distribution.

  10. THE STELLAR NUMBER DENSITY DISTRIBUTION IN THE LOCAL SOLAR NEIGHBORHOOD IS NORTH-SOUTH ASYMMETRIC

    Energy Technology Data Exchange (ETDEWEB)

    Yanny, Brian; Gardner, Susan

    2013-10-17

    We study the number density distribution of a sample of K and M dwarf stars, matched North and South of the Galactic plane within a distance of 2 kpc from the sun, using observations from the Ninth Data Release of the Sloan Digital Sky Survey. We determine distances using the photometric parallax method, and in this context systematic effects exist which could potentially impact the determination of the number density profile with height from the Galactic plane --- and ultimately affect a number density North-South asymmetry. They include: (i) the calibration of the various photometric parallax relations, (ii) the ability to separate dwarfs from giants in our sample, (iii) the role of stellar population differences such as age and metallicity, (iv) the ability to determine the offset of the sun from the Galactic plane, and (v) the correction for reddening from dust in the Galactic plane, though our stars are at high Galactic latitudes. We find the various analyzed systematic effects to have a negligible impact on our observed asymmetry, and using a new and larger sample of stars we confirm and refine the earlier discovery of Widrow et al. of a significant Galactic North-South asymmetry in the stellar number density distribution.

  11. Nuclear data uncertainties for local power densities in the Martin-Hoogenboom benchmark

    International Nuclear Information System (INIS)

    Van der Marck, S.C.; Rochman, D.A.

    2013-01-01

    The recently developed method of fast Total Monte Carlo to propagate nuclear data uncertainties was applied to the Martin-Hoogenboom benchmark. This Martin- Hoogenboom benchmark prescribes that one calculates local pin powers (of light water cooled reactor) with a statistical uncertainty lower than 1% everywhere. Here we report, for the first time, an estimate of the nuclear data uncertainties for these local pin powers. For each of the more than 6 million local power tallies, the uncertainty due to nuclear data uncertainties was calculated, based on random variation of data for 235 U, 238 U, 239 Pu and H in H 2 O thermal scattering. In the center of the core region, the nuclear data uncertainty is 0.9%. Towards the edges of the core, this uncertainty increases to roughly 3%. The nuclear data uncertainties have been shown to be larger than the statistical uncertainties that the benchmark prescribes

  12. Maximization of ICRF power by SOL density tailoring with local gas injection

    Czech Academy of Sciences Publication Activity Database

    Jacquet, P.; Goniche, M.; Bobkov, V.; Lerche, E.; Pinsker, R.I.; Pitts, R.A.; Zhang, W.; Colas, L.; Hosea, J.; Moriyama, S.; Wang, S.-J.; Wukitch, S.; Zhang, X.; Bilato, R.; Bufferand, H.; Guimarais, L.; Faugel, H.; Hanson, G.R.; Kocan, M.; Monakhov, I.; Noterdaeme, J.-M.; Petržílka, Václav; Shaw, A.; Stepanov, I.; Sips, A.C.C.; Van Eester, D.; Wauters, T.

    2016-01-01

    Roč. 56, č. 4 (2016), s. 046001 ISSN 0029-5515 EU Projects: European Commission(XE) 633053 - EUROfusion Institutional support: RVO:61389021 Keywords : ICRF power * antenna loading * gas injection * SOL density Subject RIV: BL - Plasma and Gas Discharge Physics OBOR OECD: Fluids and plasma physics (including surface physics) Impact factor: 3.307, year: 2016 http://iopscience.iop.org/article/10.1088/0029-5515/56/4/046001

  13. Farming for pests? Local and landscape-scale effects of grassland management on rabbit densities

    OpenAIRE

    Petrovan , Silviu O.; Barrio , Isabel C.; Ward , Alastair I.; Wheeler , Philip M.

    2010-01-01

    Abstract In recent decades in the UK, there has been an increasing trend in numbers of the European wild rabbit, a significant agricultural pest typically associated with grassland habitats. However, the relationship between rabbit abundance and grassland management, in particular grazing, has not been sufficiently explained. We studied rabbit densities in seven pasture-dominated sites in north-east England between autumn and spring in two consecutive years, and used generalised li...

  14. Exploring the electron density localization in single MoS2 monolayers by means of a localize-electrons detector and the quantum theory of atoms in molecules

    Directory of Open Access Journals (Sweden)

    Yosslen Aray

    2017-11-01

    Full Text Available The nature of the electron density localization in a MoS2 monolayer under 0 % to 11% tensile strain has been systematically studied by means of a localized electron detector function and the Quantum Theory of atoms in molecules. At 10% tensile strain, this monolayer become metallic. It was found that for less than 6.5% of applied stress, the same atomic structure of the equilibrium geometry (0% strain is maintained; while over 6.5% strain induces a transformation to a structure where the sulfur atoms placed on the top and bottom layer form S2 groups. The localized electron detector function shows the presence of zones of highly electron delocalization extending throughout the Mo central layer. For less than 10% tensile strain, these zones comprise the BCPs and the remainder CPs in separates regions of the space; while for the structures beyond 10% strain, all the critical points are involved in a region of highly delocalized electrons that extends throughout the material. This dissimilar electron localization pattern is like to that previously reported for semiconductors such as Ge bulk and metallic systems such as transition metals bulk.

  15. Detecting Large-Scale Brain Networks Using EEG: Impact of Electrode Density, Head Modeling and Source Localization

    Science.gov (United States)

    Liu, Quanying; Ganzetti, Marco; Wenderoth, Nicole; Mantini, Dante

    2018-01-01

    Resting state networks (RSNs) in the human brain were recently detected using high-density electroencephalography (hdEEG). This was done by using an advanced analysis workflow to estimate neural signals in the cortex and to assess functional connectivity (FC) between distant cortical regions. FC analyses were conducted either using temporal (tICA) or spatial independent component analysis (sICA). Notably, EEG-RSNs obtained with sICA were very similar to RSNs retrieved with sICA from functional magnetic resonance imaging data. It still remains to be clarified, however, what technological aspects of hdEEG acquisition and analysis primarily influence this correspondence. Here we examined to what extent the detection of EEG-RSN maps by sICA depends on the electrode density, the accuracy of the head model, and the source localization algorithm employed. Our analyses revealed that the collection of EEG data using a high-density montage is crucial for RSN detection by sICA, but also the use of appropriate methods for head modeling and source localization have a substantial effect on RSN reconstruction. Overall, our results confirm the potential of hdEEG for mapping the functional architecture of the human brain, and highlight at the same time the interplay between acquisition technology and innovative solutions in data analysis. PMID:29551969

  16. Calculations of hyperfine interactions in transition metal compounds in the local density approximation

    International Nuclear Information System (INIS)

    Guenzburger, D.J.R.

    1982-01-01

    A survey is made of some theoretical calculations of electrostatic and magnetic hyperfine interactions in transition metal compounds and complex irons. The molecular orbital methods considered are the Multiple Scattering and Discrete Variational, in which the local Xα approximation for the exchange interaction is employed. Emphasis is given to the qualitative informations, derived from the calculations, relating the hyperfine parameters to characteristics of the chemical bonds. (Author) [pt

  17. Exact-exchange spin-density functional theory of Wigner localization and phase transitions in quantum rings.

    Science.gov (United States)

    Arnold, Thorsten; Siegmund, Marc; Pankratov, Oleg

    2011-08-24

    We apply exact-exchange spin-density functional theory in the Krieger-Li-Iafrate approximation to interacting electrons in quantum rings of different widths. The rings are threaded by a magnetic flux that induces a persistent current. A weak space and spin symmetry breaking potential is introduced to allow for localized solutions. As the electron-electron interaction strength described by the dimensionless parameter r(S) is increased, we observe-at a fixed spin magnetic moment-the subsequent transition of both spin sub-systems from the Fermi liquid to the Wigner crystal state. A dramatic signature of Wigner crystallization is that the persistent current drops sharply with increasing r(S). We observe simultaneously the emergence of pronounced oscillations in the spin-resolved densities and in the electron localization functions indicating a spatial electron localization showing ferrimagnetic order after both spin sub-systems have undergone the Wigner crystallization. The critical r(S)(c) at the transition point is substantially smaller than in a fully spin-polarized system and decreases further with decreasing ring width. Relaxing the constraint of a fixed spin magnetic moment, we find that on increasing r(S) the stable phase changes from an unpolarized Fermi liquid to an antiferromagnetic Wigner crystal and finally to a fully polarized Fermi liquid. © 2011 IOP Publishing Ltd

  18. Localized plasma-density disturbance propagating along B in the interior of the ZT-40M reversed-field pinch

    International Nuclear Information System (INIS)

    Nalesso, G.; Jacobson, A.R.

    1984-01-01

    Using a ten-chord interferometer, we have measured a field-aligned (k/sub parallel/roughly-equal2 m -1 ; k/sub perpendicular/> or approx. =25 m -1 ) plasma-density disturbance propagating along B with a speed in the ion acoustic range. The propagation is purely in the electron drift direction and is observed only when the drift parameter (electron drift speed/electron thermal speed)> or approx. =0.1. A novel spatial-filter technique resolves this localized mode, which otherwise would be hidden by more robust global disturbances present along the lines of sight

  19. Localized surface plasmon resonance in silver nanoparticles: Atomistic first-principles time-dependent density-functional theory calculations

    OpenAIRE

    Kuisma, Mikael; Sakko, Arto; Rossi, Tuomas P.; Larsen, Ask H.; Enkovaara, Jussi; Lehtovaara, Lauri; Rantala, Tapio T.

    2015-01-01

    We observe using ab initio methods that localized surface plasmon resonances in icosahedral silver nanoparticles enter the asymptotic region already between diameters of 1 and 2 nm, converging close to the classical quasistatic limit around 3.4 eV. We base the observation on time-dependent density-functional theory simulations of the icosahedral silver clusters Ag$_{55}$ (1.06 nm), Ag$_{147}$ (1.60 nm), Ag$_{309}$ (2.14 nm), and Ag$_{561}$ (2.68 nm). The simulation method combines the adiabat...

  20. Ordinary mode reflectometry. Modification of the scattering and cut-off responses due to the shape of localized density fluctuations

    International Nuclear Information System (INIS)

    Fanack, C.; Boucher, I.; Heuraux, S.; Leclert, G.; Clairet, F.; Zou, X.L.

    1996-01-01

    Ordinary wave reflectometry in a plasma containing a localized density perturbation is studied with a 1-D model. The phase response is studied as a function of the wavenumber and position of the perturbation. It is shown that it strongly depends upon the perturbation shape and size. For a small perturbation wavenumber, the response is due to the oscillation of the cut-off layer. For larger wavenumbers, two regimes are found: for a broad perturbation, the phase response is an image of the perturbation itself; for a narrow perturbation, it is rather an image of the Fourier transform. For tokamak plasmas it turns out that, for the fluctuation spectra usually observed, the phase response comes primarily from those fluctuations that are localized at the cut-off. Results of a 2-D numerical model show that geometry effects are negligible for the scattering by radial fluctuations. (author)

  1. Predicting local dengue transmission in Guangzhou, China, through the influence of imported cases, mosquito density and climate variability.

    Directory of Open Access Journals (Sweden)

    Shaowei Sang

    Full Text Available Each year there are approximately 390 million dengue infections worldwide. Weather variables have a significant impact on the transmission of Dengue Fever (DF, a mosquito borne viral disease. DF in mainland China is characterized as an imported disease. Hence it is necessary to explore the roles of imported cases, mosquito density and climate variability in dengue transmission in China. The study was to identify the relationship between dengue occurrence and possible risk factors and to develop a predicting model for dengue's control and prevention purpose.Three traditional suburbs and one district with an international airport in Guangzhou city were selected as the study areas. Autocorrelation and cross-correlation analysis were used to perform univariate analysis to identify possible risk factors, with relevant lagged effects, associated with local dengue cases. Principal component analysis (PCA was applied to extract principal components and PCA score was used to represent the original variables to reduce multi-collinearity. Combining the univariate analysis and prior knowledge, time-series Poisson regression analysis was conducted to quantify the relationship between weather variables, Breteau Index, imported DF cases and the local dengue transmission in Guangzhou, China. The goodness-of-fit of the constructed model was determined by pseudo-R2, Akaike information criterion (AIC and residual test. There were a total of 707 notified local DF cases from March 2006 to December 2012, with a seasonal distribution from August to November. There were a total of 65 notified imported DF cases from 20 countries, with forty-six cases (70.8% imported from Southeast Asia. The model showed that local DF cases were positively associated with mosquito density, imported cases, temperature, precipitation, vapour pressure and minimum relative humidity, whilst being negatively associated with air pressure, with different time lags.Imported DF cases and mosquito

  2. THE ALFALFA H α SURVEY. I. PROJECT DESCRIPTION AND THE LOCAL STAR FORMATION RATE DENSITY FROM THE FALL SAMPLE

    International Nuclear Information System (INIS)

    Sistine, Angela Van; Salzer, John J.; Janowiecki, Steven; Sugden, Arthur; Giovanelli, Riccardo; Haynes, Martha P.; Jaskot, Anne E.; Wilcots, Eric M.

    2016-01-01

    The ALFALFA H α survey utilizes a large sample of H i-selected galaxies from the ALFALFA survey to study star formation (SF) in the local universe. ALFALFA H α contains 1555 galaxies with distances between ∼20 and ∼100 Mpc. We have obtained continuum-subtracted narrowband H α images and broadband R images for each galaxy, creating one of the largest homogeneous sets of H α images ever assembled. Our procedures were designed to minimize the uncertainties related to the calculation of the local SF rate density (SFRD). The galaxy sample we constructed is as close to volume-limited as possible, is a robust statistical sample, and spans a wide range of galaxy environments. In this paper, we discuss the properties of our Fall sample of 565 galaxies, our procedure for deriving individual galaxy SF rates, and our method for calculating the local SFRD. We present a preliminary value of log(SFRD[ M ⊙ yr −1 Mpc −3 ]) = −1.747 ± 0.018 (random) ±0.05 (systematic) based on the 565 galaxies in our Fall sub-sample. Compared to the weighted average of SFRD values around z ≈ 2, our local value indicates a drop in the global SFRD of a factor of 10.2 over that lookback time.

  3. Local clouds ionization, temperatures, electron densities and interfaces, from GHRS and IMAPS spectra of epsilon Canis Majoris

    CERN Document Server

    Gry, C; Gry, Cecile; Jenkins, Edward B.

    2001-01-01

    The composition and physical properties of several local clouds, including the Local Interstellar Cloud (LIC) in which the Sun is embedded, are derived from absorption features in the UV spectrum of the star epsilon CMa. We derive temperatures and densities for three components by combining our interpretations of the ionization balance of magnesium and the relative population of C II in an excited fine-structure level. We find that for the LIC n(e) = 0.12 +/-0.05 cm-3 and T = 7000 +/-1200 K. We derive the ionization fractions of hydrogen and discuss the ionizing processes. In particular the hydrogen and helium ionizations in the LIC are compatible with photoionization by the local EUV radiation fields from the hot stars and the cloud interface with the hot gas. We confirm the detection of high ionization species : Si III is detected in all clouds and C IV in two of them, including the LIC, suggesting the presence of ionized interfaces around the local clouds.

  4. THE ALFALFA H α SURVEY. I. PROJECT DESCRIPTION AND THE LOCAL STAR FORMATION RATE DENSITY FROM THE FALL SAMPLE

    Energy Technology Data Exchange (ETDEWEB)

    Sistine, Angela Van [Department of Physics, University of Wisconsin-Milwaukee, Milwaukee, WI 53211 (United States); Salzer, John J.; Janowiecki, Steven [Department of Astronomy, Indiana University, Bloomington, IN 47405 (United States); Sugden, Arthur [Department of Endocrinology, Beth Israel Deaconess Medical Center, Harvard Medical School, Boston, MA 02115 (United States); Giovanelli, Riccardo; Haynes, Martha P. [Center for Astrophysics and Planetary Science, Cornell University, Ithaca, NY 14853 (United States); Jaskot, Anne E. [Department of Astronomy, Smith College, Northampton, MA 01063 (United States); Wilcots, Eric M. [Department of Astronomy, University of Wisconsin-Madison, Madison, WI 53706 (United States)

    2016-06-10

    The ALFALFA H α survey utilizes a large sample of H i-selected galaxies from the ALFALFA survey to study star formation (SF) in the local universe. ALFALFA H α contains 1555 galaxies with distances between ∼20 and ∼100 Mpc. We have obtained continuum-subtracted narrowband H α images and broadband R images for each galaxy, creating one of the largest homogeneous sets of H α images ever assembled. Our procedures were designed to minimize the uncertainties related to the calculation of the local SF rate density (SFRD). The galaxy sample we constructed is as close to volume-limited as possible, is a robust statistical sample, and spans a wide range of galaxy environments. In this paper, we discuss the properties of our Fall sample of 565 galaxies, our procedure for deriving individual galaxy SF rates, and our method for calculating the local SFRD. We present a preliminary value of log(SFRD[ M {sub ⊙} yr{sup −1} Mpc{sup −3}]) = −1.747 ± 0.018 (random) ±0.05 (systematic) based on the 565 galaxies in our Fall sub-sample. Compared to the weighted average of SFRD values around z ≈ 2, our local value indicates a drop in the global SFRD of a factor of 10.2 over that lookback time.

  5. Fracture Assessment of PEEK under Static Loading by Means of the Local Strain Energy Density

    Directory of Open Access Journals (Sweden)

    Mirco Peron

    2017-12-01

    Full Text Available Polyetheretherketone (PEEK has gained interest in many industrial applications due to its high strength-to-weight ratio, excellent heat tolerance and high corrosion resistance. Stress concentrators such as notches and geometrical discontinuities are present in many such components necessitating the reliable assessment of notch sensitivity of PEEK in monotonic tension. Here we evaluate the applicability of the strain energy density (SED approach for the assessment of the fracture strength of experimentally tested notched geometries subject to corrosion. The fracture behavior of neat, circumferentially razor-grooved dog-bone specimens and circumferentially U-notched specimens with different notch radii can be predicted with a discrepancy lower than ±10%. Reliable predictions are shown on two previously published datasets employing both computed and published mechanical properties as inputs for the SED calculations. This report presents the first successful application of SED for PEEK as well as the successful prediction of tensile behavior in corrosive environments. This opens the road towards future applications of PEEK in fields its compliant use is of growing popularity.

  6. Semantic category interference in overt picture naming: sharpening current density localization by PCA.

    Science.gov (United States)

    Maess, Burkhard; Friederici, Angela D; Damian, Markus; Meyer, Antje S; Levelt, Willem J M

    2002-04-01

    The study investigated the neuronal basis of the retrieval of words from the mental lexicon. The semantic category interference effect was used to locate lexical retrieval processes in time and space. This effect reflects the finding that, for overt naming, volunteers are slower when naming pictures out of a sequence of items from the same semantic category than from different categories. Participants named pictures blockwise either in the context of same- or mixed-category items while the brain response was registered using magnetoencephalography (MEG). Fifteen out of 20 participants showed longer response latencies in the same-category compared to the mixed-category condition. Event-related MEG signals for the participants demonstrating the interference effect were submitted to a current source density (CSD) analysis. As a new approach, a principal component analysis was applied to decompose the grand average CSD distribution into spatial subcomponents (factors). The spatial factor indicating left temporal activity revealed significantly different activation for the same-category compared to the mixed-category condition in the time window between 150 and 225 msec post picture onset. These findings indicate a major involvement of the left temporal cortex in the semantic interference effect. As this effect has been shown to take place at the level of lexical selection, the data suggest that the left temporal cortex supports processes of lexical retrieval during production.

  7. Temporal evolutions of electron temperature and density with edge localized mode in the JT-60U divertor plasma

    International Nuclear Information System (INIS)

    Nakano, T; Kubo, H; Asakura, N

    2010-01-01

    From the intensity ratios of the three He I lines measured at 20 kHz, the temporal evolutions of the electron temperature and density during and after the power and the particle flow into the divertor plasma caused by edge localized modes are determined. The electron temperature increases from 70 eV to 80 eV with increasing D α intensity. Then, at the peak of D α intensity, the electron temperature starts decreasing down to 60 eV. The electron density increases from 0.1 x 10 19 m -3 to 0.3 x 10 19 m -3 with increasing D α intensity, and then starts to decrease more gradually compared with the electron temperature after the peak of D α intensity. It is interpreted that the increase of the electron temperature is ascribed to the power and the particle flow into the divertor plasma, and that the decrease of the electron temperature and the increase of the electron density are ascribed to the ionization of the recycled neutrals, which consumes the electron energy and produces electrons.

  8. Impact of the pedestal plasma density on dynamics of edge localized mode crashes and energy loss scaling

    Energy Technology Data Exchange (ETDEWEB)

    Xu, X. Q., E-mail: xxu@llnl.gov [Lawrence Livermore National Laboratory, Livermore, California 94551 (United States); Ma, J. F. [Lawrence Livermore National Laboratory, Livermore, California 94551 (United States); Institute for Fusion Studies, University of Texas, Austin, Texas 78712 (United States); Li, G. Q. [Lawrence Livermore National Laboratory, Livermore, California 94551 (United States); Institute of Plasma Physics, Chinese Academy of Sciences, Hefei (China)

    2014-12-15

    The latest BOUT++ studies show an emerging understanding of dynamics of edge localized mode (ELM) crashes and the consistent collisionality scaling of ELM energy losses with the world multi-tokamak database. A series of BOUT++ simulations are conducted to investigate the scaling characteristics of the ELM energy losses vs collisionality via a density scan. Linear results demonstrate that as the pedestal collisionality decreases, the growth rate of the peeling-ballooning modes decreases for high n but increases for low n (1 < n < 5), therefore the width of the growth rate spectrum γ(n) becomes narrower and the peak growth shifts to lower n. Nonlinear BOUT++ simulations show a two-stage process of ELM crash evolution of (i) initial bursts of pressure blob and void creation and (ii) inward void propagation. The inward void propagation stirs the top of pedestal plasma and yields an increasing ELM size with decreasing collisionality after a series of micro-bursts. The pedestal plasma density plays a major role in determining the ELM energy loss through its effect on the edge bootstrap current and ion diamagnetic stabilization. The critical trend emerges as a transition (1) linearly from ballooning-dominated states at high collisionality to peeling-dominated states at low collisionality with decreasing density and (2) nonlinearly from turbulence spreading dynamics at high collisionality into avalanche-like dynamics at low collisionality.

  9. Carrier-density dependence of photoluminescence from localized states in InGaN/GaN quantum wells in nanocolumns and a thin film

    Energy Technology Data Exchange (ETDEWEB)

    Shimosako, N., E-mail: n-shimosako@sophia.jp; Inose, Y.; Satoh, H.; Kinjo, K.; Nakaoka, T.; Oto, T. [Department of Engineering and Applied Sciences, Sophia University, 7-1 Kioi-cho, Chiyoda-ku, Tokyo 102-8554 (Japan); Kishino, K.; Ema, K. [Department of Engineering and Applied Sciences, Sophia University, 7-1 Kioi-cho, Chiyoda-ku, Tokyo 102-8554 (Japan); Sophia Nanotechnology Research Center, Sophia University, 7-1 Kioi-cho, Chiyoda-ku, Tokyo 102-8554 (Japan)

    2015-11-07

    We have measured and analyzed the carrier-density dependence of photoluminescence (PL) spectra and the PL efficiency of InGaN/GaN multiple quantum wells in nanocolumns and in a thin film over a wide excitation range. The localized states parameters, such as the tailing parameter, density and size of the localized states, and the mobility edge density are estimated. The spectral change and reduction of PL efficiency are explained by filling of the localized states and population into the extended states around the mobility edge density. We have also found that the nanocolumns have a narrower distribution of the localized states and a higher PL efficiency than those of the film sample although the In composition of the nanocolumns is higher than that of the film.

  10. Dispersion relation and Landau damping of waves in high-energy density plasmas

    International Nuclear Information System (INIS)

    Zhu Jun; Ji Peiyong

    2012-01-01

    We present a theoretical investigation on the propagation of electromagnetic waves and electron plasma waves in high energy density plasmas using the covariant Wigner function approach. Based on the covariant Wigner function and Dirac equation, a relativistic quantum kinetic model is established to describe the physical processes in high-energy density plasmas. With the zero-temperature Fermi–Dirac distribution, the dispersion relation and Landau damping of waves containing the relativistic quantum corrected terms are derived. The relativistic quantum corrections to the dispersion relation and Landau damping are analyzed by comparing our results with those obtained in classical and non-relativistic quantum plasmas. We provide a detailed discussion on the Landau damping obtained in classical plasmas, non-relativistic Fermi plasmas and relativistic Fermi plasmas. The contributions of the Bohm potential, the Fermi statistics pressure and relativistic effects to the dispersion relation and Landau damping of waves are quantitatively calculated with real plasma parameters. (paper)

  11. Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation

    International Nuclear Information System (INIS)

    Lin Lin; Lu Jianfeng; Ying Lexing; Weinan, E

    2012-01-01

    Kohn–Sham density functional theory is one of the most widely used electronic structure theories. In the pseudopotential framework, uniform discretization of the Kohn–Sham Hamiltonian generally results in a large number of basis functions per atom in order to resolve the rapid oscillations of the Kohn–Sham orbitals around the nuclei. Previous attempts to reduce the number of basis functions per atom include the usage of atomic orbitals and similar objects, but the atomic orbitals generally require fine tuning in order to reach high accuracy. We present a novel discretization scheme that adaptively and systematically builds the rapid oscillations of the Kohn–Sham orbitals around the nuclei as well as environmental effects into the basis functions. The resulting basis functions are localized in the real space, and are discontinuous in the global domain. The continuous Kohn–Sham orbitals and the electron density are evaluated from the discontinuous basis functions using the discontinuous Galerkin (DG) framework. Our method is implemented in parallel and the current implementation is able to handle systems with at least thousands of atoms. Numerical examples indicate that our method can reach very high accuracy (less than 1 meV) with a very small number (4–40) of basis functions per atom.

  12. Generator localization by current source density (CSD): Implications of volume conduction and field closure at intracranial and scalp resolutions

    Science.gov (United States)

    Tenke, Craig E.; Kayser, Jürgen

    2012-01-01

    The topographic ambiguity and reference-dependency that has plagued EEG/ERP research throughout its history are largely attributable to volume conduction, which may be concisely described by a vector form of Ohm’s Law. This biophysical relationship is common to popular algorithms that infer neuronal generators via inverse solutions. It may be further simplified as Poisson’s source equation, which identifies underlying current generators from estimates of the second spatial derivative of the field potential (Laplacian transformation). Intracranial current source density (CSD) studies have dissected the “cortical dipole” into intracortical sources and sinks, corresponding to physiologically-meaningful patterns of neuronal activity at a sublaminar resolution, much of which is locally cancelled (i.e., closed field). By virtue of the macroscopic scale of the scalp-recorded EEG, a surface Laplacian reflects the radial projections of these underlying currents, representing a unique, unambiguous measure of neuronal activity at scalp. Although the surface Laplacian requires minimal assumptions compared to complex, model-sensitive inverses, the resulting waveform topographies faithfully summarize and simplify essential constraints that must be placed on putative generators of a scalp potential topography, even if they arise from deep or partially-closed fields. CSD methods thereby provide a global empirical and biophysical context for generator localization, spanning scales from intracortical to scalp recordings. PMID:22796039

  13. Finite element (fem) Kohn-Sham density functional approach to lighter dimers

    International Nuclear Information System (INIS)

    Kolb, D.; Kopylow, A.V.; Duesterhoft, C.; Heinemann, D.

    1998-01-01

    The very accurate Finite Element Method has been employed for a comparative study of various combinations of frequently used exchange and correlation density functionals both local and non-local. We also investigated the properties of the Colle- Salvetti orbital functional in KLI approximation. All these studies were done for atoms and dimers of the sp-shell which exhibits a rich variety of system dependent properties. Moving through the sp-shell we compare binding energies, radii and vibrational frequencies for ground state and excited configurations and also compute potential energy surfaces (curves) as a function of internuclear distance. The dependency of total energies on occupation number variations of the Kohn-Sham orbitals provides inferences on polarisation and alignment. An interesting question is how to incorporate at least approximately non- relativistic strict physical conservation laws like spin S 2 and S z , angular momentum L 2 and L z and parity and how to allow for symmetry breaking necessary for the dissociation e.g. of N 2 . (Copyright (1998) World Scientific Publishing Co. Pte. Ltd)

  14. The relationship between local liquid density and force applied on a tip of atomic force microscope: a theoretical analysis for simple liquids.

    Science.gov (United States)

    Amano, Ken-ichi; Suzuki, Kazuhiro; Fukuma, Takeshi; Takahashi, Ohgi; Onishi, Hiroshi

    2013-12-14

    The density of a liquid is not uniform when placed on a solid. The structured liquid pushes or pulls a probe employed in atomic force microscopy, as demonstrated in a number of experimental studies. In the present study, the relation between the force on a probe and the local density of a liquid is derived based on the statistical mechanics of simple liquids. When the probe is identical to a solvent molecule, the strength of the force is shown to be proportional to the vertical gradient of ln(ρDS) with the local liquid's density on a solid surface being ρDS. The intrinsic liquid's density on a solid is numerically calculated and compared with the density reconstructed from the force on a probe that is identical or not identical to the solvent molecule.

  15. The relationship between local liquid density and force applied on a tip of atomic force microscope: A theoretical analysis for simple liquids

    Energy Technology Data Exchange (ETDEWEB)

    Amano, Ken-ichi, E-mail: aman@tohoku-pharm.ac.jp; Takahashi, Ohgi [Faculty of Pharmaceutical Sciences, Tohoku Pharmaceutical University, 4-4-1 Komatsushima, Aoba-ku, Sendai 981-8558 (Japan); Suzuki, Kazuhiro [Department of Electronic Science and Engineering, Kyoto University, Katsura, Nishikyo, Kyoto 615-8510 (Japan); Fukuma, Takeshi [Bio-AFM Frontier Research Center, Kanazawa University, Kakuma-machi, Kanazawa 920-1192 (Japan); Onishi, Hiroshi [Department of Chemistry, Faculty of Science, Kobe University, Nada-ku, Kobe 657-8501 (Japan)

    2013-12-14

    The density of a liquid is not uniform when placed on a solid. The structured liquid pushes or pulls a probe employed in atomic force microscopy, as demonstrated in a number of experimental studies. In the present study, the relation between the force on a probe and the local density of a liquid is derived based on the statistical mechanics of simple liquids. When the probe is identical to a solvent molecule, the strength of the force is shown to be proportional to the vertical gradient of ln(ρ{sub DS}) with the local liquid's density on a solid surface being ρ{sub DS}. The intrinsic liquid's density on a solid is numerically calculated and compared with the density reconstructed from the force on a probe that is identical or not identical to the solvent molecule.

  16. The relationship between local liquid density and force applied on a tip of atomic force microscope: A theoretical analysis for simple liquids

    International Nuclear Information System (INIS)

    Amano, Ken-ichi; Takahashi, Ohgi; Suzuki, Kazuhiro; Fukuma, Takeshi; Onishi, Hiroshi

    2013-01-01

    The density of a liquid is not uniform when placed on a solid. The structured liquid pushes or pulls a probe employed in atomic force microscopy, as demonstrated in a number of experimental studies. In the present study, the relation between the force on a probe and the local density of a liquid is derived based on the statistical mechanics of simple liquids. When the probe is identical to a solvent molecule, the strength of the force is shown to be proportional to the vertical gradient of ln(ρ DS ) with the local liquid's density on a solid surface being ρ DS . The intrinsic liquid's density on a solid is numerically calculated and compared with the density reconstructed from the force on a probe that is identical or not identical to the solvent molecule

  17. Distribution Analysis of the Local Critical Temperature and Current Density in YBCO Coated Conductors using Low-temperature Scanning Laser and Hall Probe Microscopy

    International Nuclear Information System (INIS)

    Park, S. K.; Cho, B. R.; Park, H. Y.; Ri, H. C.

    2011-01-01

    Distribution of the local critical temperature and current density in YBCO coated conductors were analyzed using Low-temperature Scanning Laser and Hall Probe Microscopy (LTSLHPM). We prepared YBCO coated conductors of various bridge types to study the spatial distribution of the critical temperature and the current density in single and multi bridges. LTSLHPM system was modified for detailed linescan or two-dimensional scan both scanning laser and scanning Hall probe method simultaneously. We analyzed the local critical temperature of single and multi bridges from series of several linescans of scanning laser microscopy. We also investigated local current density and hysteresis curve of single bridge from experimental results of scanning Hall probe microscopy.

  18. Bone density as a marker for local response to radiotherapy of spinal bone metastases in women with breast cancer: a retrospective analysis

    International Nuclear Information System (INIS)

    Foerster, Robert; Eisele, Christian; Bruckner, Thomas; Bostel, Tilman; Schlampp, Ingmar; Wolf, Robert; Debus, Juergen; Rief, Harald

    2015-01-01

    We designed this study to quantify the effects of radiotherapy (RT) on bone density as a local response in spinal bone metastases of women with breast cancer and, secondly, to establish bone density as an accurate and reproducible marker for assessment of local response to RT in spinal bone metastases. We retrospectively assessed 135 osteolytic spinal metastases in 115 women with metastatic breast cancer treated at our department between January 2000 and January 2012. Primary endpoint was to compare bone density in the bone metastases before, 3 months after and 6 months after RT. Bone density was measured in Hounsfield units (HU) in computed tomography scans. We calculated mean values in HU and the standard deviation (SD) as a measurement of bone density before, 3 months and 6 months after RT. T-test was used for statistical analysis of difference in bone density as well as for univariate analysis of prognostic factors for difference in bone density 3 and 6 months after RT. Mean bone density was 194.8 HU ± SD 123.0 at baseline. Bone density increased significantly by a mean of 145.8 HU ± SD 139.4 after 3 months (p = .0001) and by 250.3 HU ± SD 147.1 after 6 months (p < .0001). Women receiving bisphosphonates showed a tendency towards higher increase in bone density in the metastases after 3 months (152.6 HU ± SD 141.9 vs. 76.0 HU ± SD 86.1; p = .069) and pathological fractures before RT were associated with a significantly higher increase in bone density after 3 months (202.3 HU ± SD 161.9 vs. 130.3 HU ± SD 129.2; p = .013). Concomitant chemotherapy (ChT) or endocrine therapy (ET), hormone receptor status, performance score, applied overall RT dose and prescription of a surgical corset did not correlate with a difference in bone density after RT. Bone density measurement in HU is a practicable and reproducible method for assessment of local RT response in osteolytic metastases in breast cancer. Our analysis demonstrated an excellent local response within

  19. local

    Directory of Open Access Journals (Sweden)

    Abílio Amiguinho

    2005-01-01

    Full Text Available The process of socio-educational territorialisation in rural contexts is the topic of this text. The theme corresponds to a challenge to address it having as main axis of discussion either the problem of social exclusion or that of local development. The reasons to locate the discussion in this last field of analysis are discussed in the first part of the text. Theoretical and political reasons are there articulated because the question is about projects whose intentions and practices call for the political both in the theoretical debate and in the choices that anticipate intervention. From research conducted for several years, I use contributions that aim at discuss and enlighten how school can be a potential locus of local development. Its identification and recognition as local institution (either because of those that work and live in it or because of those that act in the surrounding context are crucial steps to progressively constitute school as a partner for development. The promotion of the local values and roots, the reconstruction of socio-personal and local identities, the production of sociabilities and the equation and solution of shared problems were the dimensions of a socio-educative intervention, markedly globalising. This scenario, as it is argued, was also, intentionally, one of transformation and of deliberate change of school and of the administration of the educative territoires.

  20. On the relation between orbital-localization and self-interaction errors in the density functional theory treatment of organic semiconductors.

    Science.gov (United States)

    Körzdörfer, T

    2011-03-07

    It is commonly argued that the self-interaction error (SIE) inherent in semilocal density functionals is related to the degree of the electronic localization. Yet at the same time there exists a latent ambiguity in the definitions of the terms "localization" and "self-interaction," which ultimately prevents a clear and readily accessible quantification of this relationship. This problem is particularly pressing for organic semiconductor molecules, in which delocalized molecular orbitals typically alternate with localized ones, thus leading to major distortions in the eigenvalue spectra. This paper discusses the relation between localization and SIEs in organic semiconductors in detail. Its findings provide further insights into the SIE in the orbital energies and yield a new perspective on the failure of self-interaction corrections that identify delocalized orbital densities with electrons. © 2011 American Institute of Physics.

  1. Localization of oxidized low-density lipoprotein and its relation to plaque morphology in human coronary artery.

    Directory of Open Access Journals (Sweden)

    Yasumi Uchida

    Full Text Available OBJECTIVES: Oxidized low-density lipoprotein (oxLDL plays a key role in the formation of atherosclerotic plaques. However, its localization in human coronary arterial wall is not well understood. The present study was performed to visualize deposition sites and patterns of native oxLDL and their relation to plaque morphology in human coronary artery. METHODS: Evans blue dye (EB elicits a violet fluorescence by excitation at 345-nm and emission at 420-nm, and a reddish-brown fluorescence by excitation at 470-nm and emission at 515-nm characteristic of oxLDL only. Therefore, native oxLDL in excised human coronary artery were investigated by color fluorescent microscopy (CFM using EB as a biomarker. RESULTS: (1 By luminal surface scan with CFM, the % incidence of oxLDL in 38 normal segments, 41 white plaques and 32 yellow plaques that were classified by conventional angioscopy, was respectively 26, 44 and 94, indicating significantly (p<0.05 higher incidence in the latter than the former two groups. Distribution pattern was classified as patchy, diffuse and web-like. Web-like pattern was observed only in yellow plaques with necrotic core. (2 By transected surface scan, oxLDL deposited within superficial layer in normal segments and diffusely within both superficial and deep layers in white and yellow plaques. In yellow plaques with necrotic core, oxLDL deposited not only in the marginal zone of the necrotic core but also in the fibrous cap. CONCLUSION: Taken into consideration of the well-known process of coronary plaque growth, the results suggest that oxLDL begins to deposit in human coronary artery wall before plaque formation and increasingly deposits with plaque growth, exhibiting different deposition sites and patterns depending on morphological changes.

  2. 3d-4f magnetic interaction with density functional theory plus u approach: local Coulomb correlation and exchange pathways.

    Science.gov (United States)

    Zhang, Yachao; Yang, Yang; Jiang, Hong

    2013-12-12

    The 3d-4f exchange interaction plays an important role in many lanthanide based molecular magnetic materials such as single-molecule magnets and magnetic refrigerants. In this work, we study the 3d-4f magnetic exchange interactions in a series of Cu(II)-Gd(III) (3d(9)-4f(7)) dinuclear complexes based on the numerical atomic basis-norm-conserving pseudopotential method and density functional theory plus the Hubbard U correction approach (DFT+U). We obtain improved description of the 4f electrons by including the semicore 5s5p states in the valence part of the Gd-pseudopotential. The Hubbard U correction is employed to treat the strongly correlated Cu-3d and Gd-4f electrons, which significantly improve the agreement of the predicted exchange constants, J, with experiment, indicating the importance of accurate description of the local Coulomb correlation. The high efficiency of the DFT+U approach enables us to perform calculations with molecular crystals, which in general improve the agreement between theory and experiment, achieving a mean absolute error smaller than 2 cm(-1). In addition, through analyzing the physical effects of U, we identify two magnetic exchange pathways. One is ferromagnetic and involves an interaction between the Cu-3d, O-2p (bridge ligand), and the majority-spin Gd-5d orbitals. The other one is antiferromagnetic and involves Cu-3d, O-2p, and the empty minority-spin Gd-4f orbitals, which is suppressed by the planar Cu-O-O-Gd structure. This study demonstrates the accuracy of the DFT+U method for evaluating the 3d-4f exchange interactions, provides a better understanding of the exchange mechanism in the Cu(II)-Gd(III) complexes, and paves the way for exploiting the magnetic properties of the 3d-4f compounds containing lanthanides other than Gd.

  3. Area density of localization-entropy II: double cone-localization and quantum origin of the Bondi-Metzner-Sachs symmetry

    Energy Technology Data Exchange (ETDEWEB)

    Schroer, Bert

    2006-04-15

    The holographic encoding is generalized to subalgebras of QFT localized in double cones. It is shown that as a result of this radically different spacetime encoding the modular group acts geometrically on the holographic image. As a result we obtain a formula for localization entropy which is identical to the previously derived formula for the wedge-localized subalgebra. The symmetry group in the holographic encoding turns out to be the Bondi-Metzner-Sachs group. (author)

  4. Derivation of the probability distribution function for the local density of states of a disordered quantum wire via the replica trick and supersymmetry

    International Nuclear Information System (INIS)

    Bunder, J.E.J.E.; McKenzie, R.H.Ross H.

    2001-01-01

    We consider the statistical properties of the local density of states of a one-dimensional Dirac equation in the presence of various types of disorder with Gaussian white-noise distribution. It is shown how either the replica trick or supersymmetry can be used to calculate exactly all the moments of the local density of states. Careful attention is paid to how the results change if the local density of states is averaged over atomic length scales. For both the replica trick and supersymmetry the problem is reduced to finding the ground state of a zero-dimensional Hamiltonian which is written solely in terms of a pair of coupled 'spins' which are elements of u(1,1). This ground state is explicitly found for the particular case of the Dirac equation corresponding to an infinite metallic quantum wire with a single conduction channel. The calculated moments of the local density of states agree with those found previously by Al'tshuler and Prigodin [Sov. Phys. JETP 68 (1989) 198] using a technique based on recursion relations for Feynman diagrams

  5. Uncovering genes and ploidy involved in the high diversity in root hair density, length and response to local scarce phosphate in Arabidopsis thaliana.

    Directory of Open Access Journals (Sweden)

    Markus G Stetter

    Full Text Available Plant root hairs increase the root surface to enhance the uptake of sparingly soluble and immobile nutrients, such as the essential nutrient phosphorus, from the soil. Here, root hair traits and the response to scarce local phosphorus concentration were studied in 166 accessions of Arabidopsis thaliana using split plates. Root hair density and length were correlated, but highly variable among accessions. Surprisingly, the well-known increase in root hair density under low phosphorus was mostly restricted to genotypes that had less and shorter root hairs under P sufficient conditions. By contrast, several accessions with dense and long root hairs even had lower hair density or shorter hairs in local scarce phosphorus. Furthermore, accessions with whole-genome duplications developed more dense but phosphorus-insensitive root hairs. The impact of genome duplication on root hair density was confirmed by comparing tetraploid accessions with their diploid ancestors. Genome-wide association mapping identified candidate genes potentially involved in root hair responses tp scarce local phosphate. Knock-out mutants in identified candidate genes (CYR1, At1g32360 and RLP48 were isolated and differences in root hair traits in the mutants were confirmed. The large diversity in root hair traits among accessions and the diverse response when local phosphorus is scarce is a rich resource for further functional analyses.

  6. Ab initio quasi-particle approximation bandgaps of silicon nanowires calculated at density functional theory/local density approximation computational effort

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro, M., E-mail: ribeiro.jr@oorbit.com.br [Office of Operational Research for Business Intelligence and Technology, Principal Office, Buffalo, Wyoming 82834 (United States)

    2015-06-21

    Ab initio calculations of hydrogen-passivated Si nanowires were performed using density functional theory within LDA-1/2, to account for the excited states properties. A range of diameters was calculated to draw conclusions about the ability of the method to correctly describe the main trends of bandgap, quantum confinement, and self-energy corrections versus the diameter of the nanowire. Bandgaps are predicted with excellent accuracy if compared with other theoretical results like GW, and with the experiment as well, but with a low computational cost.

  7. Ab initio quasi-particle approximation bandgaps of silicon nanowires calculated at density functional theory/local density approximation computational effort

    International Nuclear Information System (INIS)

    Ribeiro, M.

    2015-01-01

    Ab initio calculations of hydrogen-passivated Si nanowires were performed using density functional theory within LDA-1/2, to account for the excited states properties. A range of diameters was calculated to draw conclusions about the ability of the method to correctly describe the main trends of bandgap, quantum confinement, and self-energy corrections versus the diameter of the nanowire. Bandgaps are predicted with excellent accuracy if compared with other theoretical results like GW, and with the experiment as well, but with a low computational cost

  8. Local and global properties of eigenfunctions and one-electron densities of Coulombic Schrödinger operators

    DEFF Research Database (Denmark)

    Fournais, Søren; Hoffmann-Ostenhof, Maria; Hoffmann-Ostenhof, Thomas

    2008-01-01

    We review recent results by the authors on the regularity of molecular eigenfunctions ψ and their corresponding one-electron densities ρ, as well as of the spherically averaged one-electron atomic density ρ. Furthermore, we prove an exponentially decreasing lower bound for ρ in the case when...

  9. A novel method to quantify local CpG methylation density by regional methylation elongation assay on microarray

    Directory of Open Access Journals (Sweden)

    Qiao Yingjuan

    2008-01-01

    Full Text Available Abstract Background DNA methylation based techniques are important tools in both clinical diagnostics and therapeutics. But most of these methods only analyze a few CpG sites in a target region. Indeed, difference of site-specific methylation may also lead to a change of methylation density in many cases, and it has been found that the density of methylation is more important than methylation of single CpG site for gene silencing. Results We have developed a novel approach for quantitative analysis of CpG methylation density on the basis of microarray-based hybridization and incorporation of Cy5-dCTP into the Cy3 labeled target DNA by using Taq DNA Polymerase on microarray. The quantification is achieved by measuring Cy5/Cy3 signal ratio which is proportional to methylation density. This methylation-sensitive technique, termed RMEAM (regional methylation elongation assay on microarray, provides several advantages over existing methods used for methylation analysis. It can determine an exact methylation density of the given region, and has potential of high throughput. We demonstrate a use of this method in determining the methylation density of the promoter region of the tumor-related gene MLH1, TERT and MGMT in colorectal carcinoma patients. Conclusion This technique allows for quantitative analysis of regional methylation density, which is the representative of all allelic methylation patterns in the sample. The results show that this technique has the characteristics of simplicity, rapidness, specificity and high-throughput.

  10. Local particle densities and global multiplicities in central heavy ion interactions at 3.7, 14.6, 60 and 200 A GeV

    International Nuclear Information System (INIS)

    Adamovich, M.I.; Alexandrov, Y.A.; Aggarwal, M.M.

    1992-03-01

    The energy and centrality dependence of local particle pseudorapidity densities as well as validity of various parametrizations of the distributions are examined. The dispersion, σ, of the rapidity density distribution of produced particles varies slowly with centrality and is 0.80, 0.98, 1.21 and 1.41 for central interactions at 3.7, 14.6, 60 and 200 A GeV incident energy, respectively. σ is found to be independent of the size of the interacting system at fixed energy. A novel way of representing the window dependence of the multiplicity as normalized variance versus inverse average multiplicity is outlined. (au)

  11. Local particle densities and global multiplicities in central heavy ion interactions at 3.7, 14.6, 60 and 200 A GeV

    International Nuclear Information System (INIS)

    Adamovich, M.I.; Alexandrov, Y.A.; Chernyavsky, M.M.; Gerassimov, S.G.; Larionova, V.G.; Maslennikova, N.V.; Orlova, G.I.; Peresadko, N.G.; Rappoport, V.M.; Salmanova, N.A.; Tretyakova, M.I.; Aggarwal, M.M.; Arora, R.; Bhatia, V.S.; Mittra, I.S.; Andreeva, N.P.; Anson, Z.V.; Bubnov, V.I.; Chasnikov, I.Y.; Eligbaeva, G.Z.; Eremenko, L.E.; Gaitinov, A.S.; Kalyachkina, G.S.; Kanygina, E.K.; Lepetan, V.N.; Shakhova, T.I.; Avetyan, F.A.; Marutyan, N.A.; Sarkisova, L.G.; Sarkisyan, V.R.; Badyal, S.K.; Bhasin, A.; Gupta, V.K.; Kachroo, S.; Kaul, G.L.; Kitroo, S.; Mangotra, L.K.; Rao, N.K.; Basova, E.; Nasrulaeva, H.; Nasyrov, S.H.; Petrov, N.V.; Qarshiev, D.A.; Trofimova, T.P.; Tuleeva, U.; Bhalla, K.B.; Gupta, S.K.; Kumar, V.; Lal, P.; Lokanathan, S.; Mookerjee, S.; Palsania, H.S.; Raniwala, R.; Raniwala, S.; Bogdanaov, V.G.; Plyushchev, V.A.; Solovjeva, Z.I.; Burnett, T.H.; Grote, J.; Lord, J.; Skelding, D.; Wilkes, R.J.; Chernova, L.P.; Gulamov, K.G.; Lukicheva, N.S.; Navotny, V.S.; Saidkhanov, N.; Shpilev, S.N.; Surin, E.L.; Svechnikova, L.N.; Zhochova, S.I.; Ganssauge, E.R.; Rhee, J.T.; Garpman, S.; Jakobsson, B.; Nystrand, J.; Otterlund, I.; Soederstroem, K.; Stenlund, E.; Heckman, H.H.; Cai, X.; Huang, H.; Liu, L.S.; Qian, W.Y.; Wang, H.Q.; Zhou, D.C.; Judek, B.; Just, L.; Tothova, M.; Karabova, M.; Vokal, S.; Krasnov, S.A.; Kulikova, S.; Maksimkina, T.N.; Shabratova, G.S.; Tolstov, K.D.; Luo, S.B.; Qin, Y.M.; Zhang, D.H.; Weng, Z.Q.; Xia, Y.L.; Xu, G.F.; Zheng, P.Y.

    1992-01-01

    The energy and centrality dependence of local particle pseudorapidity densities as well as validity of various parameterizations of the distributions are examined. The dispersion, σ, of the rapidity density distribution of produced particles varies slowly with centrality and is 0.80, 0.98, 1.21 and 1.41 for central interactions at 3.7, 14.6, 60 and 200 A GeV incident energy, respectively, σ is found to be independent of the size of the interacting system at fixed energy. A novel, way of representing the window dependence of the multiplicity as normalized variance versus inverse average multiplicity is outlined. (orig.)

  12. Proximal tibia volumetric bone mineral density is correlated to the magnitude of local acceleration in male long-distance runners

    OpenAIRE

    Dériaz, Olivier; Najafi, Bijan; Ballabeni, Pierluigi; Crettenand, Antoinette; Gobelet, Charles; Aminian, Kamiar; Rizzoli, René; Gremion, Gerald

    2010-01-01

    The beneficial effect of physical exercise on bone mineral density (BMD) is at least partly explained by the forces exerted directly on the bones. Male runners present generally higher BMD than sedentary individuals. We postulated that the proximal tibia BMD is related to the running distance, as well as to the magnitude of the shocks (while running) in male runners. A prospective study (three yearly measurements) included 81 healthy male subjects: 16 sedentary lean subjects, and 3 groups of ...

  13. Time-dependent density-functional theory simulation of local currents in pristine and single-defect zigzag graphene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    He, Shenglai, E-mail: shenglai.he@vanderbilt.edu; Russakoff, Arthur; Li, Yonghui; Varga, Kálmán, E-mail: kalman.varga@vanderbilt.edu [Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235 (United States)

    2016-07-21

    The spatial current distribution in H-terminated zigzag graphene nanoribbons (ZGNRs) under electrical bias is investigated using time-dependent density-functional theory solved on a real-space grid. A projected complex absorbing potential is used to minimize the effect of reflection at simulation cell boundary. The calculations show that the current flows mainly along the edge atoms in the hydrogen terminated pristine ZGNRs. When a vacancy is introduced to the ZGNRs, loop currents emerge at the ribbon edge due to electrons hopping between carbon atoms of the same sublattice. The loop currents hinder the flow of the edge current, explaining the poor electric conductance observed in recent experiments.

  14. Local strain energy density for the fatigue assessment of hot dip galvanized welded joints: some recent outcomes

    Directory of Open Access Journals (Sweden)

    M. Peron

    2017-10-01

    Full Text Available Since in literature only data about the effect of the hot-dip galvanizing coating on fatigue behavior of unnotched specimens are available, whereas very few for notched components and none for welded joints, the aim of this paper is to partially fill this lack of knowledge comparing fatigue strength of uncoated and hot-dip galvanized fillet welded cruciform joints made of structural steel S355 welded joints, subjected to a load cycle R = 0. 34. The results are shown in terms of stress range ?s and of the averaged strain energy density range DW in a control volume of radius R0 = 0.28 mm

  15. Energy Decomposition Analysis Based on Absolutely Localized Molecular Orbitals for Large-Scale Density Functional Theory Calculations in Drug Design.

    Science.gov (United States)

    Phipps, M J S; Fox, T; Tautermann, C S; Skylaris, C-K

    2016-07-12

    We report the development and implementation of an energy decomposition analysis (EDA) scheme in the ONETEP linear-scaling electronic structure package. Our approach is hybrid as it combines the localized molecular orbital EDA (Su, P.; Li, H. J. Chem. Phys., 2009, 131, 014102) and the absolutely localized molecular orbital EDA (Khaliullin, R. Z.; et al. J. Phys. Chem. A, 2007, 111, 8753-8765) to partition the intermolecular interaction energy into chemically distinct components (electrostatic, exchange, correlation, Pauli repulsion, polarization, and charge transfer). Limitations shared in EDA approaches such as the issue of basis set dependence in polarization and charge transfer are discussed, and a remedy to this problem is proposed that exploits the strictly localized property of the ONETEP orbitals. Our method is validated on a range of complexes with interactions relevant to drug design. We demonstrate the capabilities for large-scale calculations with our approach on complexes of thrombin with an inhibitor comprised of up to 4975 atoms. Given the capability of ONETEP for large-scale calculations, such as on entire proteins, we expect that our EDA scheme can be applied in a large range of biomolecular problems, especially in the context of drug design.

  16. Hybrid Density Functional Study of the Local Structures and Energy Levels of CaAl2O4:Ce3.

    Science.gov (United States)

    Lou, Bibo; Jing, Weiguo; Lou, Liren; Zhang, Yongfan; Yin, Min; Duan, Chang-Kui

    2018-05-03

    First-principles calculations were carried out for the electronic structures of Ce 3+ in calcium aluminate phosphors, CaAl 2 O 4 , and their effects on luminescence properties. Hybrid density functional approaches were used to overcome the well-known underestimation of band gaps of conventional density functional approaches and to calculate the energy levels of Ce 3+ ions more accurately. The obtained 4f-5d excitation and emission energies show good consistency with measured values. A detailed energy diagram of all three sites is obtained, which explains qualitatively all of the luminescent phenomena. With the results of energy levels calculated by combining the hybrid functional of Heyd, Scuseria, and Ernzerhof (HSE06) and the constraint occupancy approach, we are able to construct a configurational coordinate diagram to analyze the processes of capture of a hole or an electron and luminescence. This approach can be applied for systematic high-throughput calculations in predicting Ce 3+ activated luminescent materials with a moderate computing requirement.

  17. Decrease in local volumetric bone mineral density (vBMD) in osteoarthritic joints is associated with the increase in cartilage damage: a pQCT study

    Science.gov (United States)

    Tamaddon, Maryam; Chen, Shen Mao; Vanaclocha, Leyre; Hart, Alister; El-Husseiny, Moataz; Henckel, Johann; Liu, Chaozong

    2017-11-01

    Osteoarthritis (OA) is the most common type of arthritis and a major cause of disability in the adult population. It affects both cartilage and subchondral bone in the joints. There has been some progress in understanding the changes in subchondral bone with progression of osteoarthritis. However, local changes in subchondral bone such as microstructure or volumetric bone mineral density in connection with the defect in cartilage are relatively unexplored. To develop an effective treatment for progression of OA, it is important to understand how the physical environment provided by the subchondral bone affects the overlying cartilage. In this study we examined the volumetric bone mineral density (vBMD) distribution in the osteoarthritic joint tissues obtained from total hip replacement surgeries due to osteoarthritis, using peripheral quantitative CT (pQCT). It was found that there is a significant decrease in volumetric bone mineral density, which co-localises with the damage in the overlying cartilage. This was not limited to the subchondral bone immediately adjacent to the cartilage defect but continued in the layers below. Bone resorption and cyst formation in the OA tissues were also detected. We observed that the bone surrounding subchondral bone cysts exhibited much higher volumetric bone mineral density than that of the surrounding bones. PQCT was able to detect significant changes in vBMD between OA and non-OA samples, as well as between areas of different cartilage degeneration, which points to its potential as a technique for detection of early OA.

  18. Departures from local thermodynamic equilibrium in cutting arc plasmas derived from electron and gas density measurements using a two-wavelength quantitative Schlieren technique

    International Nuclear Information System (INIS)

    Prevosto, L.; Mancinelli, B.; Artana, G.; Kelly, H.

    2011-01-01

    A two-wavelength quantitative Schlieren technique that allows inferring the electron and gas densities of axisymmetric arc plasmas without imposing any assumption regarding statistical equilibrium models is reported. This technique was applied to the study of local thermodynamic equilibrium (LTE) departures within the core of a 30 A high-energy density cutting arc. In order to derive the electron and heavy particle temperatures from the inferred density profiles, a generalized two-temperature Saha equation together with the plasma equation of state and the quasineutrality condition were employed. Factors such as arc fluctuations that influence the accuracy of the measurements and the validity of the assumptions used to derive the plasma species temperature were considered. Significant deviations from chemical equilibrium as well as kinetic equilibrium were found at elevated electron temperatures and gas densities toward the arc core edge. An electron temperature profile nearly constant through the arc core with a value of about 14000-15000 K, well decoupled from the heavy particle temperature of about 1500 K at the arc core edge, was inferred.

  19. Plasmodium falciparum merozoite surface protein 1 - Glycosylation and localization to low-density, detergent-resistant membranes in the parasitized erythrocyte

    DEFF Research Database (Denmark)

    Hoessli, D.C.; Poincelet, M.; Gupta, Ramneek

    2003-01-01

    In addition to the major carbohydrate moieties of the glycosylphosphatidylinositol (GPI) anchor, we report that Plasmodium falciparum merozoite surface protein 1 (MSP-1) bears O-GlcNAc modifications predominantly in beta-anomeric configuration, in both the C- and N-terminal portions of the protein....... Subcellular fractionation of parasitized erythrocytes in the late trophozoite/schizont stage reveals that GPI-anchored C-terminal fragments of MSP-1 are recovered in Triton X-100 resistant, low-density membrane fractions. Our results suggest that O -GlcNAc-modified MSP-1 N-terminal fragments tend to localize...... within the parasitophorous vacuolar membrane while GPI-anchored MSP-1 C-terminal fragments associate with low-density, Triton X-100 resistant membrane domains (rafts), redistribute in the parasitized erythrocyte and are eventually shed as membrane vesicles that also contain the endogenous, GPI-linked CD...

  20. From coherent motion to localization: II. Dynamics of the spin-boson model with sub-Ohmic spectral density at zero temperature

    International Nuclear Information System (INIS)

    Wang Haobin; Thoss, Michael

    2010-01-01

    Graphical abstract: □□□ - Abstract: The dynamics of the spin-boson model at zero temperature is studied for a bath characterized by a sub-Ohmic spectral density. Using the numerically exact multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method, the population dynamics of the two-level subsystem has been investigated in a broad range of parameter space. The results show the transition of the dynamics from weakly damped coherent motion to localization upon increase of the system-bath coupling strength. Comparison of the exact ML-MCTDH simulations with the non-interacting blip approximation (NIBA) shows that the latter performs rather poorly in the weak coupling regime with small Kondo parameters. However, NIBA improves significantly upon increase in the coupling strength and is quantitatively correct in the strong coupling, nonadiabatic limit. The transition from coherent motion to localization as a function of the different parameters of the model is analyzed in some detail.

  1. Elements of non-relativistic quantum mechanics

    CERN Document Server

    Sobrino, Luis

    1996-01-01

    This book presents the basic structure of quantum mechanics, the elements needed to properly understand the subject and its applications. It is written at a level which is intermediate between the standard graduate textbooks, which it intends to supplement, and the more advanced mathematical writings in the subject. Particular attention is given to the concepts of kinematical and dynamical symmetries. The unifying thread that links the study of particles and systems of particles is the connection between Galilean invariance and the fundamental observables of a system. The mathematical appendic

  2. Classical trajectory in non-relativistic scattering

    International Nuclear Information System (INIS)

    Williams, A.C.

    1978-01-01

    With the statistical interpretation of quantum mechanics as a guide, the classical trajectory is incorporated into quantum scattering theory. The Feynman path integral formalism is used as a starting point, and classical transformation theory is applied to the phase of the wave function so derived. This approach is then used to derive an expression for the scattering amplitude for potential scattering. It is found that the amplitude can be expressed in an impact parameter representation similar to the Glauber formalism. Connections are then made to the Glauber approximation and to semiclassical approximations derived from the Feynman path integral formalism. In extending this analysis to projectile-nucleus scattering, an approximation scheme is given with the first term being the same as in Glauber's multiple scattering theory. Higher-order approximations, thus, are found to give corrections to the fixed scatterer form of the impulse approximation inherent in the Glauber theory

  3. Quantum mechanics non-relativistic theory

    CERN Document Server

    Landau, Lev Davidovich

    1977-01-01

    This edition has been completely revised to include some 20% of new material. Important recent developments such as the theory of Regge poles are now included. Many problems with solutions have been added to those already contained in the book.

  4. Non-relativistic anyons from holography

    Directory of Open Access Journals (Sweden)

    Niko Jokela

    2017-03-01

    Full Text Available We study generic types of holographic matter residing in Lifshitz invariant defect field theory as modeled by adding probe D-branes in the bulk black hole spacetime characterized by dynamical exponent z and with hyperscaling violation exponent θ. Our main focus will be on the collective excitations of the dense matter in the presence of an external magnetic field. Constraining the defect field theory to 2+1 dimensions, we will also allow the gauge fields become dynamical and study the properties of a strongly coupled anyonic fluid. We will deduce the universal properties of holographic matter and show that the Einstein relation always holds.

  5. Topological analysis of the electron density and of the electron localization function of pyrene and its radicals

    International Nuclear Information System (INIS)

    Hernandez-Trujillo, Jesus; Garcia-Cruz, Isidoro; Martinez-Magadan, Jose Manuel

    2005-01-01

    The topological properties of the charge distribution of pyrene and the three derived monoradicals in their ground state and of didehydrogenated pyrenes in the lowest singlet and triplet electronic states are discussed in detail by means of the quantum theory of atoms in molecules (TAIM) and by the electron localization function (ELF). The non-equivalence of the fused aromatic rings of pyrene prevents one from anticipating the stability and reactivity of these species from the chemistry of didehydrogenated species derived from benzene only. Whereas some of these didehydrogenated molecules were found to display a diradical character in the singlet ground state, the topological analysis reveals that others correspond to normal closed shells. Using these theoretical tools, the energetic and geometric details of o-, m- and p-benzyne-like pyrene derivatives are explained

  6. Vacancy migration energy dependence on local chemical environment in Fe–Cr alloys: A Density Functional Theory study

    Energy Technology Data Exchange (ETDEWEB)

    Costa, D., E-mail: davide.costa.ge@gmail.com [Unité Matériaux et Transformations, CNRS UMR8207, Université de Lille 1, F-59655 Villeneuve d’Ascq Cédex (France); EDF-R and D Département MMC, Les Renardières, F-77818 Moret sur Loing Cédex (France); Laboratoire commun (EDF–CNRS): Etude et Modélisation des Microstructures pour le Vieillissement des Matériaux (EM2VM) (France); Adjanor, G. [EDF-R and D Département MMC, Les Renardières, F-77818 Moret sur Loing Cédex (France); Laboratoire commun (EDF–CNRS): Etude et Modélisation des Microstructures pour le Vieillissement des Matériaux (EM2VM) (France); Becquart, C.S. [Unité Matériaux et Transformations, CNRS UMR8207, Université de Lille 1, F-59655 Villeneuve d’Ascq Cédex (France); Laboratoire commun (EDF–CNRS): Etude et Modélisation des Microstructures pour le Vieillissement des Matériaux (EM2VM) (France); Olsson, P. [Laboratoire commun (EDF–CNRS): Etude et Modélisation des Microstructures pour le Vieillissement des Matériaux (EM2VM) (France); KTH Royal Institute of Technology, Reactor Physics, Roslagstullsbacken 21, 106 91 Stockholm (Sweden); and others

    2014-09-15

    The first step towards the understanding and the modelling of the Fe–Cr alloy kinetic properties consists in estimating the migration energies related to the processes that drive the microstructure evolution. The vacancy’s migration barrier is expected to depend on the vacancy–migrating atom pair atomic environment as pointed out by Nguyen-Manh et al. or Bonny et al. In this paper, we address the issue of the dependence on the vacancy’s local atomic environment of both the vacancy migration energy and the configurational energy change ΔE that occurs when the vacancy jumps towards one of its nearest neighbour sites. A DFT approach is used to determine the ground state energy associated to a given configuration of the system. The results are interpreted in the light of the chromium–chromium and chromium–vacancy binding energies as well as the substitutional chromium atoms magnetic properties.

  7. Propositional systems in local field theories

    International Nuclear Information System (INIS)

    Banai, M.

    1980-07-01

    The authors investigate propositional systems for local field theories, which reflect intrinsically the uncertainties of measurements made on the physical system, and satisfy the isotony and local commutativity postulates of Haag and Kastler. The spacetime covariance can be implemented in natural way in these propositional systems. New techniques are introduced to obtain these propositional systems: the lattice-valued logics. The decomposition of the complete orthomodular lattice-valued logics shows that these logics are more general than the usual two-valued ones and that in these logics there is enough structure to characterize the classical and quantum, non relativistic and relativistic local field theories in a natural way. The Hilbert modules give the natural inner product ''spaces'' (modules) for the realization of the lattice-valued logics. (author)

  8. Magnetizability and rotational g tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals

    International Nuclear Information System (INIS)

    Loibl, Stefan; Schütz, Martin

    2014-01-01

    In this paper, we present theory and implementation of an efficient program for calculating magnetizabilities and rotational g tensors of closed-shell molecules at the level of local second-order Møller-Plesset perturbation theory (MP2) using London orbitals. Density fitting is employed to factorize the electron repulsion integrals with ordinary Gaussians as fitting functions. The presented program for the calculation of magnetizabilities and rotational g tensors is based on a previous implementation of NMR shielding tensors reported by S. Loibl and M. Schütz [J. Chem. Phys. 137, 084107 (2012)]. Extensive test calculations show (i) that the errors introduced by density fitting are negligible, and (ii) that the errors of the local approximation are still rather small, although larger than for nuclear magnetic resonance (NMR) shielding tensors. Electron correlation effects for magnetizabilities are tiny for most of the molecules considered here. MP2 appears to overestimate the correlation contribution of magnetizabilities such that it does not constitute an improvement over Hartree-Fock (when comparing to higher-order methods like CCSD(T)). For rotational g tensors the situation is different and MP2 provides a significant improvement in accuracy over Hartree-Fock. The computational performance of the new program was tested for two extended systems, the larger comprising about 2200 basis functions. It turns out that a magnetizability (or rotational g tensor) calculation takes about 1.5 times longer than a corresponding NMR shielding tensor calculation

  9. Localized Scrape-Off Layer density modifications by Ion Cyclotron near fields in JET and ASDEX-Upgrade L-mode plasmas

    Science.gov (United States)

    Colas, L.; Jacquet, Ph.; Van Eester, D.; Bobkov, V.; Brix, M.; Meneses, L.; Tamain, P.; Marsen, S.; Silva, C.; Carralero, D.; Kočan, M.; Müller, H.-W.; Crombé, K.; Křivska, A.; Goniche, M.; Lerche, E.; Rimini, F. G.; JET-EFDA Contributors

    2015-08-01

    Combining Lithium beam emission spectroscopy and edge reflectometry, localized Scrape-Off Layer (SOL) density modifications by Ion Cyclotron Range of Frequencies (ICRF) near fields were characterized in JET L-mode plasmas. When using the ICRF wave launchers connected magnetically to the Li-beam chord, the density decreased more steeply 2-3 cm outside the last closed flux surface (mapped onto the outer mid-plane) and its value at the outer limiter radial position was half the ohmic value. The depletion depends on the ICRF power and on the phasing between adjacent radiating straps. Convection due to ponderomotive effects and/or E × B0 drifts is suspected: during ICRF-heated H-mode discharges in 2013, DC potentials up to 70 V were measured locally in the outer SOL by a floating reciprocating probe, located toroidally several metres from the active antennas. These observations are compared with probe measurements on ASDEX-Upgrade. Their implications for wave coupling, heat loads and impurity production are discussed.

  10. Size-dependent oscillator strength and quantum efficiency of CdSe quantum dots controlled via the local density of states

    DEFF Research Database (Denmark)

    Leistikow, M.D.; Johansen, Jeppe; Kettelarij, A.J.

    2009-01-01

    We study experimentally time-resolved emission of colloidal CdSe quantum dots in an environment with a controlled local density of states LDOS. The decay rate is measured versus frequency and as a function of distance to a mirror. We observe a linear relation between the decay rate and the LDOS, ...... with the measured radiative rates. Our results are relevant for applications of CdSe quantum dots in spontaneous emission control and cavity quantum electrodynamics.......We study experimentally time-resolved emission of colloidal CdSe quantum dots in an environment with a controlled local density of states LDOS. The decay rate is measured versus frequency and as a function of distance to a mirror. We observe a linear relation between the decay rate and the LDOS......, allowing us to determine the size-dependent quantum efficiency and oscillator strength. We find that the quantum efficiency decreases with increasing emission energy mostly due to an increase in nonradiative decay. We manage to obtain the oscillator strength of the important class of CdSe quantum dots...

  11. Semi-analytical quasi-normal mode theory for the local density of states in coupled photonic crystal cavity-waveguide structures

    DEFF Research Database (Denmark)

    de Lasson, Jakob Rosenkrantz; Kristensen, Philip Trøst; Mørk, Jesper

    2015-01-01

    We present and validate a semi-analytical quasi-normal mode (QNM) theory for the local density of states (LDOS) in coupled photonic crystal (PhC) cavity-waveguide structures. By means of an expansion of the Green's function on one or a few QNMs, a closed-form expression for the LDOS is obtained, ......-trivial spectrum with a peak and a dip is found, which is reproduced only when including both the two relevant QNMs in the theory. In both cases, we find relative errors below 1% in the bandwidth of interest.......We present and validate a semi-analytical quasi-normal mode (QNM) theory for the local density of states (LDOS) in coupled photonic crystal (PhC) cavity-waveguide structures. By means of an expansion of the Green's function on one or a few QNMs, a closed-form expression for the LDOS is obtained......, and for two types of two-dimensional PhCs, with one and two cavities side-coupled to an extended waveguide, the theory is validated against numerically exact computations. For the single cavity, a slightly asymmetric spectrum is found, which the QNM theory reproduces, and for two cavities a non...

  12. Soft-x-ray emission and the local p-type partial density of electronic states in Y2O3: Experiment and theory

    International Nuclear Information System (INIS)

    Mueller, D.R.; Ederer, D.L.; van Ek, J.; OBrien, W.L.; Dong, Q.Y.; Jia, J.; Callcott, T.A.

    1996-01-01

    Photon-excited yttrium M IV,V , and electron-excited oxygen K x-ray emission spectra for yttrium oxide are presented. It is shown that, as in the case of yttrium metal, the decay of M IV vacancies does not contribute substantially to the oxide M IV,V emission. The valence emission is interpreted in a one-electron picture as a measure of the local p-type partial density of states. The yttrium and oxygen valence emission bands are very similar and strongly resemble published photoelectron spectra. Using local-density approximation electronic structure calculations, we show that the broadening of the Y-4p signal in yttrium oxide relative to Y metal are due to two inequivalent yttrium sites in Y 2 O 3 . Features present in the oxide, but not the metal spectrum, are the result of overlap (hybridization) between the Y-4p wave function and states in the oxygen 2s subband. copyright 1996 The American Physical Society

  13. Electronic structure of PrBa2Cu3O7: A local-spin-density approximation with on-site Coulomb interaction

    International Nuclear Information System (INIS)

    Biagini, M.; Calandra, C.; Ossicini, S.

    1995-01-01

    Electronic structure calculations based on the local-spin-density approximation (LSDA) fail to reproduce the antiferromagnetic ground state of PrBa 2 Cu 3 O 7 (PBCO). We have performed linear muffin-tin orbital--atomic sphere approximation calculations, based on the local-spin-density approximation with on-site Coulomb correlation applied to Cu(1) and Cu(2) 3d states. We have found that inclusion of the on-site Coulomb interaction modifies qualitatively the electronic structure of PBCO with respect to the LSDA results, and gives Cu spin moments in good agreement with the experimental values. The Cu(2) upper Hubbard band lies about 1 eV above the Fermi energy, indicating a Cu II oxidation state. On the other hand, the Cu(1) upper Hubbard band is located across the Fermi level, which implies an intermediate oxidation state for the Cu(1) ion, between Cu I and Cu II . The metallic character of the CuO chains is preserved, in agreement with optical reflectivity [K. Takenaka et al., Phys. Rev. B 46, 5833 (1992)] and positron annihilation experiments [L. Hoffmann et al., Phys. Rev. Lett. 71, 4047 (1993)]. These results support the view of an extrinsic origin of the insulating character of PrBa 2 Cu 3 O 7

  14. Endemic dengue associated with the co-circulation of multiple viral lineages and localized density-dependent transmission.

    Directory of Open Access Journals (Sweden)

    Jayna Raghwani

    2011-06-01

    Full Text Available Dengue is one of the most important infectious diseases of humans and has spread throughout much of the tropical and subtropical world. Despite this widespread dispersal, the determinants of dengue transmission in endemic populations are not well understood, although essential for virus control. To address this issue we performed a phylogeographic analysis of 751 complete genome sequences of dengue 1 virus (DENV-1 sampled from both rural (Dong Thap and urban (Ho Chi Minh City populations in southern Viet Nam during the period 2003-2008. We show that DENV-1 in Viet Nam exhibits strong spatial clustering, with likely importation from Cambodia on multiple occasions. Notably, multiple lineages of DENV-1 co-circulated in Ho Chi Minh City. That these lineages emerged at approximately the same time and dispersed over similar spatial regions suggests that they are of broadly equivalent fitness. We also observed an important relationship between the density of the human host population and the dispersion rate of dengue, such that DENV-1 tends to move from urban to rural populations, and that densely populated regions within Ho Chi Minh City act as major transmission foci. Despite these fluid dynamics, the dispersion rates of DENV-1 are relatively low, particularly in Ho Chi Minh City where the virus moves less than an average of 20 km/year. These low rates suggest a major role for mosquito-mediated dispersal, such that DENV-1 does not need to move great distances to infect a new host when there are abundant susceptibles, and imply that control measures should be directed toward the most densely populated urban environments.

  15. Local-scale modelling of density-driven flow for the phases of repository operation and post-closure at Beberg

    International Nuclear Information System (INIS)

    Jaquet, O.; Siegel, P.

    2004-09-01

    A hydrogeological model was developed for Beberg with the aim of evaluating the impact of a repository (for the operational and post-closure phases) while accounting for the effects of density-driven flow. Two embedded scales were taken into account for this modelling study: a local scale at which the granitic medium was considered as a continuum and a repository scale, where the medium is fractured and therefore was regarded to be discrete. The following step-wise approach was established to model density-driven flow at both repository and local scale: (a) modelling fracture networks at the repository scale, (b) upscaling the hydraulic properties to a continuum at local scale and (c) modelling density-driven flow to evaluate repository impact at local scale. The results demonstrate the strong impact of the repository on the flow field during the phase of operation. The distribution of the salt concentration is affected by a large upcoming effect with increased relative concentration and by the presence of fracture zones carrying freshwater from the surface. The concentrations obtained for the reference case, expressed in terms of percentage with respect to the maximum (prescribed) value in the model, are as follows: ca 30% for the phase of desaturation, and ca 20% for the resaturation phase. For the reference case, the impact of repository operations appears no longer visible after a resaturation period of about 20 years after repository closure; under resaturation conditions, evidence of the operational phase has already disappeared in terms of the observed hydraulic and concentration fields. Sensitivity calculations have proven the importance of explicitly discretising repository tunnels when assessing resaturation time and maximum concentration values. Furthermore, the definition of a fixed potential as boundary condition along the model's top surface is likely to provide underestimated values for the maximum concentration and overestimated flow rates in the

  16. On the stability of localized drift modes in the boundary layers of high density gas insulated plasmas

    International Nuclear Information System (INIS)

    Ohlsson, D.

    1977-11-01

    Gas blanket systems are of interest for mainly two reasons. First, plasma wall interaction effects are expected to be considerably reduced due to the presence of the surrounding neutral gas. Consequently the impurity radiation due to impurities originating from plasma wall interaction processes is probably eliminated to a large extent. Second, the fueling of a future thermonuclear reactor can take place in a natural way in gas blanket systems in the sense that neutrals can diffuse inwards at a suitable rate to replace burnt fuel under certain conditions. In this analysis we consider certain stability aspects of plasmas surrounded by neutral gas. In particular we consider the stability of localized collisional drift modes, in the cool partially ionized boundary regions. In these regions large pressure gradients are expected due to plasma neutral gas interaction effects. It is concluded that stability is possible within certain parameter ranges due to the presence of several stabilizing effects associated with finite Larmor radius and viscosity effects and coupling between dissipative effects directly or indirectly connected with plasma neutral gas interaction processes

  17. Comparative analysis of electron-density and electron-localization function for dinuclear manganese complexes with bridging boron- and carbon-centered ligands.

    Science.gov (United States)

    Götz, Kathrin; Kaupp, Martin; Braunschweig, Holger; Stalke, Dietmar

    2009-01-01

    Bonding in borylene-, carbene-, and vinylidene-bridged dinuclear manganese complexes [MnCp(CO)(2)](2)X (X = B-tBu, B = NMe(2), CH(2), C=CH(2)) has been compared by analyses based on quantum theory of atoms in molecules (QTAIM), on the electron-localization function (ELF), and by natural-population analyses. All of the density functional theory based analyses agree on the absence of a significant direct Mn-Mn bond in these complexes and confirm a dominance of delocalized bonding via the bridging ligand. Interestingly, however, the topology of both charge density and ELF related to the Mn-bridge-Mn bonding depend qualitatively on the chosen density functional (except for the methylene-bridged complex, which exhibits only one three-center-bonding attractor both in -nabla(2)rho and in ELF). While gradient-corrected functionals provide a picture with localized two-center X-Mn bonding, increasing exact-exchange admixture in hybrid functionals concentrates charge below the bridging atom and suggests a three-center bonding situation. For example, the bridging boron ligands may be described either as substituted boranes (e.g., at BLYP or BP86 levels) or as true bridging borylenes (e.g., at BHLYP level). This dependence on the theoretical level appears to derive from a bifurcation between two different bonding situations and is discussed in terms of charge transfer between X and Mn, and in the context of self-interaction errors exhibited by popular functionals.

  18. Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Gaigong [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Lin, Lin, E-mail: linlin@math.berkeley.edu [Department of Mathematics, University of California, Berkeley, Berkeley, CA 94720 (United States); Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Hu, Wei, E-mail: whu@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Yang, Chao, E-mail: cyang@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Pask, John E., E-mail: pask1@llnl.gov [Physics Division, Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States)

    2017-04-15

    Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn–Sham density functional theory in a pseudopotential framework. The adaptive local basis set is efficient and systematically improvable for total energy calculations. In this paper, we present the calculation of atomic forces, which can be used for a range of applications such as geometry optimization and molecular dynamics simulation. We demonstrate that, under mild assumptions, the computation of atomic forces can scale nearly linearly with the number of atoms in the system using the adaptive local basis set. We quantify the accuracy of the Hellmann–Feynman forces for a range of physical systems, benchmarked against converged planewave calculations, and find that the adaptive local basis set is efficient for both force and energy calculations, requiring at most a few tens of basis functions per atom to attain accuracies required in practice. Since the adaptive local basis set has implicit dependence on atomic positions, Pulay forces are in general nonzero. However, we find that the Pulay force is numerically small and systematically decreasing with increasing basis completeness, so that the Hellmann–Feynman force is sufficient for basis sizes of a few tens of basis functions per atom. We verify the accuracy of the computed forces in static calculations of quasi-1D and 3D disordered Si systems, vibration calculation of a quasi-1D Si system, and molecular dynamics calculations of H{sub 2} and liquid Al–Si alloy systems, where we show systematic convergence to benchmark planewave results and results from the literature.

  19. The localization-delocalization matrix and the electron-density-weighted connectivity matrix of a finite graphene nanoribbon reconstructed from kernel fragments.

    Science.gov (United States)

    Timm, Matthew J; Matta, Chérif F; Massa, Lou; Huang, Lulu

    2014-11-26

    Bader's quantum theory of atoms in molecules (QTAIM) and chemical graph theory, merged in the localization-delocalization matrices (LDMs) and the electron-density-weighted connectivity matrices (EDWCM), are shown to benefit in computational speed from the kernel energy method (KEM). The LDM and EDWCM quantum chemical graph matrices of a 66-atom C46H20 hydrogen-terminated armchair graphene nanoribbon, in 14 (2×7) rings of C2v symmetry, are accurately reconstructed from kernel fragments. (This includes the full sets of electron densities at 84 bond critical points and 19 ring critical points, and the full sets of 66 localization and 4290 delocalization indices (LIs and DIs).) The average absolute deviations between KEM and directly calculated atomic electron populations, obtained from the sum of the LIs and half of the DIs of an atom, are 0.0012 ± 0.0018 e(-) (∼0.02 ± 0.03%) for carbon atoms and 0.0007 ± 0.0003 e(-) (∼0.01 ± 0.01%) for hydrogen atoms. The integration errors in the total electron population (296 electrons) are +0.0003 e(-) for the direct calculation (+0.0001%) and +0.0022 e(-) for KEM (+0.0007%). The accuracy of the KEM matrix elements is, thus, probably of the order of magnitude of the combined precision of the electronic structure calculation and the atomic integrations. KEM appears capable of delivering not only the total energies with chemical accuracy (which is well documented) but also local and nonlocal properties accurately, including the DIs between the fragments (crossing fragmentation lines). Matrices of the intact ribbon, the kernels, the KEM-reconstructed ribbon, and errors are available as Supporting Information .

  20. Influence of disorder on localization and density of states in amorphous carbon nitride thin films systems rich in π-bonded carbon atoms

    International Nuclear Information System (INIS)

    Alibart, F.; Lejeune, M.; Durand Drouhin, O.; Zellama, K.; Benlahsen, M.

    2010-01-01

    We discuss in this paper the evolution of both the density of states (DOS) located between the band-tail states and the DOS around the Fermi level N(E F ) in amorphous carbon nitride films (a-CN x ) as a function of the total nitrogen partial pressure ratio in the Ar/N 2 plasma mixture. The films were deposited by three different deposition techniques and their microstructure was characterized using a combination of infrared and Raman spectroscopy and optical transmission experiments, completed with electrical conductivity measurements, as a function of temperature. The observed changes in the optoelectronic properties are attributed to the modification in the atomic bonding structures, which were induced by N incorporation, accompanied by an increase in the sp 2 carbon bonding configurations and their relative disorder. The electrical conductivity variation was interpreted in terms of local effects on the nature and energy distribution of π and π* states.

  1. A molecular dynamics investigation of the surface tension of water nanodroplets and a new technique for local pressure determination through density correlation

    Science.gov (United States)

    Leong, Kai-Yang; Wang, Feng

    2018-04-01

    The surface tension of nanoscale droplets of water was studied with molecular dynamics simulations using the BLYPSP-4F water potential. The internal pressure of the droplet was measured using an empirical correlation between the pressure and density, established through a series of bulk simulations performed at pressures from 1 to 1000 bars. Such a procedure allows for reliable determination of internal pressure without the need to calculate the local virial. The surface tension, estimated with the Young-Laplace relation, shows good agreement with the Tolman equation with a Tolman length of -0.48 Å. The interface of a liquid water droplet is shown to be around 1.1-1.3 nm thick depending on radii. The fairly thick interface region puts a lower limit on the size of droplets that still have a bulk-like interior.

  2. Circulating and intraprostatic sex steroid hormonal profiles in relation to male pattern baldness and chest hair density among men diagnosed with localized prostate cancers.

    Science.gov (United States)

    Zhou, Cindy Ke; Stanczyk, Frank Z; Hafi, Muhannad; Veneroso, Carmela C; Lynch, Barlow; Falk, Roni T; Niwa, Shelley; Emanuel, Eric; Gao, Yu-Tang; Hemstreet, George P; Zolfghari, Ladan; Carroll, Peter R; Manyak, Michael J; Sesterhenn, Isabell A; Levine, Paul H; Hsing, Ann W; Cook, Michael B

    2017-12-01

    Prospective cohort studies of circulating sex steroid hormones and prostate cancer risk have not provided a consistent association, despite evidence from animal and clinical studies. However, studies using male pattern baldness as a proxy of early-life or cumulative androgen exposure have reported significant associations with aggressive and fatal prostate cancer risk. Given that androgens underlie the development of patterned hair loss and chest hair, we assessed whether these two dermatological characteristics were associated with circulating and intraprostatic concentrations of sex steroid hormones among men diagnosed with localized prostate cancer. We included 248 prostate cancer patients from the NCI Prostate Tissue Study, who answered surveys and provided a pre-treatment blood sample as well as fresh frozen adjacent normal prostate tissue. Male pattern baldness and chest hair density were assessed by trained nurses before surgery. General linear models estimated geometric means and 95% confidence intervals (95%CIs) of each hormone variable by dermatological phenotype with adjustment for potential confounding variables. Subgroup analyses were performed by Gleason score (balding status with serum testosterone, dihydrotestosterone (DHT), estradiol, and sex hormone-binding globulin (SHBG), and a weak association with elevated intraprostatic testosterone. Conversely, neither circulating nor intraprostatic sex hormones were statistically significantly associated with chest hair density. Age-adjusted correlation between binary balding status and three-level chest hair density was weak (r = 0.05). There was little evidence to suggest that Gleason score or race modified these associations. This study provides evidence that balding status assessed at a mean age of 60 years may serve as a clinical marker for circulating sex hormone concentrations. The weak-to-null associations between balding status and intraprostatic sex hormones reaffirm differences in organ

  3. Local density of states in two-dimensional topological superconductors under a magnetic field: Signature of an exterior Majorana bound state

    Science.gov (United States)

    Suzuki, Shu-Ichiro; Kawaguchi, Yuki; Tanaka, Yukio

    2018-04-01

    We study quasiparticle states on a surface of a topological insulator (TI) with proximity-induced superconductivity under an external magnetic field. An applied magnetic field creates two Majorana bound states: a vortex Majorana state localized inside a vortex core and an exterior Majorana state localized along a circle centered at the vortex core. We calculate the spin-resolved local density of states (LDOS) and demonstrate that the shrinking of the radius of the exterior Majorana state, predicted in R. S. Akzyanov et al., Phys. Rev. B 94, 125428 (2016), 10.1103/PhysRevB.94.125428, under a strong magnetic field can be seen in LDOS without smeared out by nonzero-energy states. The spin-resolved LDOS further reveals that the spin of the exterior Majorana state is strongly spin-polarized. Accordingly, the induced odd-frequency spin-triplet pairs are found to be spin-polarized as well. In order to detect the exterior Majorana states, however, the Fermi energy should be closed to the Dirac point to avoid contributions from continuum levels. We also study a different two-dimensional topological-superconducting system where a two-dimensional electron gas with the spin-orbit coupling is sandwiched between an s -wave superconductor and a ferromagnetic insulator. We show that the radius of an exterior Majorana state can be tuned by an applied magnetic field. However, on the contrary to the results at a TI surface, neither the exterior Majorana state nor the induced odd-frequency spin-triplet pairs are spin-polarized. We conclude that the spin polarization of the Majorana state is attributed to the spin-polarized Landau level, which is characteristic for systems with the Dirac-like dispersion.

  4. 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

  5. MN15-L: A New Local Exchange-Correlation Functional for Kohn-Sham Density Functional Theory with Broad Accuracy for Atoms, Molecules, and Solids.

    Science.gov (United States)

    Yu, Haoyu S; He, Xiao; Truhlar, Donald G

    2016-03-08

    Kohn-Sham density functional theory is widely used for applications of electronic structure theory in chemistry, materials science, and condensed-matter physics, but the accuracy depends on the quality of the exchange-correlation functional. Here, we present a new local exchange-correlation functional called MN15-L that predicts accurate results for a broad range of molecular and solid-state properties including main-group bond energies, transition metal bond energies, reaction barrier heights, noncovalent interactions, atomic excitation energies, ionization potentials, electron affinities, total atomic energies, hydrocarbon thermochemistry, and lattice constants of solids. The MN15-L functional has the same mathematical form as a previous meta-nonseparable gradient approximation exchange-correlation functional, MN12-L, but it is improved because we optimized it against a larger database, designated 2015A, and included smoothness restraints; the optimization has a much better representation of transition metals. The mean unsigned error on 422 chemical energies is 2.32 kcal/mol, which is the best among all tested functionals, with or without nonlocal exchange. The MN15-L functional also provides good results for test sets that are outside the training set. A key issue is that the functional is local (no nonlocal exchange or nonlocal correlation), which makes it relatively economical for treating large and complex systems and solids. Another key advantage is that medium-range correlation energy is built in so that one does not need to add damped dispersion by molecular mechanics in order to predict accurate noncovalent binding energies. We believe that the MN15-L functional should be useful for a wide variety of applications in chemistry, physics, materials science, and molecular biology.

  6. New Insight into the Local Structure of Hydrous Ferric Arsenate Using Full-Potential Multiple Scattering Analysis, Density Functional Theory Calculations, and Vibrational Spectroscopy.

    Science.gov (United States)

    Wang, Shaofeng; Ma, Xu; Zhang, Guoqing; Jia, Yongfeng; Hatada, Keisuke

    2016-11-15

    Hydrous ferric arsenate (HFA) is an important arsenic-bearing precipitate in the mining-impacted environment and hydrometallurgical tailings. However, there is no agreement on its local atomic structure. The local structure of HFA was reprobed by employing a full-potential multiple scattering (FPMS) analysis, density functional theory (DFT) calculations, and vibrational spectroscopy. The FPMS simulations indicated that the coordination number of the As-Fe, Fe-As, or both in HFA was approximately two. The DFT calculations constructed a structure of HFA with the formula of Fe(HAsO 4 ) x (H 2 AsO 4 ) 1-x (OH) y ·zH 2 O. The presence of protonated arsenate in HFA was also evidenced by vibrational spectroscopy. The As and Fe K-edge X-ray absorption near-edge structure spectra of HFA were accurately reproduced by FPMS simulations using the chain structure, which was also a reasonable model for extended X-Ray absorption fine structure fitting. The FPMS refinements indicated that the interatomic Fe-Fe distance was approximately 5.2 Å, consistent with that obtained by Mikutta et al. (Environ. Sci. Technol. 2013, 47 (7), 3122-3131) using wavelet analysis. All of the results suggested that HFA was more likely to occur as a chain with AsO 4 tetrahedra and FeO 6 octahedra connecting alternately in an isolated bidentate-type fashion. This finding is of significance for understanding the fate of arsenic and the formation of ferric arsenate minerals in an acidic environment.

  7. The semiclassical density of states for the quantum asymmetric top

    International Nuclear Information System (INIS)

    Agnew, Alfonso; Bourget, Alain

    2008-01-01

    In the quantization of a rotating rigid body, a top, one is concerned with the Hamiltonian operator L α = α 2 0 L 2 x + α 2 1 L 2 y + α 2 2 L 2 z , where α 0 ≤ α 1 ≤ α 2 . An explicit formula is known for the eigenvalues of L α in the case of the spherical top (α 1 = α 2 = α 3 ) and symmetrical top (α 1 = α 2 ≠ α 3 ) (Landau and Lifshitz 1981 Quantum Mechanics: Non-Relativistic Theory 3rd edn (Portsmouth, NH: Butterworth-Heinemann)). However, for the asymmetrical top, no such explicit expression exists, and the study of the spectrum is much more complex. In this paper, we compute the semiclassical density of states for the eigenvalues of the family of operators L α = α 2 0 L 2 x + α 2 1 L 2 y + α 2 2 L 2 z for any α 0 1 2

  8. C-E setpoint methodology. C-E local power density and DNB LSSS and LCO setpoint methodology for analog protection systems

    International Nuclear Information System (INIS)

    1976-04-01

    A description is presented of the methodology presently in use by Combustion Engineering to calculate Limiting Safety System Setting (LSSS) for the Local Power Density and Thermal Margin Trip Systems and Limiting Conditions for Operation (LCO) to assure that the specified acceptable fuel design limits are not exceeded during the design basis anticipated operational occurrences. The C-E Nuclear Steam Supply Systems for which the report is applicable are those incorporating the analog reactor protection system and licensed under the requirements of 10CFR50, Appendix A. The design basis events to be accommodated by the subject LSSS and LCO are discussed, and the methods to assure the required protection system response and initial required margin are described. The calculational techniques used to represent the specified acceptable fuel design limits in terms of monitored reactor parameters are provided. Using the resultant limits as a base, the methodology to synthesize the subject LSSS and LCO in terms of the parameters processed by the protection and monitoring systems is described

  9. Implication of nonintegral occupation number and Fermi-Dirac statistics in the local-spin-density approximation applied to finite systems

    International Nuclear Information System (INIS)

    Dhar, S.

    1989-01-01

    In electronic-structure calculations for finite systems using the local-spin-density (LSD) approximation, it is assumed that the eigenvalues of the Kohn-Sham equation should obey Fermi-Dirac (FD) statistics. In order to comply with this assumption for some of the transition-metal atoms, a nonintegral occupation number is used which also minimizes the total energy. It is shown here that for finite systems it is not necessary that the eigenvalues of the Kohn-Sham equation obey FD statistics. It is also shown that the Kohn-Sham exchange potential used in all LSD models is correct only for integer occupation number. With a noninteger occupation number the LSD exchange potential will be smaller than that given by the Kohn-Sham potential. Ab initio self-consistent spin-polarized calculations have been performed numerically for the total energy of an iron atom. It is found that the ground state belongs to the 3d 6 4s 2 configuration. The ionization potentials of all the Fe/sup n/ + ions are reported and are in agreement with experiment

  10. Stability of Non-Neutral Plasma Cylinder Consisting of Magnetized Cold Electrons and of Small Density Fraction of Ions Born at Rest: Non-Local Analysis

    International Nuclear Information System (INIS)

    Yeliseyev, Y. N.

    2009-01-01

    The non-local stability problem of the plasma cylinder, filled with 'cold' magnetized rigidly rotating electrons, and a small density fraction of ions, is solved. The ions are supposed to be born at rest by ionization of background gas. The study is based on the kinetic description of ions. The equilibrium distribution function, taking into account the peculiarity of ions birth, is used. The radial electric field is caused by space charge of non-neutral plasma. The dispersion equation for plasma eigen frequencies is obtained analytically. It is valid within the total admissible range of values of electric and magnetic fields. Normalized eigen frequencies ω'/Ω i are calculated for the basic azimuth mode m = 1(ω' ω-mω i + , ω + = (-ω ci +Ω i )/2, Ω i (ω ci 2 -4eE r /m i r) 1/2 is called the 'modified' ion cyclotron (MIC) frequency), for the density fraction of ions of atomic nitrogen f N i /n e = 0,01 and are presented in graphic form versus parameter 2ω pe 2 /ω ce 2 . The spectra of oscillations ω'/Ω i consist of the family of electron Trivel-piece--Gould (TG) modes and of the families of MIC modes. The frequencies of MIC modes are located in a small vicinity of harmonics of the MIC frequency Ω i above and below the harmonic. The TG modes in non-neutral plasma fall in the region of MIC frequencies Ω i and interact strongly with MIC modes. The slow TG modes become unstable near the crossings with non-negative harmonics of MIC frequencies. The instabilities have a resonant character. The lowest radial TG mode has a maximum growth rate at crossing with a zero harmonic of Ω i ((Im ω'/Ω i ) max ≅0,074). The growth rates of MIC modes are much lower ((Im ω'/Ω i ) max pe 2 /ω ce 2 , corresponding to strong radial electric fields (ω ci 2 r /m i r|), in which the ions are unmagnetized. The oscillations of small amplitude are seen on some frequency dependencies of MIC modes. They are similar to oscillations on dispersion curves of electron waves in

  11. TU-AB-BRA-03: Atlas-Based Algorithms with Local Registration-Goodness Weighting for MRI-Driven Electron Density Mapping

    Energy Technology Data Exchange (ETDEWEB)

    Farjam, R; Tyagi, N [Memorial Sloan-Kettering Cancer Center, New York, NY (United States); Veeraraghavan, H; Apte, A; Zakian, K; Deasy, J [Memorial Sloan Kettering Cancer Center, New York, NY (United States); Hunt, M [Mem Sloan-Kettering Cancer Center, New York, NY (United States)

    2016-06-15

    Purpose: To develop image-analysis algorithms to synthesize CT with accurate electron densities for MR-only radiotherapy of head & neck (H&N) and pelvis anatomies. Methods: CT and 3T-MRI (Philips, mDixon sequence) scans were randomly selected from a pool of H&N (n=11) and pelvis (n=12) anatomies to form an atlas. All MRIs were pre-processed to eliminate scanner and patient-induced intensity inhomogeneities and standardize their intensity histograms. CT and MRI for each patient were then co-registered to construct CT-MRI atlases. For more accurate CT-MR fusion, bone intensities in CT were suppressed to improve the similarity between CT and MRI. For a new patient, all CT-MRI atlases are deformed onto the new patients’ MRI initially. A newly-developed generalized registration error (GRE) metric was then calculated as a measure of local registration accuracy. The synthetic CT value at each point is a 1/GRE-weighted average of CTs from all CT-MR atlases. For evaluation, the mean absolute error (MAE) between the original and synthetic CT (generated in a leave-one-out scheme) was computed. The planning dose from the original and synthetic CT was also compared. Results: For H&N patients, MAE was 67±9, 114±22, and 116±9 HU over the entire-CT, air and bone regions, respectively. For pelvis anatomy, MAE was 47±5 and 146±14 for the entire and bone regions. In comparison with MIRADA medical, an FDA-approved registration tool, we found that our proposed registration strategy reduces MAE by ∼30% and ∼50% over the entire and bone regions, respectively. GRE-weighted strategy further lowers MAE by ∼15% to ∼40%. Our primary dose calculation also showed highly consistent results between the original and synthetic CT. Conclusion: We’ve developed a novel image-analysis technique to synthesize CT for H&N and pelvis anatomies. Our proposed image fusion strategy and GRE metric help generate more accurate synthetic CT using locally more similar atlases (Support: Philips

  12. TU-AB-BRA-03: Atlas-Based Algorithms with Local Registration-Goodness Weighting for MRI-Driven Electron Density Mapping

    International Nuclear Information System (INIS)

    Farjam, R; Tyagi, N; Veeraraghavan, H; Apte, A; Zakian, K; Deasy, J; Hunt, M

    2016-01-01

    Purpose: To develop image-analysis algorithms to synthesize CT with accurate electron densities for MR-only radiotherapy of head & neck (H&N) and pelvis anatomies. Methods: CT and 3T-MRI (Philips, mDixon sequence) scans were randomly selected from a pool of H&N (n=11) and pelvis (n=12) anatomies to form an atlas. All MRIs were pre-processed to eliminate scanner and patient-induced intensity inhomogeneities and standardize their intensity histograms. CT and MRI for each patient were then co-registered to construct CT-MRI atlases. For more accurate CT-MR fusion, bone intensities in CT were suppressed to improve the similarity between CT and MRI. For a new patient, all CT-MRI atlases are deformed onto the new patients’ MRI initially. A newly-developed generalized registration error (GRE) metric was then calculated as a measure of local registration accuracy. The synthetic CT value at each point is a 1/GRE-weighted average of CTs from all CT-MR atlases. For evaluation, the mean absolute error (MAE) between the original and synthetic CT (generated in a leave-one-out scheme) was computed. The planning dose from the original and synthetic CT was also compared. Results: For H&N patients, MAE was 67±9, 114±22, and 116±9 HU over the entire-CT, air and bone regions, respectively. For pelvis anatomy, MAE was 47±5 and 146±14 for the entire and bone regions. In comparison with MIRADA medical, an FDA-approved registration tool, we found that our proposed registration strategy reduces MAE by ∼30% and ∼50% over the entire and bone regions, respectively. GRE-weighted strategy further lowers MAE by ∼15% to ∼40%. Our primary dose calculation also showed highly consistent results between the original and synthetic CT. Conclusion: We’ve developed a novel image-analysis technique to synthesize CT for H&N and pelvis anatomies. Our proposed image fusion strategy and GRE metric help generate more accurate synthetic CT using locally more similar atlases (Support: Philips

  13. What and Where in auditory sensory processing: A high-density electrical mapping study of distinct neural processes underlying sound object recognition and sound localization

    Directory of Open Access Journals (Sweden)

    Victoria M Leavitt

    2011-06-01

    Full Text Available Functionally distinct dorsal and ventral auditory pathways for sound localization (where and sound object recognition (what have been described in non-human primates. A handful of studies have explored differential processing within these streams in humans, with highly inconsistent findings. Stimuli employed have included simple tones, noise bursts and speech sounds, with simulated left-right spatial manipulations, and in some cases participants were not required to actively discriminate the stimuli. Our contention is that these paradigms were not well suited to dissociating processing within the two streams. Our aim here was to determine how early in processing we could find evidence for dissociable pathways using better titrated what and where task conditions. The use of more compelling tasks should allow us to amplify differential processing within the dorsal and ventral pathways. We employed high-density electrical mapping using a relatively large and environmentally realistic stimulus set (seven animal calls delivered from seven free-field spatial locations; with stimulus configuration identical across the where and what tasks. Topographic analysis revealed distinct dorsal and ventral auditory processing networks during the where and what tasks with the earliest point of divergence seen during the N1 component of the auditory evoked response, beginning at approximately 100 ms. While this difference occurred during the N1 timeframe, it was not a simple modulation of N1 amplitude as it displayed a wholly different topographic distribution to that of the N1. Global dissimilarity measures using topographic modulation analysis confirmed that this difference between tasks was driven by a shift in the underlying generator configuration. Minimum norm source reconstruction revealed distinct activations that corresponded well with activity within putative dorsal and ventral auditory structures.

  14. Simulating Ru L3-edge X-ray absorption spectroscopy with time-dependent density functional theory: model complexes and electron localization in mixed-valence metal dimers.

    Science.gov (United States)

    Van Kuiken, Benjamin E; Valiev, Marat; Daifuku, Stephanie L; Bannan, Caitlin; Strader, Matthew L; Cho, Hana; Huse, Nils; Schoenlein, Robert W; Govind, Niranjan; Khalil, Munira

    2013-05-30

    Ruthenium L3-edge X-ray absorption (XA) spectroscopy probes unoccupied 4d orbitals of the metal atom and is increasingly being used to investigate the local electronic structure in ground and excited electronic states of Ru complexes. The simultaneous development of computational tools for simulating Ru L3-edge spectra is crucial for interpreting the spectral features at a molecular level. This study demonstrates that time-dependent density functional theory (TDDFT) is a viable and predictive tool for simulating ruthenium L3-edge XA spectroscopy. We systematically investigate the effects of exchange correlation functional and implicit and explicit solvent interactions on a series of Ru(II) and Ru(III) complexes in their ground and electronic excited states. The TDDFT simulations reproduce all of the experimentally observed features in Ru L3-edge XA spectra within the experimental resolution (0.4 eV). Our simulations identify ligand-specific charge transfer features in complicated Ru L3-edge spectra of [Ru(CN)6](4-) and Ru(II) polypyridyl complexes illustrating the advantage of using TDDFT in complex systems. We conclude that the B3LYP functional most accurately predicts the transition energies of charge transfer features in these systems. We use our TDDFT approach to simulate experimental Ru L3-edge XA spectra of transition metal mixed-valence dimers of the form [(NC)5M(II)-CN-Ru(III)(NH3)5](-) (where M = Fe or Ru) dissolved in water. Our study determines the spectral signatures of electron delocalization in Ru L3-edge XA spectra. We find that the inclusion of explicit solvent molecules is necessary for reproducing the spectral features and the experimentally determined valencies in these mixed-valence complexes. This study validates the use of TDDFT for simulating Ru 2p excitations using popular quantum chemistry codes and providing a powerful interpretive tool for equilibrium and ultrafast Ru L3-edge XA spectroscopy.

  15. GROUND-BASED Paα NARROW-BAND IMAGING OF LOCAL LUMINOUS INFRARED GALAXIES. I. STAR FORMATION RATES AND SURFACE DENSITIES

    Energy Technology Data Exchange (ETDEWEB)

    Tateuchi, Ken; Konishi, Masahiro; Motohara, Kentaro; Takahashi, Hidenori; Kato, Natsuko Mitani; Kitagawa, Yutaro; Todo, Soya; Toshikawa, Koji; Sako, Shigeyuki; Uchimoto, Yuka K.; Ohsawa, Ryou; Asano, Kentaro; Kamizuka, Takafumi; Nakamura, Tomohiko; Okada, Kazushi [Institute of Astronomy, Graduate School of Science, The University of Tokyo, 2-21-1 Osawa, Mitaka, Tokyo 181-0015 (Japan); Ita, Yoshifusa [Astronomical Institute, Tohoku University, 6-3 Aoba, Aramaki, Aoba-ku, Sendai, Miyagi 980-8578 (Japan); Komugi, Shinya [Division of Liberal Arts, Kogakuin University, 2665-1, Hachioji, Tokyo 192-0015 (Japan); Koshida, Shintaro [Subaru Telescope, National Astronomical Observatory of Japan, Hilo, HI 96720 (United States); Manabe, Sho [Department of Earth and Planetary Sciences, Kobe University, Kobe 657-8501 (Japan); Nakashima, Asami, E-mail: tateuchi@ioa.s.u-tokyo.ac.jp [Department of Astronomy, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); and others

    2015-03-15

    Luminous infrared galaxies (LIRGs) are enshrouded by a large amount of dust produced by their active star formation, and it is difficult to measure their activity in optical wavelengths. We have carried out Paα narrow-band imaging observations of 38 nearby star forming galaxies including 33 LIRGs listed in the IRAS Revised Bright Galaxy Sample catalog with the Atacama Near InfraRed camera on the University of Tokyo Atacama Observatory (TAO) 1.0 m telescope (miniTAO). Star formation rates (SFRs) estimated from the Paα fluxes, corrected for dust extinction using the Balmer decrement method (typically A{sub V} ∼ 4.3 mag), show a good correlation with those from the bolometric infrared luminosity of the IRAS data within a scatter of 0.27 dex. This suggests that the correction of dust extinction for the Paα flux is sufficient in our sample. We measure the physical sizes and surface densities of infrared luminosities (Σ{sub L(IR)}) and the SFR (Σ{sub SFR}) of star forming regions for individual galaxies, and we find that most of the galaxies follow a sequence of local ultra-luminous or luminous infrared galaxies (U/LIRGs) on the L(IR)-Σ{sub L(IR)} and SFR-Σ{sub SFR} plane. We confirm that a transition of the sequence from normal galaxies to U/LIRGs is seen at L(IR) = 8 × 10{sup 10} L {sub ☉}. Also, we find that there is a large scatter in physical size, different from normal galaxies or ULIRGs. Considering the fact that most U/LIRGs are merging or interacting galaxies, this scatter may be caused by strong external factors or differences in their merging stages.

  16. Stability of Non-Neutral Plasma Cylinder Consisting of Magnetized Cold Electrons and of Small Density Fraction of Ions Born at Rest: Non-Local Analysis

    Science.gov (United States)

    Yeliseyev, Y. N.

    2009-03-01

    The non-local stability problem of the plasma cylinder, filled with "cold" magnetized rigidly rotating electrons, and a small density fraction of ions, is solved. The ions are supposed to be born at rest by ionization of background gas. The study is based on the kinetic description of ions. The equilibrium distribution function, taking into account the peculiarity of ions birth, is used. The radial electric field is caused by space charge of non-neutral plasma. The dispersion equation for plasma eigen frequencies is obtained analytically. It is valid within the total admissible range of values of electric and magnetic fields. Normalized eigen frequencies ω'/Ωi are calculated for the basic azimuth mode m = 1 (ω' = ω-mωi+, ω+ = (-ωci+Ωi)/2, Ωi = (ωci2-4eEr/mir)1/2 is called the "modified" ion cyclotron (MIC) frequency), for the density fraction of ions of atomic nitrogen f = Ni/ne = 0,01 and are presented in graphic form versus parameter 2ωpe2/ωce2. The spectra of oscillations ω'/Ωi consist of the family of electron Trivel-piece—Gould (TG) modes and of the families of MIC modes. The frequencies of MIC modes are located in a small vicinity of harmonics of the MIC frequency Ωi above and below the harmonic. The TG modes in non-neutral plasma fall in the region of MIC frequencies Ωi and interact strongly with MIC modes. The slow TG modes become unstable near the crossings with non-negative harmonics of MIC frequencies. The instabilities have a resonant character. The lowest radial TG mode has a maximum growth rate at crossing with a zero harmonic of Ωi ((Im ω'/Ωi)max≈0,074). The growth rates of MIC modes are much lower ((Im ω'/Ωi)max≲0,002). Their instability has a threshold character. The instabilities of TG and MIC modes take place mainly at the values of parameter 2ωpe2/ωce2, corresponding to strong radial electric fields (ωci2≪|eEr/mir|), in which the ions are unmagnetized. The oscillations of small amplitude are seen on some frequency

  17. Multiphoton ionization of many-electron atoms and highly-charged ions in intense laser fields: a relativistic time-dependent density functional theory approach

    Science.gov (United States)

    Tumakov, Dmitry A.; Telnov, Dmitry A.; Maltsev, Ilia A.; Plunien, Günter; Shabaev, Vladimir M.

    2017-10-01

    We develop an efficient numerical implementation of the relativistic time-dependent density functional theory (RTDDFT) to study multielectron highly-charged ions subject to intense linearly-polarized laser fields. The interaction with the electromagnetic field is described within the electric dipole approximation. The resulting time-dependent relativistic Kohn-Sham (RKS) equations possess an axial symmetry and are solved accurately and efficiently with the help of the time-dependent generalized pseudospectral method. As a case study, we calculate multiphoton ionization probabilities of the neutral argon atom and argon-like xenon ion. Relativistic effects are assessed by comparison of our present results with existing non-relativistic data.

  18. The Correlation between the Triglyceride to High Density Lipoprotein Cholesterol Ratio and Computed Tomography-Measured Visceral Fat and Cardiovascular Disease Risk Factors in Local Adult Male Subjects

    OpenAIRE

    Park, Hye-Rin; Shin, Sae-Ron; Han, A Lum; Jeong, Yong Joon

    2015-01-01

    Background We studied the association between the triglyceride to high-density lipoprotein cholesterol ratio and computed tomography-measured visceral fat as well as cardiovascular risk factors among Korean male adults. Methods We measured triglycerides, high density lipoprotein cholesterol, body mass, waist circumference, fasting plasma glucose, hemoglobin A1c, systolic blood pressure, diastolic blood pressure, visceral fat, and subcutaneous fat among 372 Korean men. The visceral fat and sub...

  19. Optical density of states in ultradilute GaAsN alloy: Coexistence of free excitons and impurity band of localized and delocalized states

    Energy Technology Data Exchange (ETDEWEB)

    Bhuyan, Sumi; Pal, Bipul; Bansal, Bhavtosh, E-mail: bhavtosh@iiserkol.ac.in [Indian Institute of Science Education and Research Kolkata, Mohanpur Campus, Nadia 741252, West Bengal (India); Das, Sanat K.; Dhar, Sunanda [Department of Electronic Science, University of Calcutta, 92 A.P.C. Road, Kolkata 700009 (India)

    2014-07-14

    Optically active states in liquid phase epitaxy-grown ultra-dilute GaAsN are studied. The feature-rich low temperature photoluminescence spectrum has contributions from excitonic band states of the GaAsN alloy, and two types of defect states—localized and extended. The degree of delocalization for extended states both within the conduction and defect bands, characterized by the electron temperature, is found to be similar. The degree of localization in the defect band is analyzed by the strength of the phonon replicas. Stronger emission from these localized states is attributed to their giant oscillator strength.

  20. A theoretical study of the possibilities for localization of anomalous density distribution in rock by means of underground cosmic ray muon intensity measurements

    International Nuclear Information System (INIS)

    Jacobsson, L.; Joensson, G.; Kristiansson, K.; Malmqvist, L.

    1977-05-01

    The possibilities for in situ rock density determinations by means of sub-surface cosmic ray muon intensity measurements have been studied. The calculations are based on an hypothetical scintillation counter telescope intended for registration in a gallery. It is shown that fairly accurate density measurements are possible and that a certain spatial resolution can be achieved. The measurements are only influenced by the density distribution in the forward direction which can make the muon technique valuable in connection with gravity measurements. Different prospecting situations have been studied. It is found that in certain prospecting situations the accuracy needed for the indication of a massive ore body can be reached within an acceptable registration period. (Auth.)

  1. Factors influencing the local scale colonisation and change in density of a widespread invasive plant species, Lantana camara, in South India

    Directory of Open Access Journals (Sweden)

    Bharath Sundaram

    2015-04-01

    Full Text Available Identifying factors that underlie invasive species colonisation and change in density could provide valuable insights into the mechanisms of biological invasions and for invasive species management. We examined a suite of factors potentially influencing the landscape-level invasion of Lantana camara L., one of the most ubiquitous invasive species in South Asia. These factors included disturbance factors like forest fires, historical habitat modification, and edge effects, in addition to factors like propagule pressure and habitat suitability. We examined the relative importance of these factors on the colonisation and change in density of L. camara in the Biligiri Rangaswamy Temple Tiger Reserve, Western Ghats, India. We used extensive (1997–2008 datasets tracking the presence and abundance of L. camara and combined these with corresponding data on disturbances, propagule pressure, and habitat suitability. We used an information-theoretic model selection approach to determine the relative importance of each factor on the colonisation and change in density of L. camara. Colonisation was mainly a function of proximity to already established populations (i.e. propagule pressure, whereas increase in L. camara density appeared to be constrained by high fire frequency. Research and management efforts need to recognize the multi-dimensional nature of mechanisms underlying L. camara’s success during different invasion phases when strategizing interventions to mitigate its effects.

  2. Investigation of the properties of the flux and interaction of ultrahigh-energy cosmic rays by the method of local-muon-density spectra

    International Nuclear Information System (INIS)

    Bogdanov, A. G.; Gromushkin, D. M.; Kokoulin, R. P.; Mannocchi, G.; Petrukhin, A. A.; Saavedra, O.; Trinchero, G.; Chernov, D. V.; Shutenko, V. V.; Yashin, I. I.

    2010-01-01

    A new method for studying extensive air showers is considered. The method is based on the phenomenology of the localmuon density. It is shown that measurement ofmuon-density spectra at various zenith angles makes it possible to obtain information about the energy spectrum, mass composition, and interaction of cosmic rays over a broad range of energies (10 15 -10 18 eV) by using a single array of comparatively small size. The results obtained from a comparison of experimental data on muon bundles from the DECOR coordinate detector with the results of simulation performed under various assumptions on the properties of the primary flux and for various hadron-interaction models are presented, and possible versions of the interpretation of these results are discussed.

  3. Why Density Dependent Propulsion?

    Science.gov (United States)

    Robertson, Glen A.

    2011-01-01

    In 2004 Khoury and Weltman produced a density dependent cosmology theory they call the Chameleon, as at its nature, it is hidden within known physics. The Chameleon theory has implications to dark matter/energy with universe acceleration properties, which implies a new force mechanism with ties to the far and local density environment. In this paper, the Chameleon Density Model is discussed in terms of propulsion toward new propellant-less engineering methods.

  4. Localized superconductors

    International Nuclear Information System (INIS)

    Ma, M.; Lee, P.A.

    1985-01-01

    We study the effects of Anderson localization on superconductivity by using a Bardeen-Cooper-Schrieffer (BCS)-type trial wave function which pairs electrons in exact time-reversed eigenstates of the single-particle Hamiltonian. Within this approximation, and neglecting localization effects on the effective Coulomb repulsion and the electron-phonon coupling, we find that superconductivity persists below the mobility edge. In fact, Anderson's theorem is valid in the localized phase as long as rhoΔ 0 L/sup d/ > 1 (rho is the density of states averaged over +- Δ 0 of the Fermi energy, Δ 0 the BCS gap parameter, and L the localization length). Hence the gap order parameter Δ(r) remains uniform in space at the BCS value Δ 0 . The superfluid density and response to electromagnetic perturbations, however, show marked differences from the ''dirty superconductor'' regime. For rhoΔ 0 L/sup d/ < 1, Δ(r) fluctuates spatially and eventually drops to zero. In the limit when states are site localized, the system crosses over into the ''Anderson negative-U glass.'' Considerations beyond the trial wave-function approximation will speed up the destruction of superconductivity. The superconductor formed from localized states has the property that its quasiparticle excitations are also localized. Such excitations can be probed by observing the normal current in a tunneling junction

  5. The effect of CuO chains on the local density of states in the vortex phase of YBa2Cu3O7

    International Nuclear Information System (INIS)

    Atkinson, W A

    2009-01-01

    We examine the effects of the CuO chains on the density of states in the vortex phase in YBa 2 Cu 3 O 7 , via a calculation based on the tight-binding proximity model. In this model, chain superconductivity results from single-electron hopping between the intrinsically normal chains and intrinsically superconducting CuO 2 planes. The calculations are based on self-consistent solutions of the Bogolyubov-de Gennes equations for a bilayer consisting of a single CuO 2 layer and a single CuO chain layer. We find that, in addition to the dispersing resonances found in single-layer models, there are a second set of dispersing resonances, associated with the induced gap in the chain layer. These new resonances are highly anisotropic and distort the vortex core shape.

  6. Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals

    Energy Technology Data Exchange (ETDEWEB)

    Zuehlsdorff, T. J., E-mail: tjz21@cam.ac.uk; Payne, M. C. [Cavendish Laboratory, J. J. Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Hine, N. D. M. [Department of Physics, University of Warwick, Coventry CV4 7AL (United Kingdom); Haynes, P. D. [Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom)

    2015-11-28

    We present a solution of the full time-dependent density-functional theory (TDDFT) eigenvalue equation in the linear response formalism exhibiting a linear-scaling computational complexity with system size, without relying on the simplifying Tamm-Dancoff approximation (TDA). The implementation relies on representing the occupied and unoccupied subspaces with two different sets of in situ optimised localised functions, yielding a very compact and efficient representation of the transition density matrix of the excitation with the accuracy associated with a systematic basis set. The TDDFT eigenvalue equation is solved using a preconditioned conjugate gradient algorithm that is very memory-efficient. The algorithm is validated on a small test molecule and a good agreement with results obtained from standard quantum chemistry packages is found, with the preconditioner yielding a significant improvement in convergence rates. The method developed in this work is then used to reproduce experimental results of the absorption spectrum of bacteriochlorophyll in an organic solvent, where it is demonstrated that the TDA fails to reproduce the main features of the low energy spectrum, while the full TDDFT equation yields results in good qualitative agreement with experimental data. Furthermore, the need for explicitly including parts of the solvent into the TDDFT calculations is highlighted, making the treatment of large system sizes necessary that are well within reach of the capabilities of the algorithm introduced here. Finally, the linear-scaling properties of the algorithm are demonstrated by computing the lowest excitation energy of bacteriochlorophyll in solution. The largest systems considered in this work are of the same order of magnitude as a variety of widely studied pigment-protein complexes, opening up the possibility of studying their properties without having to resort to any semiclassical approximations to parts of the protein environment.

  7. Facile synthesis of semi-library of low charge density cationic polyesters from poly(alkylene maleate)s for efficient local gene delivery.

    Science.gov (United States)

    Yan, Huijie; Zhu, Dingcheng; Zhou, Zhuxian; Liu, Xin; Piao, Ying; Zhang, Zhen; Liu, Xiangrui; Tang, Jianbin; Shen, Youqing

    2018-03-30

    Cationic polymers are one of the main non-viral vectors for gene therapy, but their applications are hindered by the toxicity and inefficient transfection, particularly in the presence of serum or other biological fluids. While rational design based on the current understanding of gene delivery process has produced various cationic polymers with improved overall transfection, high-throughput parallel synthesis of libraries of cationic polymers seems a more effective strategy to screen out efficacious polymers. Herein, we demonstrate a novel platform for parallel synthesis of low cationic charge-density polyesters for efficient gene delivery. Unsaturated polyester poly(alkylene maleate) (PAM) readily underwent Michael-addition reactions with various mercaptamines to produce polyester backbones with pendant amine groups, poly(alkylene maleate mercaptamine)s (PAMAs). Variations of the alkylenes in the backbone and the mercaptamines on the side chain produced PAMAs with tunable hydrophobicity and DNA-condensation ability, the key parameters dominating transfection efficiency of the resulting polymer/DNA complexes (polyplexes). A semi-library of such PAMAs was exampled from 7 alkylenes and 18 mercaptamines, from which a lead PAMA, G-1, synthesized from poly(1,4-phenylene bis(methylene) maleate) and N,N-dimethylcysteamine, showed remarkable transfection efficiency even in the presence of serum, owing to its efficient lysosome-circumventing cellular uptake. Furthermore, G-1 polyplexes efficiently delivered the suicide gene pTRAIL to intraperitoneal tumors and elicited effective anticancer activity. Copyright © 2018 Elsevier Ltd. All rights reserved.

  8. Effect of neoadjuvant chemotherapy on low-density lipoprotein (LDL) receptor and LDL receptor-related protein 1 (LRP-1) receptor in locally advanced breast cancer

    International Nuclear Information System (INIS)

    Pires, L.A.; Hegg, R.; Freitas, F.R.; Tavares, E.R.; Almeida, C.P.; Baracat, E.C.; Maranhão, R.C.

    2012-01-01

    Low-density lipoprotein (LDL) receptors are overexpressed in most neoplastic cell lines and provide a mechanism for the internalization and concentration of drug-laden nanoemulsions that bind to these receptors. The aim of the present study was to determine whether the administration of standard chemotherapeutic schemes can alter the expression of LDL and LDL receptor-related protein 1 (LRP-1) receptors in breast carcinoma. Fragments of tumoral and normal breast tissue from 16 consecutive volunteer women with breast cancer in stage II or III were obtained from biopsies before the beginning of neoadjuvant chemotherapy and after chemotherapy, from fragments excised during mastectomy. Tissues were analyzed by immunohistochemistry for both receptors. Because complete response to treatment was achieved in 4 patients, only the tumors from 12 were analyzed. Before chemotherapy, there was overexpression of LDL receptor in the tumoral tissue compared to normal breast tissue in 8 of these patients. LRP-1 receptor overexpression was observed in tumors of 4 patients. After chemotherapy, expression of both receptors decreased in the tumors of 6 patients, increased in 4 and was unchanged in 2. Nonetheless, even when chemotherapy reduced receptors expression, the expression was still above normal. The fact that chemotherapy does not impair LDL receptors expression supports the use of drug carrier systems that target neoplastic cells by the LDL receptor endocytic pathway in patients on conventional chemotherapy

  9. Road density

    Data.gov (United States)

    U.S. Environmental Protection Agency — Road density is generally highly correlated with amount of developed land cover. High road densities usually indicate high levels of ecological disturbance. More...

  10. Antiferromagnetic vs. non-magnetic ε phase of solid oxygen. Periodic density functional theory studies using a localized atomic basis set and the role of exact exchange.

    Science.gov (United States)

    Ramírez-Solís, A; Zicovich-Wilson, C M; Hernández-Lamoneda, R; Ochoa-Calle, A J

    2017-01-25

    The question of the non-magnetic (NM) vs. antiferromagnetic (AF) nature of the ε phase of solid oxygen is a matter of great interest and continuing debate. In particular, it has been proposed that the ε phase is actually composed of two phases, a low-pressure AF ε 1 phase and a higher pressure NM ε 0 phase [Crespo et al., Proc. Natl. Acad. Sci. U. S. A., 2014, 111, 10427]. We address this problem through periodic spin-restricted and spin-polarized Kohn-Sham density functional theory calculations at pressures from 10 to 50 GPa using calibrated GGA and hybrid exchange-correlation functionals with Gaussian atomic basis sets. The two possible configurations for the antiferromagnetic (AF1 and AF2) coupling of the 0 ≤ S ≤ 1 O 2 molecules in the (O 2 ) 4 unit cell were studied. Full enthalpy-driven geometry optimizations of the (O 2 ) 4 unit cells were done to study the pressure evolution of the enthalpy difference between the non-magnetic and both antiferromagnetic structures. We also address the evolution of structural parameters and the spin-per-molecule vs. pressure. We find that the spin-less solution becomes more stable than both AF structures above 50 GPa and, crucially, the spin-less solution yields lattice parameters in much better agreement with experimental data at all pressures than the AF structures. The optimized AF2 broken-symmetry structures lead to large errors of the a and b lattice parameters when compared with experiments. The results for the NM model are in much better agreement with the experimental data than those found for both AF models and are consistent with a completely non-magnetic (O 2 ) 4 unit cell for the low-pressure regime of the ε phase.

  11. OCCIPITAL SOURCES OF RESTING STATE ALPHA RHYTHMS ARE RELATED TO LOCAL GRAY MATTER DENSITY IN SUBJECTS WITH AMNESIC MILD COGNITIVE IMPAIRMENT AND ALZHEIMER’S DISEASE

    Science.gov (United States)

    Claudio, Babiloni; Claudio, Del Percio; Marina, Boccardi; Roberta, Lizio; Susanna, Lopez; Filippo, Carducci; Nicola, Marzano; Andrea, Soricelli; Raffaele, Ferri; Ivano, Triggiani Antonio; Annapaola, Prestia; Serenella, Salinari; Rasser Paul, E; Erol, Basar; Francesco, Famà; Flavio, Nobili; Görsev, Yener; Durusu, Emek-Savaş Derya; Gesualdo, Loreto; Ciro, Mundi; Thompson Paul, M; Rossini Paolo, M.; Frisoni Giovanni, B

    2014-01-01

    Occipital sources of resting state electroencephalographic (EEG) alpha rhythms are abnormal, at the group level, in patients with amnesic mild cognitive impairment (MCI) and Alzheimer’s disease (AD). Here we evaluated the hypothesis that amplitude of these occipital sources is related to neurodegeneration in occipital lobe as measured by magnetic resonance imaging (MRI). Resting-state eyes-closed EEG rhythms were recorded in 45 healthy elderly (Nold), 100 MCI, and 90 AD subjects. Neurodegeneration of occipital lobe was indexed by weighted averages of gray matter density (GMD), estimated from structural MRIs. EEG rhythms of interest were alpha 1 (8–10.5 Hz) and alpha 2 (10.5–13 Hz). EEG cortical sources were estimated by low resolution brain electromagnetic tomography (LORETA). Results showed a positive correlation between occipital GMD and amplitude of occipital alpha 1 sources in Nold, MCI and AD subjects as a whole group (r=0.3, p=0.000004, N=235). Furthermore, there was a positive correlation between amplitude of occipital alpha 1 sources and cognitive status as revealed by Mini Mental State Evaluation (MMSE) score across all subjects (r=0.38, p=0.000001, N=235). Finally, amplitude of occipital alpha 1 sources allowed a moderate classification of individual Nold and AD subjects (sensitivity: 87.8%; specificity: 66.7%; area under the Receiver Operating Characteristic (ROC) curve: 0.81). These results suggest that the amplitude of occipital sources of resting state alpha rhythms is related to AD neurodegeneration in occipital lobe along pathological aging. PMID:25442118

  12. Intrinsic-density functionals

    International Nuclear Information System (INIS)

    Engel, J.

    2007-01-01

    The Hohenberg-Kohn theorem and Kohn-Sham procedure are extended to functionals of the localized intrinsic density of a self-bound system such as a nucleus. After defining the intrinsic-density functional, we modify the usual Kohn-Sham procedure slightly to evaluate the mean-field approximation to the functional, and carefully describe the construction of the leading corrections for a system of fermions in one dimension with a spin-degeneracy equal to the number of particles N. Despite the fact that the corrections are complicated and nonlocal, we are able to construct a local Skyrme-like intrinsic-density functional that, while different from the exact functional, shares with it a minimum value equal to the exact ground-state energy at the exact ground-state intrinsic density, to next-to-leading order in 1/N. We briefly discuss implications for real Skyrme functionals

  13. Lung density

    DEFF Research Database (Denmark)

    Garnett, E S; Webber, C E; Coates, G

    1977-01-01

    The density of a defined volume of the human lung can be measured in vivo by a new noninvasive technique. A beam of gamma-rays is directed at the lung and, by measuring the scattered gamma-rays, lung density is calculated. The density in the lower lobe of the right lung in normal man during quiet...... breathing in the sitting position ranged from 0.25 to 0.37 g.cm-3. Subnormal values were found in patients with emphsema. In patients with pulmonary congestion and edema, lung density values ranged from 0.33 to 0.93 g.cm-3. The lung density measurement correlated well with the findings in chest radiographs...... but the lung density values were more sensitive indices. This was particularly evident in serial observations of individual patients....

  14. Some questions in non-relativistic quantum scattering theory

    International Nuclear Information System (INIS)

    Amrein, W.O.

    1974-01-01

    This paper is mainly concerned with two problems: Is the set of scattering states identical with the subspace of absolute continuity of the Hamiltonian, H; and In what sense do the scattering states become free as t→+-infinity. Can one define wave operators. Other mathmatical problems are: Asymptotic behavior of momentum observables in the Heisenberg picture, asymptotic completeness of the wave operators, and unitarity of the scattering operator. (G.T.H.)

  15. Non-relativistic limit in a model of radiative flow

    Czech Academy of Sciences Publication Activity Database

    Nečasová, Šárka; Ducomet, B.

    2015-01-01

    Roč. 35, č. 2 (2015), s. 117-137 ISSN 0174-4747 R&D Projects: GA ČR GA13-00522S Institutional support: RVO:67985840 Keywords : radiation hydrodynamics * Navier-Stokes-Fourier system * weak solution Subject RIV: BA - General Mathematics http://www.degruyter.com/view/j/anly.2015.35.issue-2/anly-2012-1295/anly-2012-1295.xml

  16. The confined hydrogenoid ion in non-relativistic quantum electrodynamics

    CERN Document Server

    Amour, L

    2006-01-01

    We consider a system of a nucleus with an electron together with the quantized electromagnetic field. Instead of fixing the nucleus, the system is confined by its center of mass. This model is used in theoretical physics to explain the Lamb-Dicke and the M\\"ossbauer effects (see [CTDRG]). When an ultraviolet cut-off is imposed we initiate the spectral analysis of the Hamiltonian describing the system and we derive the existence of a ground state. This is achieved without conditions on the fine structure constant. [CTDRG] C. Cohen-Tannoudji, J. Dupont-Roc and G. Grynberg. Processus d'interaction entre photons et atomes. Edition du CNRS, 2001.

  17. Dark matter directional detection in non-relativistic effective theories

    International Nuclear Information System (INIS)

    Catena, Riccardo

    2015-01-01

    We extend the formalism of dark matter directional detection to arbitrary one-body dark matter-nucleon interactions. The new theoretical framework generalizes the one currently used, which is based on 2 types of dark matter-nucleon interaction only. It includes 14 dark matter-nucleon interaction operators, 8 isotope-dependent nuclear response functions, and the Radon transform of the first 2 moments of the dark matter velocity distribution. We calculate the recoil energy spectra at dark matter directional detectors made of CF 4 , CS 2 and 3 He for the 14 dark matter-nucleon interactions, using nuclear response functions recently obtained through numerical nuclear structure calculations. We highlight the new features of the proposed theoretical framework, and present our results for a spherical dark matter halo and for a stream of dark matter particles. This study lays the foundations for model independent analyses of dark matter directional detection experiments

  18. A new approach to experiments with non-relativistic antiprotons

    International Nuclear Information System (INIS)

    Poth, H.

    1990-05-01

    Is low-energy antiproton physics phasing out with the present round of experiments or are there good reasons to continue at an improved slow antiproton facility which could be located at a high intensity hadron accelerator? We point out, that there are four frontiers where substantial advances could be made. In particular, we discuss the low-energy frontier and emphasize that experiments with no-relativistic antiprotons would increase drastically the sensitivity and would reveal new effects. (orig.)

  19. Fiber bundles in non-relativistic quantum mechanics

    International Nuclear Information System (INIS)

    Moylan, P.

    1979-11-01

    The problem of describing a quantum-mechanical system with symmetry by a fiber bundle is considered. The quantization of a fiber bundle is introduced. Fiber bundles for the Kepler problem and the rotator are constructed. The fiber bundle concept provides a new model for a physical system: it provides a model for an elementary particle with extension having integral values of spin. 5 figures

  20. Non-relativistic limit in a model of radiative flow

    Czech Academy of Sciences Publication Activity Database

    Nečasová, Šárka; Ducomet, B.

    2015-01-01

    Roč. 35, č. 2 (2015), s. 117-137 ISSN 0174-4747 R&D Projects: GA ČR GA13-00522S Institutional support: RVO:67985840 Keywords : radiation hydrodynamics * Navier-Stokes-Fourier system * weak solution Subject RIV: BA - General Mathematics http://www.degruyter.com/view/j/anly.2015.35.issue-2/anly-2012-1295/anly-2012-1295. xml

  1. Dynamic of non relativistic electrons and protons in the plasmasphere

    International Nuclear Information System (INIS)

    Mendes Junior, O.; Pinto Junior, O.; Gonzalez, W.D.

    1985-01-01

    A study of the dynamics of electrons and protons inside the plasmasphere is presented. These particles are subjected to the geomagnetic field and to plasmaspheric electric fields, given by simple static models, during magnetically quiet and disturbed periods. (author) [pt

  2. Lorentz-like covariant equations of non-relativistic fluids

    International Nuclear Information System (INIS)

    Montigny, M de; Khanna, F C; Santana, A E

    2003-01-01

    We use a geometrical formalism of Galilean invariance to build various hydrodynamics models. It consists in embedding the Newtonian spacetime into a non-Euclidean 4 + 1 space and provides thereby a procedure that unifies models otherwise apparently unrelated. After expressing the Navier-Stokes equation within this framework, we show that slight modifications of its Lagrangian allow us to recover the Chaplygin equation of state as well as models of superfluids for liquid helium (with both its irrotational and rotational components). Other fluid equations are also expressed in a covariant form

  3. Orbital functionals in density-matrix- and current-density-functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Helbig, N

    2006-05-15

    Density-Functional Theory (DFT), although widely used and very successful in the calculation of several observables, fails to correctly describe strongly correlated materials. In the first part of this work we, therefore, introduce reduced-densitymatrix- functional theory (RDMFT) which is one possible way to treat electron correlation beyond DFT. Within this theory the one-body reduced density matrix (1- RDM) is used as the basic variable. Our main interest is the calculation of the fundamental gap which proves very problematic within DFT. In order to calculate the fundamental gap we generalize RDMFT to fractional particle numbers M by describing the system as an ensemble of an N and an N+1 particle system (with N{<=}M{<=}N+1). For each fixed particle number, M, the total energy is minimized with respect to the natural orbitals and their occupation numbers. This leads to the total energy as a function of M. The derivative of this function with respect to the particle number has a discontinuity at integer particle number which is identical to the gap. In addition, we investigate the necessary and sufficient conditions for the 1- RDM of a system with fractional particle number to be N-representable. Numerical results are presented for alkali atoms, small molecules, and periodic systems. Another problem within DFT is the description of non-relativistic many-electron systems in the presence of magnetic fields. It requires the paramagnetic current density and the spin magnetization to be used as basic variables besides the electron density. However, electron-gas-based functionals of current-spin-density-functional Theory (CSDFT) exhibit derivative discontinuities as a function of the magnetic field whenever a new Landau level is occupied, which makes them difficult to use in practice. Since the appearance of Landau levels is, intrinsically, an orbital effect it is appealing to use orbital-dependent functionals. We have developed a CSDFT version of the optimized

  4. Low Bone Density

    Science.gov (United States)

    ... Density Exam/Testing › Low Bone Density Low Bone Density Low bone density is when your bone density ... people with normal bone density. Detecting Low Bone Density A bone density test will determine whether you ...

  5. Smoothing densities under shape constraints

    OpenAIRE

    Davies, Paul Laurie; Meise, Monika

    2009-01-01

    In Davies and Kovac (2004) the taut string method was proposed for calculating a density which is consistent with the data and has the minimum number of peaks. The main disadvantage of the taut string density is that it is piecewise constant. In this paper a procedure is presented which gives a smoother density by minimizing the total variation of a derivative of the density subject to the number, positions and heights of the local extreme values obtained from the taut string density. 2...

  6. Holographic magnetisation density waves

    Energy Technology Data Exchange (ETDEWEB)

    Donos, Aristomenis [Centre for Particle Theory and Department of Mathematical Sciences, Durham University,Stockton Road, Durham, DH1 3LE (United Kingdom); Pantelidou, Christiana [Departament de Fisica Quantica i Astrofisica & Institut de Ciencies del Cosmos (ICC),Universitat de Barcelona,Marti i Franques 1, 08028 Barcelona (Spain)

    2016-10-10

    We numerically construct asymptotically AdS black brane solutions of D=4 Einstein theory coupled to a scalar and two U(1) gauge fields. The solutions are holographically dual to d=3 CFTs in a constant external magnetic field along one of the U(1)’s. Below a critical temperature the system’s magnetisation density becomes inhomogeneous, leading to spontaneous formation of current density waves. We find that the transition can be of second order and that the solutions which minimise the free energy locally in the parameter space of solutions have averaged stressed tensor of a perfect fluid.

  7. Level densities

    International Nuclear Information System (INIS)

    Ignatyuk, A.V.

    1998-01-01

    For any applications of the statistical theory of nuclear reactions it is very important to obtain the parameters of the level density description from the reliable experimental data. The cumulative numbers of low-lying levels and the average spacings between neutron resonances are usually used as such data. The level density parameters fitted to such data are compiled in the RIPL Starter File for the tree models most frequently used in practical calculations: i) For the Gilber-Cameron model the parameters of the Beijing group, based on a rather recent compilations of the neutron resonance and low-lying level densities and included into the beijing-gc.dat file, are chosen as recommended. As alternative versions the parameters provided by other groups are given into the files: jaeri-gc.dat, bombay-gc.dat, obninsk-gc.dat. Additionally the iljinov-gc.dat, and mengoni-gc.dat files include sets of the level density parameters that take into account the damping of shell effects at high energies. ii) For the backed-shifted Fermi gas model the beijing-bs.dat file is selected as the recommended one. Alternative parameters of the Obninsk group are given in the obninsk-bs.dat file and those of Bombay in bombay-bs.dat. iii) For the generalized superfluid model the Obninsk group parameters included into the obninsk-bcs.dat file are chosen as recommended ones and the beijing-bcs.dat file is included as an alternative set of parameters. iv) For the microscopic approach to the level densities the files are: obninsk-micro.for -FORTRAN 77 source for the microscopical statistical level density code developed in Obninsk by Ignatyuk and coworkers, moller-levels.gz - Moeller single-particle level and ground state deformation data base, moller-levels.for -retrieval code for Moeller single-particle level scheme. (author)

  8. On thermodynamic limits of entropy densities

    NARCIS (Netherlands)

    Moriya, H; Van Enter, A

    We give some sufficient conditions which guarantee that the entropy density in the thermodynamic limit is equal to the thermodynamic limit of the entropy densities of finite-volume (local) Gibbs states.

  9. Spin orbit coupling for molecular ab initio density matrix renormalization group calculations: Application to g-tensors

    Energy Technology Data Exchange (ETDEWEB)

    Roemelt, Michael, E-mail: michael.roemelt@theochem.rub.de [Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, D-44780 Bochum, Germany and Max-Planck Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr (Germany)

    2015-07-28

    Spin Orbit Coupling (SOC) is introduced to molecular ab initio density matrix renormalization group (DMRG) calculations. In the presented scheme, one first approximates the electronic ground state and a number of excited states of the Born-Oppenheimer (BO) Hamiltonian with the aid of the DMRG algorithm. Owing to the spin-adaptation of the algorithm, the total spin S is a good quantum number for these states. After the non-relativistic DMRG calculation is finished, all magnetic sublevels of the calculated states are constructed explicitly, and the SOC operator is expanded in the resulting basis. To this end, spin orbit coupled energies and wavefunctions are obtained as eigenvalues and eigenfunctions of the full Hamiltonian matrix which is composed of the SOC operator matrix and the BO Hamiltonian matrix. This treatment corresponds to a quasi-degenerate perturbation theory approach and can be regarded as the molecular equivalent to atomic Russell-Saunders coupling. For the evaluation of SOC matrix elements, the full Breit-Pauli SOC Hamiltonian is approximated by the widely used spin-orbit mean field operator. This operator allows for an efficient use of the second quantized triplet replacement operators that are readily generated during the non-relativistic DMRG algorithm, together with the Wigner-Eckart theorem. With a set of spin-orbit coupled wavefunctions at hand, the molecular g-tensors are calculated following the scheme proposed by Gerloch and McMeeking. It interprets the effective molecular g-values as the slope of the energy difference between the lowest Kramers pair with respect to the strength of the applied magnetic field. Test calculations on a chemically relevant Mo complex demonstrate the capabilities of the presented method.

  10. Simulating Ru L 3 -Edge X-ray Absorption Spectroscopy with Time-Dependent Density Functional Theory: Model Complexes and Electron Localization in Mixed-Valence Metal Dimers

    Energy Technology Data Exchange (ETDEWEB)

    Van Kuiken, Benjamin E.; Valiev, Marat; Daifuku, Stephanie L.; Bannan, Caitlin; Strader, Matthew L.; Cho, Hana; Huse, Nils; Schoenlein, Robert W.; Govind, Niranjan; Khalil, Munira

    2013-05-30

    Ruthenium L3-edge X-ray absorption (XA) spectroscopy probes unoccupied 4d orbitals of the metal atom and is increasingly being used to investigate the local electronic structure in ground and excited electronic states of Ru complexes. The simultaneous development of computational tools for simulating Ru L3-edge spectra is crucial for interpreting the spectral features at a molecular level. This study demonstrates that time-dependent density functional theory (TDDFT) is a viable and predictive tool for simulating ruthenium L3-edge XA spectroscopy. We systematically investigate the effects of exchange correlation functional and implicit and explicit solvent interactions on a series of RuII and RuIII complexes in their ground and electronic excited states. The TDDFT simulations reproduce all of the experimentally observed features in Ru L3-edge XA spectra within the experimental resolution (0.4 eV). Our simulations identify ligand-specific charge transfer features in complicated Ru L3-edge spectra of [Ru(CN)6]4- and RuII polypyridyl complexes illustrating the advantage of using TDDFT in complex systems. We conclude that the B3LYP functional most accurately predicts the transition energies of charge transfer features in these systems. We use our TDDFT approach to simulate experimental Ru L3-edge XA spectra of transition metal mixed-valence dimers of the form [(NC)5MII-CN-RuIII(NH3)5] (where M = Fe or Ru) dissolved in water. Our study determines the spectral signatures of electron delocalization in Ru L3-edge XA spectra. We find that the inclusion of explicit solvent molecules is necessary for reproducing the spectral features and the experimentally determined valencies in these mixed-valence complexes. This study validates the use of TDDFT for simulating Ru 2p excitations using popular quantum chemistry codes and providing a powerful interpretive tool for equilibrium and ultrafast Ru L3-edge XA spectroscopy.

  11. Nature of the bonding in the AuNgX (Ng = Ar, Kr, Xe; X = F, Cl, Br, I) molecules. Topological study on electron density and the electron localization function (ELF).

    Science.gov (United States)

    Makarewicz, Emilia; Gordon, Agnieszka J; Berski, Slawomir

    2015-03-19

    Topological analysis of the electron localization function (ELF) has been carried out for the AuNgX (Ng = Ar, Kr, Xe; X = F, Cl, Br, I) molecules using the wave function approximated by the CCSD, MP2, and DFT(B3LYP, M062X) methods including zero-order regular approximation (ZORA). In the Ng-F bond, the bonding disynaptic attractor V(Ng,F) is missing; therefore, there are no signs of the covalent binding. The nature of the Au-Ng bond depends on the computational method used. Analysis of the ELF carried out for the AuArF and AuXeF molecules, with the wave function approximated by the CCSD and MP2 methods, shows the V(Au,Ng) attractor possibly corresponding to a partially covalent binding between the gold and noble gas atom. However, its very small basin population (<1e) and a very large value of the variance of the basin population suggest that the Au-Ng bond has a very delocalized character. Such bond nature may be related to the charge shift concept with a resonance of the Au(-+)NgX, Au(+-)NgX hybrids. The weakest Au-Ng bond, in terms of the smallest amount of electron density for the V(Au,Ng) basin, is found for the AuKrF molecule with the CCSD method (0.13e). The MP2 method, however, does not yield any V(Au, Ng) population; hence, the covalent Au-Kr bond is not confirmed. Because the V(Au,Ng) attractor is also not observed with the DFT method, the proper characterization of the Au-Ng bond requires proper description of correlation effects. Additional studies on the Au2 and [AuXe](+) molecules, performed at the CCSD and B3LYP levels, exhibit no V(Au,Au) and V(Au,Xe) bonding basins either.

  12. Covariant Density Functionals: time-odd channel investigated

    International Nuclear Information System (INIS)

    Afanasjev, A. V.; Abusara, H.

    2009-01-01

    odd and odd-odd mass nuclei [7]. The impact of time-odd mean fields on the binding energies of ground states (the quantity of upmost importance in nuclear astrophysics studies), odd-even mass differences, and the structure of nuclei along the neutron- and proton-drip lines will be discussed. Whenever it is possible the results of the CDF studies will be compared with the ones obtained in the Hartree-Fock-(Bogoliubov) approaches based on non-relativistic Skyrme interaction. The similarities and differences between these approaches will be outlined.(author)

  13. Density-dependent effective baryon–baryon interaction from chiral three-baryon forces

    Energy Technology Data Exchange (ETDEWEB)

    Petschauer, Stefan, E-mail: stefan.petschauer@ph.tum.de [Physik Department, Technische Universität München, D-85747 Garching (Germany); Haidenbauer, Johann [Institute for Advanced Simulation, Institut für Kernphysik and Jülich Center for Hadron Physics, Forschungszentrum Jülich, D-52425 Jülich (Germany); Kaiser, Norbert [Physik Department, Technische Universität München, D-85747 Garching (Germany); Meißner, Ulf-G. [Institute for Advanced Simulation, Institut für Kernphysik and Jülich Center for Hadron Physics, Forschungszentrum Jülich, D-52425 Jülich (Germany); Helmholtz-Institut für Strahlen- und Kernphysik, Universität Bonn, D-53115 Bonn (Germany); Bethe Center for Theoretical Physics, Universität Bonn, D-53115 Bonn (Germany); Weise, Wolfram [Physik Department, Technische Universität München, D-85747 Garching (Germany)

    2017-01-15

    A density-dependent effective potential for the baryon–baryon interaction in the presence of the (hyper)nuclear medium is constructed, based on the leading (irreducible) three-baryon forces derived within SU(3) chiral effective field theory. We evaluate the contributions from three classes: contact terms, one-pion exchange and two-pion exchange. In the strangeness-zero sector we recover the known result for the in-medium nucleon–nucleon interaction. Explicit expressions for the ΛN in-medium potential in (asymmetric) nuclear matter are presented. Our results are suitable for implementation into calculations of (hyper)nuclear matter. In order to estimate the low-energy constants of the leading three-baryon forces we introduce the decuplet baryons as explicit degrees of freedom and construct the relevant terms in the minimal non-relativistic Lagrangian. With these, the constants are estimated through decuplet saturation. Utilizing this approximation we provide numerical results for the effect of the three-body force in symmetric nuclear matter and pure neutron matter on the ΛN interaction. A moderate repulsion that increases with density is found in comparison to the free ΛN interaction.

  14. Coulomb’s law corrections and fermion field localization in a tachyonic de Sitter thick braneworld

    International Nuclear Information System (INIS)

    Cartas-Fuentevilla, Roberto; Escalante, Alberto; Germán, Gabriel; Herrera-Aguilar, Alfredo; Mora-Luna, Refugio Rigel

    2016-01-01

    Following recent studies which show that it is possible to localize gravity as well as scalar and gauge vector fields in a tachyonic de Sitter thick braneworld, we investigate the solution of the gauge hierarchy problem, the localization of fermion fields in this model, the recovering of the Coulomb law on the non-relativistic limit of the Yukawa interaction between bulk fermions and gauge bosons localized in the brane, and confront the predicted 5D corrections to the photon mass with its upper experimental/observational bounds, finding the model physically viable since it passes these tests. In order to achieve the latter aims we first consider the Yukawa interaction term between the fermionic and the tachyonic scalar fields MF(T)ΨΨ-bar in the action and analyze four distinct tachyonic functions F(T) that lead to four different structures of the respective fermionic mass spectra with different physics. In particular, localization of the massless left-chiral fermion zero mode is possible for three of these cases. We further analyze the phenomenology of these Yukawa interactions among fermion fields and gauge bosons localized on the brane and obtain the crucial and necessary information to compute the corrections to Coulomb’s law coming from massive KK vector modes in the non-relativistic limit. These corrections are exponentially suppressed due to the presence of the mass gap in the mass spectrum of the bulk gauge vector field. From our results we conclude that corrections to Coulomb’s law in the thin brane limit have the same form (up to a numerical factor) as far as the left-chiral massless fermion field is localized on the brane. Finally we compute the corrections to the Coulomb’s law for an arbitrarily thick brane scenario which can be interpreted as 5D corrections to the photon mass. By performing consistent estimations with brane phenomenology, we found that the predicted corrections to the photon mass, which are well bounded by the experimentally

  15. Coulomb’s law corrections and fermion field localization in a tachyonic de Sitter thick braneworld

    Energy Technology Data Exchange (ETDEWEB)

    Cartas-Fuentevilla, Roberto; Escalante, Alberto [Instituto de Física, Benemérita Universidad Autónoma de Puebla,Apdo. postal J-48, 72570 Puebla, Pue. (Mexico); Germán, Gabriel [Instituto de Ciencias Físicas, Universidad Nacional Autónoma de México,Apdo. Postal 48-3, 62251 Cuernavaca, Morelos (Mexico); Rudolf Peierls Centre for Theoretical Physics, University of Oxford, 1 Keble Road,Oxford, OX1 3NP (United Kingdom); Herrera-Aguilar, Alfredo [Instituto de Física, Benemérita Universidad Autónoma de Puebla,Apdo. postal J-48, 72570 Puebla, Pue. (Mexico); Institutode Física y Matemáticas, Universidad Michoacana de San Nicolás de Hidalgo,Edificio C-3, Ciudad Universitaria, CP 58040, Morelia, Michoacán (Mexico); Mora-Luna, Refugio Rigel [Instituto de Ciencias Físicas, Universidad Nacional Autónoma de México,Apdo. Postal 48-3, 62251 Cuernavaca, Morelos (Mexico)

    2016-05-11

    Following recent studies which show that it is possible to localize gravity as well as scalar and gauge vector fields in a tachyonic de Sitter thick braneworld, we investigate the solution of the gauge hierarchy problem, the localization of fermion fields in this model, the recovering of the Coulomb law on the non-relativistic limit of the Yukawa interaction between bulk fermions and gauge bosons localized in the brane, and confront the predicted 5D corrections to the photon mass with its upper experimental/observational bounds, finding the model physically viable since it passes these tests. In order to achieve the latter aims we first consider the Yukawa interaction term between the fermionic and the tachyonic scalar fields MF(T)ΨΨ-bar in the action and analyze four distinct tachyonic functions F(T) that lead to four different structures of the respective fermionic mass spectra with different physics. In particular, localization of the massless left-chiral fermion zero mode is possible for three of these cases. We further analyze the phenomenology of these Yukawa interactions among fermion fields and gauge bosons localized on the brane and obtain the crucial and necessary information to compute the corrections to Coulomb’s law coming from massive KK vector modes in the non-relativistic limit. These corrections are exponentially suppressed due to the presence of the mass gap in the mass spectrum of the bulk gauge vector field. From our results we conclude that corrections to Coulomb’s law in the thin brane limit have the same form (up to a numerical factor) as far as the left-chiral massless fermion field is localized on the brane. Finally we compute the corrections to the Coulomb’s law for an arbitrarily thick brane scenario which can be interpreted as 5D corrections to the photon mass. By performing consistent estimations with brane phenomenology, we found that the predicted corrections to the photon mass, which are well bounded by the experimentally

  16. Quantal density functional theory

    CERN Document Server

    Sahni, Viraht

    2016-01-01

    This book deals with quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter. The treated time-independent QDFT constitutes a special case. In the 2nd edition, the theory is extended to include the presence of external magnetostatic fields. The theory is a description of matter based on the ‘quantal Newtonian’ first and second laws which is in terms of “classical” fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representative of electron correlations due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, correlation-current-density, and correlation-magnetic effects. The book further describes Schrödinger theory from the new physical perspective of fields and quantal sources. It also describes traditional Hohenberg-Kohn-Sham DFT, and explains via QDFT the physics underlying the various energy functionals and functional derivatives o...

  17. ASSESSMENT OF THE LOCALIZATION OF HYPOCENTERS OF CRUSTAL EARTHQUAKES RELATIVE TO THE DEPTH AND RELIEF OF THE BORDER DENSITY STRATIFICATION IN THE CRUST OF THE NORTHEASTERN SECTION OF THE REFERENCE GEOLOGICAL-GEOPHYSICAL PROFILE 3-DV

    Directory of Open Access Journals (Sweden)

    N. K. Gayday

    2017-01-01

    Full Text Available The total length of the seismic profiles in the northeastern regions ofRussiaand, accordingly, the area of the territories covered by the seismic data interpretations, remains insignificant in comparison with the total area of these regions. At the same time, the geological objects in the northeastern regions attract much attention in view of their prospects, including potential mineral resources. The challenge is to construct the regional models of the crust structure without deep seismic survey data, and to analyze the regional seismicity that depends on the features of the deep crust structure. We develop a density model of the crust structure using the new interpretational gravimetry method. The density modeling results show that the density changes in the crust can be used to estimate the position of a surface separating the lower (quasi-homogeneous and upper (heterogeneous parts of the crust, i.e. to assess the density boundary of stratification. This boundary is formed due to a complex of physical and chemical processes that facilitate the transition of the material in the lower part of the crust into the quasi-uniform (homogeneous state. The study area is the junction zone of the Ayan-Yuryakh anticlinorium and Inyali-Debin synclinorium (62‒63°N, 148‒152° E. The initial interpretation of the deep seismic survey data on the reference geological-geophysical profile 3-DV was available, so the ambiguity of the density modeling was reduced. In turn, the density modeling results can provide additional information for geological-geophysical interpretation of the DSS results on the sites wherein the seismic profiles go along the fault zones. The relationship between seismic events and the relief of the density boundary of stratification in the crust was studied quantitatively on the basis of the data from the regional catalog of seismic events and the results of the earlier analysis of seismicity in the study area. The analysis shows that

  18. Air shower density spectrum

    International Nuclear Information System (INIS)

    Porter, M.R.; Foster, J.M.; Hodson, A.L.; Hazen, W.E.; Hendel, A.Z.; Bull, R.M.

    1982-01-01

    Measurements of the differential local density spectrum have been made using a 1 m 2 discharge chamber mounted in the Leeds discharge chamber array. The results are fitted to a power law of the form h(δ)dδ = kδsup(-ν)dδ, where ν=2.47+-0.04; k=0.21 s - 1 , for 7 m - 2 - 2 ; ν=2.90+-0.22; k=2.18 s - 1 , for δ > 200 m - 2 . Details of the measurement techniques are given with particular reference to the treatment of closely-spaced discharges. A comparison of these results with previous experiments using different techniques is made

  19. Classical-Quantum Correspondence by Means of Probability Densities

    Science.gov (United States)

    Vegas, Gabino Torres; Morales-Guzman, J. D.

    1996-01-01

    Within the frame of the recently introduced phase space representation of non relativistic quantum mechanics, we propose a Lagrangian from which the phase space Schrodinger equation can be derived. From that Lagrangian, the associated conservation equations, according to Noether's theorem, are obtained. This shows that one can analyze quantum systems completely in phase space as it is done in coordinate space, without additional complications.

  20. Avaliação da Densidade dos anestésicos locais e da combinação com adjuvantes: estudo em laboratório Evaluación de la densidad de los anestésicos locales y de la combinación con adyuvantes: estudio en laboratorio Assessment of the densities of local anesthetics and their combination with adjuvants: an experimental study

    Directory of Open Access Journals (Sweden)

    Luiz Eduardo Imbelloni

    2009-04-01

    adyuvantes a 20ºC, 25ºC y 37ºC en evaluación laboratorial. MÉTODO: La densidad (g.mL-1 se midió con la ayuda de un densímetro DMA 450 sensible a ± 0.00001 g.mL-1. La densidad y sus variaciones con la temperatura se obtuvieron de todos los anestésicos locales y de sus combinaciones con opioides a 20°C, 25°C y 37°C. La solución es hiperbárica si su densidad excede a 1.00099, la solución es hipobárica cuando la densidad está por debajo de 1,00019 y es isobárica cuando la densidad es mayor que 0,00019 y menor que 1,00099. RESULTADOS: Ambos anestésicos locales y los adyuvantes, arrojan una reducción de la densidad cuando se aumenta la temperatura. A 37°C, todas las soluciones que contienen glucosa son hiperbáricas. Con la falta de glucosa, todas las soluciones son hipobáricas. A 37°C, morfina, fentanil, sufentanil y clonidina son hipobáricas. CONCLUSIONES: La densidad de los anestésicos locales y adyuvantes se reduce con el aumento de la temperatura y aumenta con la adición de glucosa. El conocimiento de la baricidad, densidad relativa, ayuda a la selección del anestésico local más adecuado y de los adyuvantes para uso subaracnoideo.BACKGROUND AND OBJECTIVES: The relative density of a local anesthetic in relation to that of the cerebrospinal fluid (CSF at 37° C is one of the most important physical properties that affect the level of analgesia obtained after the subarachnoid administration of the drug. The objective of this study was to determine the density of local anesthetic solutions, with and without glucose, and the combination of the local anesthetic with adjuvants at 20° C, 25° C, and 37° C. METHODS: The density (g.mL-1 was determined by using a DMA 450 densimeter with a sensitivity of ± 0.00001 g.mL-1. The densities, and variations, according to the temperature were obtained for all local anesthetics and their combination with opioids at 20ºC, 25°C, and 37°C. The solution is hyperbaric if its density exceeds 1.00099, hypobaric when

  1. Statistics of Local Extremes

    DEFF Research Database (Denmark)

    Larsen, Gunner Chr.; Bierbooms, W.; Hansen, Kurt Schaldemose

    2003-01-01

    . A theoretical expression for the probability density function associated with local extremes of a stochasticprocess is presented. The expression is basically based on the lower four statistical moments and a bandwidth parameter. The theoretical expression is subsequently verified by comparison with simulated...

  2. Local Structure of Cationic Sites in Dehydrated Zeolites Inferred from 27Al Magic-Angle Spinning NMR and Density Functional Theory Calculations. A Study on Li-, Na-, and K-Chabazite

    Czech Academy of Sciences Publication Activity Database

    Klein, Petr; Pashková, Veronika; Thomas, Haunani M.; Whittleton, Sarah R.; Brus, Jiří; Kobera, Libor; Dědeček, Jiří; Sklenák, Štěpán

    2016-01-01

    Roč. 120, č. 26 (2016), s. 14216-14225 ISSN 1932-7447 R&D Projects: GA ČR GA15-13876S; GA ČR(CZ) GA15-14007S Institutional support: RVO:61388955 ; RVO:61389013 Keywords : zeolites * density functional theory * NMR spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry; CD - Macromolecular Chemistry (UMCH-V) Impact factor: 4.536, year: 2016

  3. Analysis of bone mellow density in adults of domestic local area using multi-detector computed tomography: Focus on correlation about eating habits, lifestyle, physical features and social characteristics

    International Nuclear Information System (INIS)

    Lee, Tae Hui; Kim, Tae Hyung; So, Woon Young; Lim, Hei Gyeom; Lim, Cheong Hwan; Park, Myeong Hwan; Cheon, Myung Ki

    2016-01-01

    This study analyzed the correlation between BMD (bone mineral density) value calculated in the MDCT(multidetector computed tomography) and lifestyle, physical features and social characteristics. From July 15 2015 to June 6 2016, we converted from HU (hounsfield unit) value measured by using MDCT to T-score for BMD of 141 patients (male: 63, female: 78) in W medical center. We measured the 2nd, 3rd and 4th lumbar spine and analyzed the correlation between gender differences in BMD and lifestyle, physical features and social characteristics. Statistical significance was validated using independent sample T test with one way Anova. Gender BMD was confirmed that a statistically significant difference (p<0.05). BMD values decreased with increasing age but for the statistically men, there was no significant difference from 20s to 50s, it only showed a significant difference in 20s and 60s (p<0.001). For the statistically women, there was no significant difference from 20s to 40s. but since 50s BMD was decreased rapidly, which showed a significant difference(p<0.001). women showed significant differences for the menstruation and menopause, childbirth, alcohol, cereals and greasy food in bone mineral density (p<0.05) but there were no significant differences in men. The bone mineral density values calculated by the MDCT and lifestyle, physical features and social characteristics correlation analysis method is considered to be used as a basis for estimating the state in BMD and osteoporosis management

  4. Analysis of bone mellow density in adults of domestic local area using multi-detector computed tomography: Focus on correlation about eating habits, lifestyle, physical features and social characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Tae Hui [Wonju Medical Center, Wonju (Korea, Republic of); Kim, Tae Hyung; So, Woon Young; Lim, Hei Gyeom [Kangwon National University Graduate School, Wonju (Korea, Republic of); Lim, Cheong Hwan [Hanseo University, Seosan (Korea, Republic of); Park, Myeong Hwan [Daegu Health College, Daegu (Korea, Republic of); Cheon, Myung Ki [Soongsil University, Seoul (Korea, Republic of)

    2016-12-15

    This study analyzed the correlation between BMD (bone mineral density) value calculated in the MDCT(multidetector computed tomography) and lifestyle, physical features and social characteristics. From July 15 2015 to June 6 2016, we converted from HU (hounsfield unit) value measured by using MDCT to T-score for BMD of 141 patients (male: 63, female: 78) in W medical center. We measured the 2nd, 3rd and 4th lumbar spine and analyzed the correlation between gender differences in BMD and lifestyle, physical features and social characteristics. Statistical significance was validated using independent sample T test with one way Anova. Gender BMD was confirmed that a statistically significant difference (p<0.05). BMD values decreased with increasing age but for the statistically men, there was no significant difference from 20s to 50s, it only showed a significant difference in 20s and 60s (p<0.001). For the statistically women, there was no significant difference from 20s to 40s. but since 50s BMD was decreased rapidly, which showed a significant difference(p<0.001). women showed significant differences for the menstruation and menopause, childbirth, alcohol, cereals and greasy food in bone mineral density (p<0.05) but there were no significant differences in men. The bone mineral density values calculated by the MDCT and lifestyle, physical features and social characteristics correlation analysis method is considered to be used as a basis for estimating the state in BMD and osteoporosis management.

  5. The urban density premium across establishments

    OpenAIRE

    R. Jason Faberman; Matthew Freedman

    2013-01-01

    We use longitudinal microdata to estimate the urban density premium for U.S. establishments, controlling for observed establishment characteristics and dynamic establishment behavior. Consistent with previous studies, we estimate a density premium between 6 and 10 percent, even after controlling for establishment composition, local skill mix, and the endogeneity of location choice. More importantly, we find that the estimated density premium is realized almost entirely at birth and is constan...

  6. GaAs (111) and (1'-.2m''.3m bar ' '.2m''-.3m' 1'-.2m''.3m bar ' '.2m''-.3m' 1'-.2m''.3m bar ' '.2m''-.3m' ) surfaces and the GaAs/AlAs (111) heterojunction studied using a local energy density

    International Nuclear Information System (INIS)

    Chetty, N.; Martin, R.M.

    1992-01-01

    We use a local energy density scrE(r) within density-functional theory to study GaAs (111) and (bar 1 bar 1 bar 1) surfaces, and the GaAs/AlAs (111) heterojunction. We use scrE(r) to calculate the formation enthalpy of a single isolated GaAs (111) and (bar 1 bar 1 bar 1) surface, which is not possible with the use of conventional total-energy methods. We are able to address questions related to the stability of these surfaces. Our methods also apply to heterojunctions where we consider GaAs/AlAs (111) as a prototype. We use scrE(r) to calculate the formation enthalpy of the Ga-rich and Al-rich interfaces, which are distinct and which are both inherent in the supercell geometry

  7. Local food:

    DEFF Research Database (Denmark)

    Sundbo, Donna Isabella Caroline

    2013-01-01

    are identified and then categorised according to whether they pertain to the food product itself or the production methods and facilities and whether they describe physical or social properties of local food. From this a model with four categories is developed. It is found that properties of the product are more......Recently there has been more focus on food in general and local food in particular. But what is local food? And what are the perceptions of this concept according to theory and to providers and consumers of local food? This article first summarises and compares three different theoretical...... perspectives on local food, namely experience economy, local food systems and what is termed pro-industrialism. These have differing and sometimes opposite conceptualisations and aims for the concept of local food. Using the perspective of experience economy as theoretical background, the concept of local food...

  8. Evolution of the phase-space density and the Jeans scale for dark matter derived from the Vlasov-Einstein equation

    International Nuclear Information System (INIS)

    Piattella, O.F.; Rodrigues, D.C.; Fabris, J.C.; Pacheco, J.A. de Freitas

    2013-01-01

    We discuss solutions of Vlasov-Einstein equation for collisionless dark matter particles in the context of a flat Friedmann universe. We show that, after decoupling from the primordial plasma, the dark matter phase-space density indicator Q = ρ/(σ 1D 2 ) 3/2 remains constant during the expansion of the universe, prior to structure formation. This well known result is valid for non-relativistic particles and is not ''observer dependent'' as in solutions derived from the Vlasov-Poisson system. In the linear regime, the inclusion of velocity dispersion effects permits to define a physical Jeans length for collisionless matter as function of the primordial phase-space density indicator: λ J = (5π/G) 1/2 Q −1/3 ρ dm −1/6 . The comoving Jeans wavenumber at matter-radiation equality is smaller by a factor of 2-3 than the comoving wavenumber due to free-streaming, contributing to the cut-off of the density fluctuation power spectrum at the lowest scales. We discuss the physical differences between these two scales. For dark matter particles of mass equal to 200 GeV, the derived Jeans mass is 4.3 × 10 −6 M ⊙

  9. Local Content

    CSIR Research Space (South Africa)

    Gibberd, Jeremy

    2016-10-01

    Full Text Available Local content refers to materials and products made in a country as opposed those that are imported. There is an increasing interest in the concept of local content as a means of supporting local economies and providing jobs (Belderbos & Sleuwaegen...

  10. Nonspherical atomic ground-state densities and chemical deformation densities from x-ray scattering

    International Nuclear Information System (INIS)

    Ruedenberg, K.; Schwarz, W.H.E.

    1990-01-01

    Presuming that chemical insight can be gained from the difference between the molecular electron density and the superposition of the ground-state densities of the atoms in a molecule, it is pointed out that, for atoms with degenerate ground states, an unpromoted ''atom in a molecule'' is represented by a specific ensemble of the degenerate atomic ground-state wave functions and that this ensemble is determined by the anisotropic local surroundings. The resulting atomic density contributions are termed oriented ground state densities, and the corresponding density difference is called the chemical deformation density. The constraints implied by this conceptual approach for the atomic density contributions are formulated and a method is developed for determining them from x-ray scattering data. The electron density of the appropriate promolecule and its x-ray scattering are derived, the determination of the parameters of the promolecule is outlined, and the chemical deformation density is formulated

  11. Neutronic density perturbation by probes

    International Nuclear Information System (INIS)

    Vigon, M. A.; Diez, L.

    1956-01-01

    The introduction of absorbent materials of neutrons in diffuser media, produces local disturbances of neutronic density. The disturbance depends especially on the nature and size of the absorbent. Approximated equations which relates te disturbance and the distance to the absorbent in the case of thin disks have been drawn. The experimental comprobation has been carried out in two especial cases. In both cases the experimental results are in agreement with the calculated values from these equations. (Author)

  12. Current interruption by density depression

    International Nuclear Information System (INIS)

    Wagner, J.S.; Tajima, T.; Akasofu, S.I.

    1985-04-01

    Using a one-dimensional electrostatic particle code, we examine processes associated with current interruption in a collisionless plasma when a density depression is present along the current channel. Current interruption due to double layers was suggested by Alfven and Carlqvist (1967) as a cause of solar flares. At a local density depression, plasma instabilities caused by an electron current flow are accentuated, leading to current disruption. Our simulation study encompasses a wide range of the parameters in such a way that under appropriate conditions, both the Alfven and Carlqvist (1967) regime and the Smith and Priest (1972) regime take place. In the latter regime the density depression decays into a stationary structure (''ion-acoustic layer'') which spawns a series of ion-acoustic ''solitons'' and ion phase space holes travelling upstream. A large inductance of the current circuit tends to enhance the plasma instabilities

  13. Laboratory Density Functionals

    OpenAIRE

    Giraud, B. G.

    2007-01-01

    We compare several definitions of the density of a self-bound system, such as a nucleus, in relation with its center-of-mass zero-point motion. A trivial deconvolution relates the internal density to the density defined in the laboratory frame. This result is useful for the practical definition of density functionals.

  14. Local Variability in Firn Layering and Compaction Rates Using GPR Data, Depth-Density Profiles, and In-Situ Reflectors in the Dry Snow Zone Near Summit Station, Greenland

    Science.gov (United States)

    Lines, A.; Elliott, J.; Ray, L.; Albert, M. R.

    2017-12-01

    Understanding the surface mass balance (SMB) of the Greenland ice sheet is critical to evaluating its response to a changing climate. A key factor in translating satellite and airborne elevation measurements of the ice sheet to SMB is understanding natural variability of firn layer depth and the relative compaction rate of these layers. A site near Summit Station, Greenland was chosen to investigate the variation in layering across a 100m by 100m grid using a 900 MHz and a 2.6 GHz ground penetrating radar (GPR) antenna. These radargrams were ground truthed by taking depth density profiles of five 2m snow pits and five 5m firn cores within the 100m by 100m grid. Combining these measurements with the accumulation data from the nearby ICECAPS weekly bamboo forest measurements, it's possible to see how the snow deposition from individual storm events can vary over a small area. Five metal reflectors were also placed on the surface of the snow in the bounds of the grid to serve as reference reflectors for similar measurements that will be taken in the 2018 field season at Summit Station. This will assist in understanding how one year of accumulation in the dry snow zone impacts compaction and how this rate can vary over a small area.

  15. Spin theory of the density functional: reduced matrices and density functions

    International Nuclear Information System (INIS)

    Pavlov, R.; Delchev, Y.; Pavlova, K.; Maruani, J.

    1993-01-01

    Expressions for the reduced matrices and density functions of N-fermion systems of arbitrary order s (1<=s<=N) are derived within the frame of rigorous spin approach to the density functional theory (DFT). Using the local-scale transformation method and taking into account the particle spin it is shown that the reduced matrices and density functions are functionals of the total one-fermion density. Similar dependence is found for the distribution density of s-particle aggregates. Generalization and applicability of DFT to the case of s-particle ensembles and aggregates is discussed. 14 refs

  16. On Newton-Cartan local renormalization group and anomalies

    Energy Technology Data Exchange (ETDEWEB)

    Auzzi, Roberto [Dipartimento di Matematica e Fisica, Università Cattolica del Sacro Cuore,Via Musei 41, 25121 Brescia (Italy); INFN Sezione di Perugia,Via A. Pascoli, 06123 Perugia (Italy); Baiguera, Stefano; Filippini, Francesco [Dipartimento di Matematica e Fisica, Università Cattolica del Sacro Cuore,Via Musei 41, 25121 Brescia (Italy); Nardelli, Giuseppe [Dipartimento di Matematica e Fisica, Università Cattolica del Sacro Cuore,Via Musei 41, 25121 Brescia (Italy); TIFPA - INFN, c/o Dipartimento di Fisica, Università di Trento,38123 Povo (Italy)

    2016-11-28

    Weyl consistency conditions are a powerful tool to study the irreversibility properties of the renormalization group. We apply this formalism to non-relativistic theories in 2 spatial dimensions with boost invariance and dynamical exponent z=2. Different possibilities are explored, depending on the structure of the gravitational background used as a source for the energy-momentum tensor.

  17. On Newton-Cartan local renormalization group and anomalies

    International Nuclear Information System (INIS)

    Auzzi, Roberto; Baiguera, Stefano; Filippini, Francesco; Nardelli, Giuseppe

    2016-01-01

    Weyl consistency conditions are a powerful tool to study the irreversibility properties of the renormalization group. We apply this formalism to non-relativistic theories in 2 spatial dimensions with boost invariance and dynamical exponent z=2. Different possibilities are explored, depending on the structure of the gravitational background used as a source for the energy-momentum tensor.

  18. Densities of carbon foils

    International Nuclear Information System (INIS)

    Stoner, J.O. Jr.

    1991-01-01

    The densities of arc-evaporated carbon target foils have been measured by several methods. The density depends upon the method used to measure it; for the same surface density, values obtained by different measurement techniques may differ by fifty percent or more. The most reliable density measurements are by flotation, yielding a density of 2.01±0.03 g cm -3 , and interferometric step height with the surface density known from auxiliary measurements, yielding a density of 2.61±0.4 g cm -3 . The difference between these density values mayy be due in part to the compressive stresses that carbon films have while still on their substrates, uncertainties in the optical calibration of surface densities of carbon foils, and systematic errors in step-height measurements. Mechanical thickness measurements by micrometer caliper are unreliable due to nonplanarity of these foils. (orig.)

  19. Density of states functions for photonic crystals

    International Nuclear Information System (INIS)

    McPhedran, R.C.; McOrist, J.; Sterke, C.M. de; Nicorovici, N.A.; Botten, L.C.; Asatryan, A.A.

    2004-01-01

    We discuss density of states functions for photonic crystals, in the context of the two-dimensional problem for arrays of cylinders of arbitrary cross section. We introduce the mutual density of states (MDOS), and show that this function can be used to calculate both the local density of states (LDOS), which gives position information for emission of radiation from photonic crystals, and the spectral density of states (SDOS), which gives angular information. We establish the connection between MDOS, LDOS, SDOS and the conventional density of states, which depends only on frequency. We relate all four functions to the band structure and propagating states within the crystal, and give numerical examples of the relation between band structure and density of states functions

  20. Future Road Density

    Data.gov (United States)

    U.S. Environmental Protection Agency — Road density is generally highly correlated with amount of developed land cover. High road densities usually indicate high levels of ecological disturbance. More...

  1. Achieving maximum baryon densities

    International Nuclear Information System (INIS)

    Gyulassy, M.

    1984-01-01

    In continuing work on nuclear stopping power in the energy range E/sub lab/ approx. 10 GeV/nucleon, calculations were made of the energy and baryon densities that could be achieved in uranium-uranium collisions. Results are shown. The energy density reached could exceed 2 GeV/fm 3 and baryon densities could reach as high as ten times normal nuclear densities

  2. Crowding and Density

    Science.gov (United States)

    Design and Environment, 1972

    1972-01-01

    Three-part report pinpointing problems and uncovering solutions for the dual concepts of density (ratio of people to space) and crowding (psychological response to density). Section one, A Primer on Crowding,'' reviews new psychological and social findings; section two, Density in the Suburbs,'' shows conflict between status quo and increased…

  3. Localized Scleroderma

    Science.gov (United States)

    ... How Is Localized Scleroderma Diagnosed? Doctors who are familiar with scleroderma, or who are experts at examining ... systemic treatment with a medication or other treatment interventions (for example, ultraviolet light), are reserved for more ...

  4. The Fourier transform of tubular densities

    KAUST Repository

    Prior, C B

    2012-05-18

    We consider the Fourier transform of tubular volume densities, with arbitrary axial geometry and (possibly) twisted internal structure. This density can be used to represent, among others, magnetic flux or the electron density of biopolymer molecules. We consider tubes of both finite radii and unrestricted radius. When there is overlap of the tube structure the net density is calculated using the super-position principle. The Fourier transform of this density is composed of two expressions, one for which the radius of the tube is less than the curvature of the axis and one for which the radius is greater (which must have density overlap). This expression can accommodate an asymmetric density distribution and a tube structure which has non-uniform twisting. In addition we give several simpler expressions for isotropic densities, densities of finite radius, densities which decay at a rate sufficient to minimize local overlap and finally individual surfaces of the tube manifold. These simplified cases can often be expressed as arclength integrals and can be evaluated using a system of first-order ODEs. © 2012 IOP Publishing Ltd.

  5. The Fourier transform of tubular densities

    International Nuclear Information System (INIS)

    Prior, C B; Goriely, A

    2012-01-01

    We consider the Fourier transform of tubular volume densities, with arbitrary axial geometry and (possibly) twisted internal structure. This density can be used to represent, among others, magnetic flux or the electron density of biopolymer molecules. We consider tubes of both finite radii and unrestricted radius. When there is overlap of the tube structure the net density is calculated using the super-position principle. The Fourier transform of this density is composed of two expressions, one for which the radius of the tube is less than the curvature of the axis and one for which the radius is greater (which must have density overlap). This expression can accommodate an asymmetric density distribution and a tube structure which has non-uniform twisting. In addition we give several simpler expressions for isotropic densities, densities of finite radius, densities which decay at a rate sufficient to minimize local overlap and finally individual surfaces of the tube manifold. These simplified cases can often be expressed as arclength integrals and can be evaluated using a system of first-order ODEs. (paper)

  6. Graphene on metals: A van der Waals density functional study

    DEFF Research Database (Denmark)

    Vanin, Marco; Mortensen, Jens Jørgen; Kelkkanen, Kari André

    2010-01-01

    We use density functional theory (DFT) with a recently developed van der Waals density functional (vdW-DF) to study the adsorption of graphene on Co, Ni, Pd, Ag, Au, Cu, Pt, and Al(111) surfaces. In contrast to the local-density approximation (LDA) which predicts relatively strong binding for Ni...

  7. Magnetic fields and density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Salsbury Jr., Freddie [Univ. of California, Berkeley, CA (United States)

    1999-02-01

    A major focus of this dissertation is the development of functionals for the magnetic susceptibility and the chemical shielding within the context of magnetic field density functional theory (BDFT). These functionals depend on the electron density in the absence of the field, which is unlike any other treatment of these responses. There have been several advances made within this theory. The first of which is the development of local density functionals for chemical shieldings and magnetic susceptibilities. There are the first such functionals ever proposed. These parameters have been studied by constructing functionals for the current density and then using the Biot-Savart equations to obtain the responses. In order to examine the advantages and disadvantages of the local functionals, they were tested numerically on some small molecules.

  8. Magnetic fields and density functional theory

    International Nuclear Information System (INIS)

    Salsbury, Freddie Jr.

    1999-01-01

    A major focus of this dissertation is the development of functionals for the magnetic susceptibility and the chemical shielding within the context of magnetic field density functional theory (BDFT). These functionals depend on the electron density in the absence of the field, which is unlike any other treatment of these responses. There have been several advances made within this theory. The first of which is the development of local density functionals for chemical shieldings and magnetic susceptibilities. There are the first such functionals ever proposed. These parameters have been studied by constructing functionals for the current density and then using the Biot-Savart equations to obtain the responses. In order to examine the advantages and disadvantages of the local functionals, they were tested numerically on some small molecules

  9. Probability densities and Lévy densities

    DEFF Research Database (Denmark)

    Barndorff-Nielsen, Ole Eiler

    For positive Lévy processes (i.e. subordinators) formulae are derived that express the probability density or the distribution function in terms of power series in time t. The applicability of the results to finance and to turbulence is briefly indicated.......For positive Lévy processes (i.e. subordinators) formulae are derived that express the probability density or the distribution function in terms of power series in time t. The applicability of the results to finance and to turbulence is briefly indicated....

  10. A locally adaptive normal distribution

    DEFF Research Database (Denmark)

    Arvanitidis, Georgios; Hansen, Lars Kai; Hauberg, Søren

    2016-01-01

    entropy distribution under the given metric. The underlying metric is, however, non-parametric. We develop a maximum likelihood algorithm to infer the distribution parameters that relies on a combination of gradient descent and Monte Carlo integration. We further extend the LAND to mixture models......The multivariate normal density is a monotonic function of the distance to the mean, and its ellipsoidal shape is due to the underlying Euclidean metric. We suggest to replace this metric with a locally adaptive, smoothly changing (Riemannian) metric that favors regions of high local density...

  11. Locals Collection

    Directory of Open Access Journals (Sweden)

    Stephen Hastings-King

    2010-03-01

    Full Text Available A locals collection is a set of parameters that are used to delimit data-mining operations. This piece uses a collection of locals from around Essex Massachusetts to shape and delimit an interrogation of post-reality in contemporary America. It explores the notion of crisis, the possibility of a crisis of empire that may or may not emerge in a media-space that does not allow crisis of empire to be mentioned and relations this maybe-crisis to the various levels of economic dysfunction that have become evident since late 2008. But mostly this piece explores ways in which particular stories about particular people do and do not link/link to these larger-scale narratives. This is the first of a potential series of locals collections that will mine the American post-real.

  12. Density limit studies on DIII-D

    Energy Technology Data Exchange (ETDEWEB)

    Maingi, R. [Oak Ridge National Lab., TN (United States); Mahdavi, M.A.; Petrie, T.W. [General Atomics, San Diego, CA (United States)] [and others

    1998-08-01

    The authors have studied the processes limiting plasma density and successfully achieved discharges with density {approximately}50% above the empirical Greenwald density limit with H-mode confinement. This was accomplished by density profile control, enabled through pellet injection and divertor pumping. By examining carefully the criterion for MARFE formation, the authors have derived an edge density limit with scaling very similar to Greenwald scaling. Finally, they have looked in detail at the first and most common density limit process in DIII-D, total divertor detachment, and found that the local upstream separatrix density (n{sub e}{sup sep,det}) at detachment onset (partial detachment) increases with the scrape-off layer heating power, P{sub heat}, i.e., n{sub e}{sup sep,det} {approximately} P{sub heat}{sup 0.76}. This is in marked contrast to the line-average density at detachment which is insensitive to the heating power. The data are in reasonable agreement with the Borass model, which predicted that the upstream density at detachment would increase as P{sub heat}{sup 0.7}.

  13. Density limit studies on DIII-D

    International Nuclear Information System (INIS)

    Maingi, R.; Mahdavi, M.A.; Petrie, T.W.

    1998-08-01

    The authors have studied the processes limiting plasma density and successfully achieved discharges with density ∼50% above the empirical Greenwald density limit with H-mode confinement. This was accomplished by density profile control, enabled through pellet injection and divertor pumping. By examining carefully the criterion for MARFE formation, the authors have derived an edge density limit with scaling very similar to Greenwald scaling. Finally, they have looked in detail at the first and most common density limit process in DIII-D, total divertor detachment, and found that the local upstream separatrix density (n e sep,det ) at detachment onset (partial detachment) increases with the scrape-off layer heating power, P heat , i.e., n e sep,det ∼ P heat 0.76 . This is in marked contrast to the line-average density at detachment which is insensitive to the heating power. The data are in reasonable agreement with the Borass model, which predicted that the upstream density at detachment would increase as P heat 0.7

  14. Wireless Sensor Network Localization Research

    OpenAIRE

    Liang Xin

    2014-01-01

    DV-Hop algorithm is one of the important range-free localization algorithms. It performs better in isotropic density senor networks, however, it brings larger location errors in random distributed networks. According to the localization principle of the DV-Hop algorithm, this paper improves the estimation of average single hop distance by using the Least Equal Square Error, and revises the estimated distance between the unknown node and the anchor node with compensation coefficient considerin...

  15. Current Issues in Finite-T Density-Functional Theory and Warm-Correlated Matter †

    Directory of Open Access Journals (Sweden)

    M. W. C. Dharma-wardana

    2016-03-01

    Full Text Available Finite-temperature density functional theory (DFT has become of topical interest, partly due to the increasing ability to create novel states of warm-correlated matter (WCM.Warm-dense matter (WDM, ultra-fast matter (UFM, and high-energy density matter (HEDM may all be regarded as subclasses of WCM. Strong electron-electron, ion-ion and electron-ion correlation effects and partial degeneracies are found in these systems where the electron temperature Te is comparable to the electron Fermi energy EF. Thus, many electrons are in continuum states which are partially occupied. The ion subsystem may be solid, liquid or plasma, with many states of ionization with ionic charge Zj. Quasi-equilibria with the ion temperature Ti ≠ Te are common. The ion subsystem in WCM can no longer be treated as a passive “external potential”, as is customary in T = 0 DFT dominated by solid-state theory or quantum chemistry. Many basic questions arise in trying to implement DFT for WCM. Hohenberg-Kohn-Mermin theory can be adapted for treating these systems if suitable finite-T exchange-correlation (XC functionals can be constructed. They are functionals of both the one-body electron density ne and the one-body ion densities ρj. Here, j counts many species of nuclei or charge states. A method of approximately but accurately mapping the quantum electrons to a classical Coulomb gas enables one to treat electron-ion systems entirely classically at any temperature and arbitrary spin polarization, using exchange-correlation effects calculated in situ, directly from the pair-distribution functions. This eliminates the need for any XC-functionals. This classical map has been used to calculate the equation of state of WDM systems, and construct a finite-T XC functional that is found to be in close agreement with recent quantum path-integral simulation data. In this review, current developments and concerns in finite-T DFT, especially in the context of non-relativistic warm

  16. Density limits in Tokamaks

    International Nuclear Information System (INIS)

    Tendler, M.

    1984-06-01

    The energy loss from a tokamak plasma due to neutral hydrogen radiation and recycling is of great importance for the energy balance at the periphery. It is shown that the requirement for thermal equilibrium implies a constraint on the maximum attainable edge density. The relation to other density limits is discussed. The average plasma density is shown to be a strong function of the refuelling deposition profile. (author)

  17. Nuclear Level Densities

    International Nuclear Information System (INIS)

    Grimes, S.M.

    2005-01-01

    Recent research in the area of nuclear level densities is reviewed. The current interest in nuclear astrophysics and in structure of nuclei off of the line of stability has led to the development of radioactive beam facilities with larger machines currently being planned. Nuclear level densities for the systems used to produce the radioactive beams influence substantially the production rates of these beams. The modification of level-density parameters near the drip lines would also affect nucleosynthesis rates and abundances

  18. Local equilibrium

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    1984-12-15

    From 3-6 September the First International Workshop on Local Equilibrium in Strong Interaction Physics took place in Bad-Honnef at the Physics Centre of the German Physical Society. A number of talks covered the experimental and theoretical investigation of the 'hotspots' effect, both in high energy particle physics and in intermediate energy nuclear physics.

  19. Multicomponent density functional theory embedding formulation

    Energy Technology Data Exchange (ETDEWEB)

    Culpitt, Tanner; Brorsen, Kurt R.; Pak, Michael V.; Hammes-Schiffer, Sharon, E-mail: shs3@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Ave, Urbana, Illinois 61801 (United States)

    2016-07-28

    Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density is separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF{sup −} molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.

  20. Measurement of true density

    International Nuclear Information System (INIS)

    Carr-Brion, K.G.; Keen, E.F.

    1982-01-01

    System for determining the true density of a fluent mixture such as a liquid slurry, containing entrained gas, such as air comprises a restriction in pipe through which at least a part of the mixture is passed. Density measuring means such as gamma-ray detectors and source measure the apparent density of the mixture before and after its passage through the restriction. Solid-state pressure measuring devices are arranged to measure the pressure in the mixture before and after its passage through the restriction. Calculating means, such as a programmed microprocessor, determine the true density from these measurements using relationships given in the description. (author)

  1. The local density of optical states of a metasurface

    DEFF Research Database (Denmark)

    Hansen, Per Lunnemann; Koenderink, A. Femius

    2016-01-01

    -dimensional (2D) lattice composed of arbitrary magnetoelectric dipole scatterers. The method takes into account radiation damping as well as all retarded electrodynamic interactions in a self-consistent manner. We show that a lattice of magnetic scatterers evidences characteristic Drexhage oscillations. However...

  2. Indoor Localization with Probability Density Functionsd based on Bluetooth

    OpenAIRE

    Wendlandt, Kai; Robertson, Patrick; Berbig, Marcus

    2005-01-01

    We present a simple system to help people navigate inside of buildings or even in outside areas close to buildings. It is based on the “RSSI” and “Transmit power” data of an established Bluetooth link. The system is in principle sufficient for the intended application (pedestrian, indoor), but it is certainly not a high resolution indoor location system. The achievable accuracy is dependent on the setup (number of access points and their constellation and available Bluetooth devices) but will...

  3. PREDICTION OF MAXIMUM DRY DENSITY OF LOCAL GRANULAR ...

    African Journals Online (AJOL)

    Proctor test, solid unit weight, optimum moisture content .... that' the average value of deviation between the computed and the measured .... difference between the estimate made from the sample and the .... the total population is broken into a number of strata or ... classified under one of the three stratified groups that are ...

  4. Localized Acoustic Surface Modes

    KAUST Repository

    Farhat, Mohamed

    2015-08-04

    We introduce the concept of localized acoustic surface modes (ASMs). We demonstrate that they are induced on a two-dimensional cylindrical rigid surface with subwavelength corrugations under excitation by an incident acoustic plane wave. Our results show that the corrugated rigid surface is acoustically equivalent to a cylindrical scatterer with uniform mass density that can be represented using a Drude-like model. This, indeed, suggests that plasmonic-like acoustic materials can be engineered with potential applications in various areas including sensing, imaging, and cloaking.

  5. Calculation of the RPA response function of nuclei to quasi-elastic electron scattering with a density-dependent NN interaction

    International Nuclear Information System (INIS)

    Caillon, J-C.; Labarsouque, J.

    1997-01-01

    So far, the non-relativistic longitudinal and transverse functions in electron quasi-elastic scattering on the nuclei failed in reproducing satisfactorily the existent experimental data. The calculations including relativistic RPA correlations utilize until now the relativistic Hartree approximation to describe the nuclear matter. But, this provides an incompressibility module two times higher than its experimental value what is an important drawback for the calculation of realistic relativistic RPA correlations. Hence, we have determined the RPA response functions of nuclei by utilising a description of the relativistic nuclear matter leading to an incompressibility module in agreement with the empirical value. To do that we have utilized an interaction in the relativistic Hartree approximation in which we have determined the coupling constants σ-N and ω-N as a function of the density in order to reproduce the saturation curve obtained by a Dirac-Brueckner calculation. The results which we have obtained show that the longitudinal response function and the Coulomb sum generally overestimated when one utilizes the pure relativistic Hartree approximation, are here in good agreement with the experimental data for several nuclei

  6. On density forecast evaluation

    NARCIS (Netherlands)

    Diks, C.

    2008-01-01

    Traditionally, probability integral transforms (PITs) have been popular means for evaluating density forecasts. For an ideal density forecast, the PITs should be uniformly distributed on the unit interval and independent. However, this is only a necessary condition, and not a sufficient one, as

  7. Net Locality

    DEFF Research Database (Denmark)

    de Souza e Silva, Adriana Araujo; Gordon, Eric

    Provides an introduction to the new theory of Net Locality and the profound effect on individuals and societies when everything is located or locatable. Describes net locality as an emerging form of location awareness central to all aspects of digital media, from mobile phones, to Google Maps......, to location-based social networks and games, such as Foursquare and facebook. Warns of the threats these technologies, such as data surveillance, present to our sense of privacy, while also outlining the opportunities for pro-social developments. Provides a theory of the web in the context of the history...... of emerging technologies, from GeoCities to GPS, Wi-Fi, Wiki Me, and Google Android....

  8. Local supertwistors

    International Nuclear Information System (INIS)

    Merkulov, S.A.

    1987-01-01

    Geometry of local supertwistors is investigated. It is proved that the Yang-Mills equations for the introduced ansatz for supertwistor connection are equivalent to free bach equations, describing the dynamics of N=1 conformal supergravity. Analogous interpretation of the dynamics of N=1 conformal supergravity coupled to a vector superfield is proposed. It is proved that any complex conformally right or left flat superspace automatically satisfies the Bach equations

  9. Learning Grasp Affordance Densities

    DEFF Research Database (Denmark)

    Detry, Renaud; Kraft, Dirk; Kroemer, Oliver

    2011-01-01

    and relies on kernel density estimation to provide a continuous model. Grasp densities are learned and refined from exploration, by letting a robot “play” with an object in a sequence of graspand-drop actions: The robot uses visual cues to generate a set of grasp hypotheses; it then executes......We address the issue of learning and representing object grasp affordance models. We model grasp affordances with continuous probability density functions (grasp densities) which link object-relative grasp poses to their success probability. The underlying function representation is nonparametric...... these and records their outcomes. When a satisfactory number of grasp data is available, an importance-sampling algorithm turns these into a grasp density. We evaluate our method in a largely autonomous learning experiment run on three objects of distinct shapes. The experiment shows how learning increases success...

  10. Bound entanglement and local realism

    International Nuclear Information System (INIS)

    Kaszlikowski, Dagomir; Zukowski, Marek; Gnacinski, Piotr

    2002-01-01

    We show using a numerical approach, which gives necessary and sufficient conditions for the existence of local realism, that the bound entangled state presented in Bennett et al. [Phys. Rev. Lett. 82, 5385 (1999)] admits a local and realistic description. We also find the lowest possible amount of some appropriate entangled state that must be ad-mixed to the bound entangled state so that the resulting density operator has no local and realistic description and as such can be useful in quantum communication and quantum computation

  11. Negative density-distribution relationship in butterflies.

    Science.gov (United States)

    Päivinen, Jussi; Grapputo, Alessandro; Kaitala, Veijo; Komonen, Atte; Kotiaho, Janne S; Saarinen, Kimmo; Wahlberg, Niklas

    2005-03-01

    Because "laws of nature" do not exist in ecology, much of the foundations of community ecology rely on broad statistical generalisations. One of the strongest generalisations is the positive relationship between density and distribution within a given taxonomic assemblage; that is, locally abundant species are more widespread than locally sparse species. Several mechanisms have been proposed to create this positive relationship, and the testing of these mechanisms is attracting increasing attention. We report a strong, but counterintuitive, negative relationship between density and distribution in the butterfly fauna of Finland. With an exceptionally comprehensive data set (data includes all 95 resident species in Finland and over 1.5 million individuals), we have been able to submit several of the mechanisms to powerful direct empirical testing. Without exception, we failed to find evidence for the proposed mechanisms creating a positive density-distribution relationship. On the contrary, we found that many of the mechanisms are equally able to generate a negative relationship. We suggest that one important determinant of density-distribution relationships is the geographical location of the study: on the edge of a distribution range, suitable habitat patches are likely to be more isolated than in the core of the range. In such a situation, only the largest and best quality patches are likely to be occupied, and these by definition can support a relatively dense population leading to a negative density-distribution relationship. Finally, we conclude that generalizations about the positive density-distribution relationship should be made more cautiously.

  12. Current density tensors

    Science.gov (United States)

    Lazzeretti, Paolo

    2018-04-01

    It is shown that nonsymmetric second-rank current density tensors, related to the current densities induced by magnetic fields and nuclear magnetic dipole moments, are fundamental properties of a molecule. Together with magnetizability, nuclear magnetic shielding, and nuclear spin-spin coupling, they completely characterize its response to magnetic perturbations. Gauge invariance, resolution into isotropic, deviatoric, and antisymmetric parts, and contributions of current density tensors to magnetic properties are discussed. The components of the second-rank tensor properties are rationalized via relationships explicitly connecting them to the direction of the induced current density vectors and to the components of the current density tensors. The contribution of the deviatoric part to the average value of magnetizability, nuclear shielding, and nuclear spin-spin coupling, uniquely determined by the antisymmetric part of current density tensors, vanishes identically. The physical meaning of isotropic and anisotropic invariants of current density tensors has been investigated, and the connection between anisotropy magnitude and electron delocalization has been discussed.

  13. Macroscopic quantum waves in non local theories

    International Nuclear Information System (INIS)

    Ventura, I.

    1979-01-01

    By means of an expansion in the density, it is shown that Macroscopic Quantum Waves also apear in non local theories. This result reinforces the conjecture that these waves should exist in liquid 4 He. (Author) [pt

  14. Macroscopic quantum waves in non local theories

    International Nuclear Information System (INIS)

    Ventura, I.

    1979-01-01

    By means of an expansion in the density, it is shown that Macroscopic Quantum Waves also appear in non local theories. This result reinforces the conjecture that these waves should exist in liquid 4 He [pt

  15. Stable solitary waves in super dense plasmas at external magnetic fields

    Science.gov (United States)

    Ghaani, Azam; Javidan, Kurosh; Sarbishaei, Mohsen

    2015-07-01

    Propagation of localized waves in a Fermi-Dirac distributed super dense matter at the presence of strong external magnetic fields is studied using the reductive perturbation method. We have shown that stable solitons can be created in such non-relativistic fluids in the presence of an external magnetic field. Such solitary waves are governed by the Zakharov-Kuznetsov (ZK) equation. Properties of solitonic solutions are studied in media with different values of background mass density and strength of magnetic field.

  16. Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

    Science.gov (United States)

    Tao, Jianmin; Ye, Lin-Hui; Duan, Yuhua

    2017-12-01

    The primary goal of Kohn-Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao-Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew-Burke-Ernzerhof (PBE), Tao-Perdew-Staroverov-Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree-Fock density yields the exchange and correlation energies in good agreement with the Optimized Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Finally, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.

  17. Local supertwistors

    International Nuclear Information System (INIS)

    Merkulov, S.A.

    1987-01-01

    The geometry of local supertwistors is investigated. An ansatz on the form of the supertwistor superconnection is introduced. Because of this restriction on the form of such a superconnection the Yang-Mills equations for the superconnection turn out to be equivalent to the free Bach equations describing the dynamics of simple conformal supergravity. It is shown that the equations of motion of conformal supergravity interacting with a vector superfield admit an analogous interpretation. It is proved that an arbitrary conformally right-flat or left-flat superspace is automatically a solution of the Bach equations

  18. Density functional theory: Foundations reviewed

    Energy Technology Data Exchange (ETDEWEB)

    Kryachko, Eugene S., E-mail: eugene.kryachko@ulg.ac.be [Bogolyubov Institute for Theoretical Physics, Kiev, 03680 (Ukraine); Ludeña, Eduardo V., E-mail: popluabe@yahoo.es [Centro de Química, Instituto Venezolano de Investigaciones Científicas, IVIC, Apartado 21827, Caracas 1020-A (Venezuela, Bolivarian Republic of); Prometheus Program, Senescyt (Ecuador); Grupo Ecuatoriano para el Estudio Experimental y Teórico de Nanosistemas, GETNano, USFQ, N104-E, Quito (Ecuador); Escuela Politécnica Superior del Litoral, ESPOL, Guayaquil (Ecuador)

    2014-11-10

    Guided by the above motto (quotation), we review a broad range of issues lying at the foundations of Density Functional Theory, DFT, a theory which is currently omnipresent in our everyday computational study of atoms and molecules, solids and nano-materials, and which lies at the heart of modern many-body computational technologies. The key goal is to demonstrate that there are definitely the ways to improve DFT. We start by considering DFT in the larger context provided by reduced density matrix theory (RDMT) and natural orbital functional theory (NOFT), and examine the implications that N-representability conditions on the second-order reduced density matrix (2-RDM) have not only on RDMT and NOFT but, also, by extension, on the functionals of DFT. This examination is timely in view of the fact that necessary and sufficient N-representability conditions on the 2-RDM have recently been attained. In the second place, we review some problems appearing in the original formulation of the first Hohenberg–Kohn theorem which is still a subject of some controversy. In this vein we recall Lieb’s comment on this proof and the extension to this proof given by Pino et al. (2009), and in this context examine the conditions that must be met in order that the one-to-one correspondence between ground-state densities and external potentials remains valid for finite subspaces (namely, the subspaces where all Kohn–Sham solutions are obtained in practical applications). We also consider the issue of whether the Kohn–Sham equations can be derived from basic principles or whether they are postulated. We examine this problem in relation to ab initio DFT. The possibility of postulating arbitrary Kohn–Sham-type equations, where the effective potential is by definition some arbitrary mixture of local and non-local terms, is discussed. We also deal with the issue of whether there exists a universal functional, or whether one should advocate instead the construction of problem

  19. Density functional theory

    International Nuclear Information System (INIS)

    Das, M.P.

    1984-07-01

    The state of the art of the density functional formalism (DFT) is reviewed. The theory is quantum statistical in nature; its simplest version is the well-known Thomas-Fermi theory. The DFT is a powerful formalism in which one can treat the effect of interactions in inhomogeneous systems. After some introductory material, the DFT is outlined from the two basic theorems, and various generalizations of the theorems appropriate to several physical situations are pointed out. Next, various approximations to the density functionals are presented and some practical schemes, discussed; the approximations include an electron gas of almost constant density and an electron gas of slowly varying density. Then applications of DFT in various diverse areas of physics (atomic systems, plasmas, liquids, nuclear matter) are mentioned, and its strengths and weaknesses are pointed out. In conclusion, more recent developments of DFT are indicated

  20. Low Density Supersonic Decelerators

    Data.gov (United States)

    National Aeronautics and Space Administration — The Low-Density Supersonic Decelerator project will demonstrate the use of inflatable structures and advanced parachutes that operate at supersonic speeds to more...

  1. density functional theory approach

    Indian Academy of Sciences (India)

    YOGESH ERANDE

    2017-07-27

    Jul 27, 2017 ... a key role in all optical switching devices, since their optical properties can be .... optimized in the gas phase using Density Functional Theory. (DFT).39 The ...... The Mediation of Electrostatic Effects by Sol- vents J. Am. Chem.

  2. Bone mineral density test

    Science.gov (United States)

    BMD test; Bone density test; Bone densitometry; DEXA scan; DXA; Dual-energy x-ray absorptiometry; p-DEXA; Osteoporosis - BMD ... need to undress. This scan is the best test to predict your risk of fractures, especially of ...

  3. Density scaling for multiplets

    International Nuclear Information System (INIS)

    Nagy, A

    2011-01-01

    Generalized Kohn-Sham equations are presented for lowest-lying multiplets. The way of treating non-integer particle numbers is coupled with an earlier method of the author. The fundamental quantity of the theory is the subspace density. The Kohn-Sham equations are similar to the conventional Kohn-Sham equations. The difference is that the subspace density is used instead of the density and the Kohn-Sham potential is different for different subspaces. The exchange-correlation functional is studied using density scaling. It is shown that there exists a value of the scaling factor ζ for which the correlation energy disappears. Generalized OPM and Krieger-Li-Iafrate (KLI) methods incorporating correlation are presented. The ζKLI method, being as simple as the original KLI method, is proposed for multiplets.

  4. Fission level densities

    International Nuclear Information System (INIS)

    Maslov, V.M.

    1998-01-01

    Fission level densities (or fissioning nucleus level densities at fission saddle deformations) are required for statistical model calculations of actinide fission cross sections. Back-shifted Fermi-Gas Model, Constant Temperature Model and Generalized Superfluid Model (GSM) are widely used for the description of level densities at stable deformations. These models provide approximately identical level density description at excitations close to the neutron binding energy. It is at low excitation energies that they are discrepant, while this energy region is crucial for fission cross section calculations. A drawback of back-shifted Fermi gas model and traditional constant temperature model approaches is that it is difficult to include in a consistent way pair correlations, collective effects and shell effects. Pair, shell and collective properties of nucleus do not reduce just to the renormalization of level density parameter a, but influence the energy dependence of level densities. These effects turn out to be important because they seem to depend upon deformation of either equilibrium or saddle-point. These effects are easily introduced within GSM approach. Fission barriers are another key ingredients involved in the fission cross section calculations. Fission level density and barrier parameters are strongly interdependent. This is the reason for including fission barrier parameters along with the fission level densities in the Starter File. The recommended file is maslov.dat - fission barrier parameters. Recent version of actinide fission barrier data obtained in Obninsk (obninsk.dat) should only be considered as a guide for selection of initial parameters. These data are included in the Starter File, together with the fission barrier parameters recommended by CNDC (beijing.dat), for completeness. (author)

  5. Density-wave oscillations

    International Nuclear Information System (INIS)

    Belblidia, L.A.; Bratianu, C.

    1979-01-01

    Boiling flow in a steam generator, a water-cooled reactor, and other multiphase processes can be subject to instabilities. It appears that the most predominant instabilities are the so-called density-wave oscillations. They can cause difficulties for three main reasons; they may induce burnout; they may cause mechanical vibrations of components; and they create system control problems. A comprehensive review is presented of experimental and theoretical studies concerning density-wave oscillations. (author)

  6. Density of liquid Ytterbium

    International Nuclear Information System (INIS)

    Stankus, S.V.; Basin, A.S.

    1983-01-01

    Results are presented for measurements of the density of metallic ytterbium in the liquid state and at the liquid-solid phase transition. Based on the numerical data obtained, the coefficient of thermal expansion βZ of the liquid and the density discontinuity on melting deltarho/sub m/ are calculated. The magnitudes of βZ and deltarho/sub m/ for the heavy lanthanides are compared

  7. LINER galaxy properties and the local environment

    Science.gov (United States)

    Coldwell, Georgina V.; Alonso, Sol; Duplancic, Fernanda; Mesa, Valeria

    2018-05-01

    We analyse the properties of a sample of 5560 low-ionization nuclear emission-line region (LINER) galaxies selected from SDSS-DR12 at low red shift, for a complete range of local density environments. The host LINER galaxies were studied and compared with a well-defined control sample of 5553 non-LINER galaxies matched in red shift, luminosity, morphology and local density. By studying the distributions of galaxy colours and the stellar age population, we find that LINERs are redder and older than the control sample over a wide range of densities. In addition, LINERs are older than the control sample, at a given galaxy colour, indicating that some external process could have accelerated the evolution of the stellar population. The analysis of the host properties shows that the control sample exhibits a strong relation between colours, ages and the local density, while more than 90 per cent of the LINERs are redder and older than the mean values, independently of the neighbourhood density. Furthermore, a detailed study in three local density ranges shows that, while control sample galaxies are redder and older as a function of stellar mass and density, LINER galaxies mismatch the known morphology-density relation of galaxies without low-ionization features. The results support the contribution of hot and old stars to the low-ionization emission although the contribution of nuclear activity is not discarded.

  8. Negative Ion Density Fronts

    International Nuclear Information System (INIS)

    Igor Kaganovich

    2000-01-01

    Negative ions tend to stratify in electronegative plasmas with hot electrons (electron temperature Te much larger than ion temperature Ti, Te > Ti ). The boundary separating a plasma containing negative ions, and a plasma, without negative ions, is usually thin, so that the negative ion density falls rapidly to zero-forming a negative ion density front. We review theoretical, experimental and numerical results giving the spatio-temporal evolution of negative ion density fronts during plasma ignition, the steady state, and extinction (afterglow). During plasma ignition, negative ion fronts are the result of the break of smooth plasma density profiles during nonlinear convection. In a steady-state plasma, the fronts are boundary layers with steepening of ion density profiles due to nonlinear convection also. But during plasma extinction, the ion fronts are of a completely different nature. Negative ions diffuse freely in the plasma core (no convection), whereas the negative ion front propagates towards the chamber walls with a nearly constant velocity. The concept of fronts turns out to be very effective in analysis of plasma density profile evolution in strongly non-isothermal plasmas

  9. Characterization of low-energy nuclear reactions involving emission of few non-relativistic particles

    International Nuclear Information System (INIS)

    Martinez Heimann, D.; Pacheco, A.J.; Capurro, O.A.

    2010-01-01

    We present a general procedure and the associated computational tool for the kinematical description and characterization of nuclear reactions with several fragments in the exit channel. For such processes the emphasis is placed on the purely experimental extraction of the most physically relevant magnitudes and their distributions, which can eventually be compared with the results of generic model calculations. The general capabilities of the approach are illustrated through the results of the application to selected examples, for which various aspects related to inclusive and exclusive measurements are discussed. For the particular case of sequential emission or non-capture breakup we analyze the general problem involved in the determination of intrinsic angular distributions in the rest frame of the decaying nucleus and the design of a specific experiment for a full and uniform coverage of the whole solid angle.

  10. Fundamentals of Non-relativistic Collisionless Shock Physics: IV. Quasi-Parallel Supercritical Shocks

    OpenAIRE

    Treumann, R. A.; Jaroschek, C. H.

    2008-01-01

    1. Introduction, 2. The (quasi-parallel) foreshock; Ion foreshock, Ion foreshock boundary region; Diffuse ions;Low-frequency upstream waves; Ion beam waves; The expected wave modes; Observations; Diffuse ion waves; Electron foreshock; Electron beams; Langmuir waves; stability of the electron beam; Electron foreshock boundary waves; Nature of electron foreshock waves; Radiation; Observations; Interpretation; 3. Quasi-parallel shock reformation; Low-Mach number quasi-parallel shocks; Turbulent ...

  11. Coherent states of non-relativistic electron in the magnetic-solenoid field

    International Nuclear Information System (INIS)

    Bagrov, V G; Gavrilov, S P; Filho, D P Meira; Gitman, D M

    2010-01-01

    In the present work we construct coherent states in the magnetic-solenoid field, which is a superposition of the Aharonov-Bohm field and a collinear uniform magnetic field. In the problem under consideration there are two kinds of coherent states, those which correspond to classical trajectories which embrace the solenoid and those which do not. The constructed coherent states reproduce exactly classical trajectories, maintain their form under the time evolution and form a complete set of functions, which can be useful in semiclassical calculations. In the absence of the solenoid field these states are reduced to the well known in the case of uniform magnetic field Malkin-Man'ko coherent states.

  12. Coherent states of non-relativistic electron in the magnetic-solenoid field

    Energy Technology Data Exchange (ETDEWEB)

    Bagrov, V G [Department of Physics, Tomsk State University, 634050, Tomsk (Russian Federation); Gavrilov, S P; Filho, D P Meira [Institute of Physics, University of Sao Paulo (Brazil); Gitman, D M, E-mail: bagrov@phys.tsu.r, E-mail: gavrilovsergeyp@yahoo.co, E-mail: gitman@dfn.if.usp.b, E-mail: dmeira@dfn.if.usp.b [Institute of Physics, University of Sao Paulo, CP 66318, CEP 05315-970 Sao Paulo (Brazil)

    2010-09-03

    In the present work we construct coherent states in the magnetic-solenoid field, which is a superposition of the Aharonov-Bohm field and a collinear uniform magnetic field. In the problem under consideration there are two kinds of coherent states, those which correspond to classical trajectories which embrace the solenoid and those which do not. The constructed coherent states reproduce exactly classical trajectories, maintain their form under the time evolution and form a complete set of functions, which can be useful in semiclassical calculations. In the absence of the solenoid field these states are reduced to the well known in the case of uniform magnetic field Malkin-Man'ko coherent states.

  13. Partonic transverse momenta in non-relativistic hyper-central quark potential models

    International Nuclear Information System (INIS)

    Diakonos, F.K.; Kaplis, N.K.; Maintas, X.N.

    2009-01-01

    We investigate the impact of three-body forces on the transverse-momentum distribution of partons inside the proton. This is achieved by considering the three-body problem in a class of hyper-central quark potential models. Solving the corresponding Schroedinger equation, we determine the quark wave function in the proton and with appropriate transformations and projections we find the transverse-momentum distribution of a single quark. In each case the parameters of the quark potentials are adjusted in order to sufficiently describe observable properties of the proton. Using a factorization ansatz, we incorporate the obtained transverse-momentum distribution in a perturbative QCD scheme for the calculation of the cross-section for prompt photon production in pp collisions. A large set of experimental data is fitted using as a single free parameter the mean partonic transverse momentum. The dependence of left angle k T right angle on the collision characteristics (initial energy and transverse momentum of the final photon) is much smoother when compared with similar results found in the literature using a Gaussian distribution for the partonic transverse momenta. Within the considered class of hyper-central quark potentials the one with the weaker dependence on the hyper-radius is preferred for the description of the data since it leads to the smoothest mean partonic transverse-momentum profile. We have repeated all the calculations using a two-body potential of the same form as the optimal (within the considered class) hyper-central potential in order to check if the presence of three-body forces is supported by the experimental data. Our analysis indicates that three-body forces influence significantly the form of the parton transverse-momentum distribution and consequently lead to an improved description of the considered data. (orig.)

  14. Existence of a ground state for the confined hydrogen atom in non-relativistic QED

    DEFF Research Database (Denmark)

    Amour, Laurent; Faupin, Jeremy

    2008-01-01

    We consider a system of a hydrogen atom interacting with the quantized electromagnetic field. Instead of fixing the nucleus, we assume that the system is confined by its center of mass. This model is used in theoretical physics to explain the Lamb-Dicke effect. After a brief review of the literat...

  15. Existence of a ground state for the confined hydrogen atom in non-relativistic QED

    International Nuclear Information System (INIS)

    Amour, Laurent; Faupin, Jeremy

    2008-01-01

    We consider a system of a hydrogen atom interacting with the quantized electromagnetic field. Instead of fixing the nucleus, we assume that the system is confined by its center of mass. This model is used in theoretical physics to explain the Lamb-Dicke effect. After a brief review of the literature, we explain how to verify some properly chosen binding conditions which lead to the existence of a ground state for our model, and for all values of the fine-structure constant

  16. sl (6,r) as the group of symmetries for non relativistic quantum systems

    African Journals Online (AJOL)

    It is shown that the 13 one parameter generators of the Lie group SL(6, R) are the maximal group of symmetries for nonrelativistic quantum systems. The group action on the set of states S Ĥ (H complex Hilbert space) preserves transition probabilities as well as the dynamics of the system. By considering a prolongation of ...

  17. From laser cooling of non-relativistic to relativistic ion beams

    International Nuclear Information System (INIS)

    Schramm, U.; Bussmann, M.; Habs, D.

    2004-01-01

    Laser cooling of stored 24 Mg + ion beams recently led to the long anticipated experimental realization of Coulomb-ordered 'crystalline' ion beams in the low-energy RF-quadrupole storage ring PAul Laser CooLing Acceleration System (Munich). Moreover, systematic studies revealed severe constraints on the cooling scheme and the storage ring lattice for the attainment and maintenance of the crystalline state of the beam, which will be summarized. With the envisaged advent of high-energy heavy ion storage rings like SIS 300 at GSI (Darmstadt), which offer favourable lattice conditions for space-charge-dominated beams, we here discuss the general scaling of laser cooling of highly relativistic beams of highly charged ions and present a novel idea for direct three-dimensional beam cooling by forcing the ions onto a helical path

  18. Simulations of non-relativistic quantum chromodynamics at strong and weak coupling

    Science.gov (United States)

    Shakespeare, Norman Harold

    In this thesis heavy quarks are investigated using lattice nonrelativistic quantum chromodynamics (NRQCD). Two major research works are presented. In the first major work, simulations are done for the three quarkonium systems cc¯, bc¯, and bb¯. The hyperfine splittings are computed at both leading and next-to-leading order in the relativistic expansion, using a large number of lattice spacings. A detailed comparison between mean-link and average plaquette tadpole renormalization schemes is undertaken with a number of features favouring the use of mean-links. These include much better scaling behavior of the hyperfine splittings and smaller relativistic corrections to the spin splittings. Signs of a breakdown in the NRQCD expansion are seen when the bare quark mass, in lattice units, falls below about one. In the second work, coefficients for the perturbative expansion of the static quark self energy are extracted from Monte Carlo simulations in the perturbative region of lattice quantum chromodynamics (QCD). A very large systematic study resulted in a major extension of existing methods. Twisted boundary conditions are used to eliminate the effects of zero modes and to suppress tunneling between the degenerate Z3 vacua. The Monte Carlo results are in excellent agreement with analytic perturbation theory, which is known through second order. New results for the third order coefficient are reported. Preliminary work is reported on quark propagators which will be used to measure second order mass renormalizations for NRQCD fermions.

  19. A model-dependent approach to the non-relativistic Lamb shift

    Science.gov (United States)

    Diaz-Valdes, J. F.; Bruce, S. A.

    2018-02-01

    The precise observation of the Lamb shift, between the 2s_{1/2} and 2p_{1/2} levels in hydrogen, was a genuine motivation for the development of modern quantum electrodynamics. According to Dirac theory, the 2s_{1/2} and 2p_{1/2} levels should have equal energies. However, "radiative corrections" due to the interaction between the atomic electron and the vacuum, shift the 2s_{1/2} level higher in energy by around 4.37493× 10^{-6} eV or 2π\\hbar× 1057.85 MHz relative to the 2p_{1/2} level. The measurement of Lamb and Retherford provided the stimulus for renormalization theory which has been so successful in handling troublesome divergences. The Lamb shift is still a central theme in atomic physics. W.E. Lamb was the first to see that this tiny shift, so elusive and hard to measure, would clarify in a fundamental way our thinking about particles and fields. In this article, the Lamb shift for the 2 s energy level in hydrogen is assessed for three different electron models by using the variational principle. It is then verified that this shift arises mostly from the interaction of a bound electron with the zero-point fluctuations of the free electromagnetic field (Welton's interpretation). We briefly comment on the construct validity of the proposed electron models.

  20. KN s-wave phase shifts in the non-relativistic quark model

    International Nuclear Information System (INIS)

    Silvestre-Brac, B.; Labarsouque, J.

    1995-01-01

    The I=1 and 0 kaon-nucleon s-wave phase shifts have been calculated in a quark potential model using the resonating group method (RGM). The Hill-Wheeler equation has been solved numerically without any parametrization of the KN relative wave-function. The kaon and the nucleon wave-functions have been expanded as sums of several well-chosen gaussian functions, and the sensitivity of the results to the number of terms was analyzed carefully. The I=0 phase shifts are in agreement with the experimental data. In the I=1 channel too much repulsion is obtained, probably due to the lack of medium-range boson exchange type attraction. ((orig.))

  1. What is the uncertainty principle of non-relativistic quantum mechanics?

    Science.gov (United States)

    Riggs, Peter J.

    2018-05-01

    After more than ninety years of discussions over the uncertainty principle, there is still no universal agreement on what the principle states. The Robertson uncertainty relation (incorporating standard deviations) is given as the mathematical expression of the principle in most quantum mechanics textbooks. However, the uncertainty principle is not merely a statement of what any of the several uncertainty relations affirm. It is suggested that a better approach would be to present the uncertainty principle as a statement about the probability distributions of incompatible variables and the resulting restrictions on quantum states.

  2. shape change in Hf, W and Os-isotopes: A non-relativistic Hartree ...

    Indian Academy of Sciences (India)

    tories, it is now possible to study the structural properties of light nuclei near the ... Application of angular momentum projection (AMp) project the good angular ..... function of the quadrupole deformation parameter. ¬. 2 . W e find tw o distinct.

  3. Slowing-down of non-relativistic ions in a hot dense plasma

    International Nuclear Information System (INIS)

    Maynard, G.

    1982-01-01

    The parameter γ (action of the free-electrons of the plasma) was investigated: calculation of the mean value of γ for a great number of monokinetic incident ions and of the dispersion about this mean value, using the random phase approximation; and calculation of the dielectric function. The contribution of the plasma ions to the stopping power was studied and the description of the ion-plasma interaction improved. The slowing-down of an ion at large distance by the bound electrons of an atom was calculated. This study is applied to the ion-plasma interaction in the ion-beam inertial confinement [fr

  4. Coulomb displacement energies in relativistic and non-relativistic self-consistent models

    International Nuclear Information System (INIS)

    Marcos, S.; Savushkin, L.N.; Giai, N. van.

    1992-03-01

    Coulomb displacement energies in mirror nuclei are comparatively analyzed in Dirac-Hartree and Skyrme-Hartree-Fock models. Using a non-linear effective Lagrangian fitted on ground state properties of finite nuclei, it is found that the predictions of relativistic models are lower than those of Hartree-Fock calculations with Skyrme force. The main sources of reduction are the kinetic energy and the Coulomb-nuclear interference potential. The discrepancy with the data is larger than in the Skyrme-Hartree-Fock case. (author) 24 refs., 3 tabs

  5. Position map calculations of BPMs by CST particle studio for non-relativistic energies

    Energy Technology Data Exchange (ETDEWEB)

    Forck, Peter; Almalki, Mohammed; Kester, Oliver [GSI, Darmstadt (Germany); Goethe Universitaet Frankfurt (Germany); He, Jun [Institute of High Energy Physics, CAS Beijing (China); Kaufmann, Wolfgang; Sieber, Thomas; Singh, Rahul [GSI, Darmstadt (Germany)

    2016-07-01

    Beam positon monitors BPM at LINACs serve as the basic instrument for non-destructive position determination as yield from the difference-over-sum of signal of opposite electrodes. The time evolution of the signals, and consequently their Fourier-transformations, depend on the particle velocity and the distance from the electrodes. Position maps, i.e. electrodes difference-over-sum signal versus beam offset, were calculated using the wake-field solver CST Particle Studio in the velocity range from 0.05c to 0.5c for two BPM types. For the planned proton LINAC at FAIR, four separated button BPM electrodes are foreseen. The BPMs installed in the GSI UNILAC are made of a ceramic ring with four metallized sectors installed in a special housing. For the latter type resonances and capacitive coupling between the sectors modify the position map. The general findings and peculiarities of both types are presented.

  6. Search for non-relativistic Magnetic Monopoles with IceCube

    DEFF Research Database (Denmark)

    Aartsen, M.G.; Abbasi, R.; Ackermann, M.

    2014-01-01

    Theory (GUT) era shortly after the Big Bang. Depending on the underlying gauge group these monopoles may catalyze the decay of nucleons via the Rubakov–Callan effect with a cross section suggested to be in the range of 10^−27 to 10^−21cm2 . In IceCube, the Cherenkov light from nucleon decays along...

  7. DC conductivities from non-relativistic scaling geometries with momentum dissipation

    Energy Technology Data Exchange (ETDEWEB)

    Cremonini, S. [Department of Physics, Lehigh University,16 Memorial Drive East, Bethlehem, PA 18018 (United States); Liu, Hai-Shan [Institute for Advanced Physics & Mathematics, Zhejiang University of Technology,Hangzhou 310023 (China); George P. & Cynthia Woods Mitchell Institute for Fundamental Physics and Astronomy,Texas A& M University, College Station, TX 77843 (United States); Lü, H. [Center for Advanced Quantum Studies, Department of Physics, Beijing Normal University,Beijing 100875 (China); Pope, C.N. [George P. & Cynthia Woods Mitchell Institute for Fundamental Physics and Astronomy,Texas A& M University, College Station, TX 77843 (United States); Center for Advanced Quantum Studies, Department of Physics, Beijing Normal University,Beijing 100875 (China); DAMTP, Centre for Mathematical Sciences, Cambridge University,Wilberforce Road, Cambridge CB3 OWA (United Kingdom)

    2017-04-04

    We consider a gravitational theory with two Maxwell fields, a dilatonic scalar and spatially dependent axions. Black brane solutions to this theory are Lifshitz-like and violate hyperscaling. Working with electrically charged solutions, we calculate analytically the holographic DC conductivities when both gauge fields are allowed to fluctuate. We discuss some of the subtleties associated with relating the horizon to the boundary data, focusing on the role of Lifshitz asymptotics and the presence of multiple gauge fields. The axionic scalars lead to momentum dissipation in the dual holographic theory. Finally, we examine the behavior of the DC conductivities as a function of temperature, and comment on the cases in which one can obtain a linear resistivity.

  8. A predictive model for the tokamak density limit

    International Nuclear Information System (INIS)

    Teng, Q.; Brennan, D. P.; Delgado-Aparicio, L.; Gates, D. A.; Swerdlow, J.; White, R. B.

    2016-01-01

    We reproduce the Greenwald density limit, in all tokamak experiments by using a phenomenologically correct model with parameters in the range of experiments. A simple model of equilibrium evolution and local power balance inside the island has been implemented to calculate the radiation-driven thermo-resistive tearing mode growth and explain the density limit. Strong destabilization of the tearing mode due to an imbalance of local Ohmic heating and radiative cooling in the island predicts the density limit within a few percent. Furthermore, we found the density limit and it is a local edge limit and weakly dependent on impurity densities. Our results are robust to a substantial variation in model parameters within the range of experiments.

  9. High-Latitude Neutral Mass Density Maxima

    Science.gov (United States)

    Huang, C. Y.; Huang, Y.; Su, Y.-J.; Huang, T.; Sutton, E. K.

    2017-10-01

    Recent studies have reported that thermospheric effects due to solar wind driving can be observed poleward of auroral latitudes. In these papers, the measured neutral mass density perturbations appear as narrow, localized maxima in the cusp and polar cap. They conclude that Joule heating below the spacecraft is the cause of the mass density increases, which are sometimes associated with local field-aligned current structures, but not always. In this paper we investigate neutral mass densities measured by accelerometers on the CHAllenging Minisatellite Payload (CHAMP) and Gravity Recovery and Climate Experiment (GRACE) spacecraft from launch until years 2010 (CHAMP) and 2012 (GRACE), approximately 10 years of observations from each satellite. We extract local maxima in neutral mass densities over the background using a smoothing window with size of one quarter of the orbit. The maxima have been analyzed for each year and also for the duration of each set of satellite observations. We show where they occur, under what solar wind conditions, and their relation to magnetic activity. The region with the highest frequency of occurrence coincides approximately with the cusp and mantle, with little direct evidence of an auroral zone source. Our conclusions agree with the "hot polar cap" observations that have been reported and studied in the past.

  10. Fast clustering using adaptive density peak detection.

    Science.gov (United States)

    Wang, Xiao-Feng; Xu, Yifan

    2017-12-01

    Common limitations of clustering methods include the slow algorithm convergence, the instability of the pre-specification on a number of intrinsic parameters, and the lack of robustness to outliers. A recent clustering approach proposed a fast search algorithm of cluster centers based on their local densities. However, the selection of the key intrinsic parameters in the algorithm was not systematically investigated. It is relatively difficult to estimate the "optimal" parameters since the original definition of the local density in the algorithm is based on a truncated counting measure. In this paper, we propose a clustering procedure with adaptive density peak detection, where the local density is estimated through the nonparametric multivariate kernel estimation. The model parameter is then able to be calculated from the equations with statistical theoretical justification. We also develop an automatic cluster centroid selection method through maximizing an average silhouette index. The advantage and flexibility of the proposed method are demonstrated through simulation studies and the analysis of a few benchmark gene expression data sets. The method only needs to perform in one single step without any iteration and thus is fast and has a great potential to apply on big data analysis. A user-friendly R package ADPclust is developed for public use.

  11. Electron density and gas density measurements in a millimeter-wave discharge

    Energy Technology Data Exchange (ETDEWEB)

    Schaub, S. C., E-mail: sschaub@mit.edu; Hummelt, J. S.; Guss, W. C.; Shapiro, M. A.; Temkin, R. J. [Plasma Science and Fusion Center, Massachusetts Institute of Technology 167 Albany St., Bldg. NW16, Cambridge, Massachusetts 02139 (United States)

    2016-08-15

    Electron density and neutral gas density have been measured in a non-equilibrium air breakdown plasma using optical emission spectroscopy and two-dimensional laser interferometry, respectively. A plasma was created with a focused high frequency microwave beam in air. Experiments were run with 110 GHz and 124.5 GHz microwaves at powers up to 1.2 MW. Microwave pulses were 3 μs long at 110 GHz and 2.2 μs long at 124.5 GHz. Electron density was measured over a pressure range of 25 to 700 Torr as the input microwave power was varied. Electron density was found to be close to the critical density, where the collisional plasma frequency is equal to the microwave frequency, over the pressure range studied and to vary weakly with input power. Neutral gas density was measured over a pressure range from 150 to 750 Torr at power levels high above the threshold for initiating breakdown. The two-dimensional structure of the neutral gas density was resolved. Intense, localized heating was found to occur hundreds of nanoseconds after visible plasma formed. This heating led to neutral gas density reductions of greater than 80% where peak plasma densities occurred. Spatial structure and temporal dynamics of gas heating at atmospheric pressure were found to agree well with published numerical simulations.

  12. Electron density and gas density measurements in a millimeter-wave discharge

    International Nuclear Information System (INIS)

    Schaub, S. C.; Hummelt, J. S.; Guss, W. C.; Shapiro, M. A.; Temkin, R. J.

    2016-01-01

    Electron density and neutral gas density have been measured in a non-equilibrium air breakdown plasma using optical emission spectroscopy and two-dimensional laser interferometry, respectively. A plasma was created with a focused high frequency microwave beam in air. Experiments were run with 110 GHz and 124.5 GHz microwaves at powers up to 1.2 MW. Microwave pulses were 3 μs long at 110 GHz and 2.2 μs long at 124.5 GHz. Electron density was measured over a pressure range of 25 to 700 Torr as the input microwave power was varied. Electron density was found to be close to the critical density, where the collisional plasma frequency is equal to the microwave frequency, over the pressure range studied and to vary weakly with input power. Neutral gas density was measured over a pressure range from 150 to 750 Torr at power levels high above the threshold for initiating breakdown. The two-dimensional structure of the neutral gas density was resolved. Intense, localized heating was found to occur hundreds of nanoseconds after visible plasma formed. This heating led to neutral gas density reductions of greater than 80% where peak plasma densities occurred. Spatial structure and temporal dynamics of gas heating at atmospheric pressure were found to agree well with published numerical simulations.

  13. Local unitary transformation method for large-scale two-component relativistic calculations. II. Extension to two-electron Coulomb interaction.

    Science.gov (United States)

    Seino, Junji; Nakai, Hiromi

    2012-10-14

    The local unitary transformation (LUT) scheme at the spin-free infinite-order Douglas-Kroll-Hess (IODKH) level [J. Seino and H. Nakai, J. Chem. Phys. 136, 244102 (2012)], which is based on the locality of relativistic effects, has been extended to a four-component Dirac-Coulomb Hamiltonian. In the previous study, the LUT scheme was applied only to a one-particle IODKH Hamiltonian with non-relativistic two-electron Coulomb interaction, termed IODKH/C. The current study extends the LUT scheme to a two-particle IODKH Hamiltonian as well as one-particle one, termed IODKH/IODKH, which has been a real bottleneck in numerical calculation. The LUT scheme with the IODKH/IODKH Hamiltonian was numerically assessed in the diatomic molecules HX and X(2) and hydrogen halide molecules, (HX)(n) (X = F, Cl, Br, and I). The total Hartree-Fock energies calculated by the LUT method agree well with conventional IODKH/IODKH results. The computational cost of the LUT method is reduced drastically compared with that of the conventional method. In addition, the LUT method achieves linear-scaling with respect to the system size and a small prefactor.

  14. Edge plasma density convection during ICRH on Tore Supra

    International Nuclear Information System (INIS)

    Becoulet, M.; Colas, L.; Gunn, J.; Ghendrih, Ph.; Becoulet, A.; Pecoul, S.; Heuraux, S.

    2001-11-01

    The 2D edge plasma density distribution around ion cyclotron resonance heating (ICRH) antennae is studied experimentally and numerically in the tokamak Tore Supra (TS). A local density decrease in front of the loaded ICRH antenna ('pump-out' effect) is demonstrated by Langmuir probe measurements in a low recycling regime. An up-down asymmetry in the heat-flux and in the antenna erosion is also observed, and is associated with poloidal variations of the local density. These density redistributions are ascribed to an ExB convection process linked with RF-sheaths. To assess this interpretation, the 2D transport code CELLS was developed for modeling the density distribution near an antenna. The code takes into account perpendicular diffusion, parallel transport and convection in RF-sheath-driven potentials given by the 3D-antenna code ICANT. The strong density differences obtained in simulations reproduce up-down asymmetries of the heat fluxes. (authors)

  15. Bone Density and Dental External Apical Root Resorption

    Science.gov (United States)

    Iglesias-Linares, Alejandro; Morford, Lorri Ann

    2016-01-01

    When orthodontic patients desire shorter treatment times with aesthetic results and long-term stability, it is important for the orthodontist to understand the potential limitations and problems that may arise during standard and/or technology-assisted accelerated treatment. Bone density plays an important role in facilitating orthodontic tooth movement (OTM), such that reductions in bone density can significantly increase movement velocity. Lifestyle, genetic background, environmental factors and disease status all can influence a patients’ overall health and bone density. In some individuals, these factors may create specific conditions that influence systemic-wide bone metabolism. Both genetic variation and the onset of a bone-related disease can influence systemic bone density and local bone density, such as is observed in the mandible and maxilla. These types of localized density changes can affect the rate of OTM and may also influence the risk of unwanted outcomes, i.e., the occurrence of dental external apical root resorption (EARR). PMID:27766484

  16. Edge plasma density convection during ICRH on Tore Supra

    Energy Technology Data Exchange (ETDEWEB)

    Becoulet, M.; Colas, L.; Gunn, J.; Ghendrih, Ph.; Becoulet, A. [Association Euratom-CEA Cadarache, 13 - Saint-Paul-lez-Durance (France). Dept. de Recherches sur la Fusion Controlee; Pecoul, S.; Heuraux, S. [Nancy-1 Univ., 54 (France). Lab. de Physique des Milieux Ionises

    2001-11-01

    The 2D edge plasma density distribution around ion cyclotron resonance heating (ICRH) antennae is studied experimentally and numerically in the tokamak Tore Supra (TS). A local density decrease in front of the loaded ICRH antenna ('pump-out' effect) is demonstrated by Langmuir probe measurements in a low recycling regime. An up-down asymmetry in the heat-flux and in the antenna erosion is also observed, and is associated with poloidal variations of the local density. These density redistributions are ascribed to an ExB convection process linked with RF-sheaths. To assess this interpretation, the 2D transport code CELLS was developed for modeling the density distribution near an antenna. The code takes into account perpendicular diffusion, parallel transport and convection in RF-sheath-driven potentials given by the 3D-antenna code ICANT. The strong density differences obtained in simulations reproduce up-down asymmetries of the heat fluxes. (authors)

  17. Local Sustainability

    International Nuclear Information System (INIS)

    Carrizosa Umana, Julio

    1998-01-01

    The current polemic about the possibilities of sustainable development has led to a renovated interest for the topic of the sustainability of the communities and the local sustainability. In front of the global sustainability whose conditions have been exposed by systemic ecologists and for macro economists, the sustainability of specific places arises in the planet whose conditions are object of study of the ecology of landscapes, of the ecological economy, of the cultural anthropology, of the environmental sociology and naturally, of the integral environmentalism. In this discussion the Colombian case charges unusual interest to be one of the few countries of Latin America, where a very dense net of municipalities exists, each one with its urban helmet and with a position and some functions defined by the political constitution of the nation. This net of municipalities and of urban helmets it also constitutes net of alternative to the current macro-cephalic situation. As well as Bogota grew, in a hundred years, of less than a hundred thousand inhabitants to six million inhabitants, each one of these municipalities contains a potential of growth that depends on the characteristics of its ecological, social, economic and politic sustainability

  18. CRISS power spectral density

    International Nuclear Information System (INIS)

    Vaeth, W.

    1979-04-01

    The correlation of signal components at different frequencies like higher harmonics cannot be detected by a normal power spectral density measurement, since this technique correlates only components at the same frequency. This paper describes a special method for measuring the correlation of two signal components at different frequencies: the CRISS power spectral density. From this new function in frequency analysis, the correlation of two components can be determined quantitatively either they stem from one signal or from two diverse signals. The principle of the method, suitable for the higher harmonics of a signal as well as for any other frequency combinations is shown for the digital frequency analysis technique. Two examples of CRISS power spectral densities demonstrates the operation of the new method. (orig.) [de

  19. Excited-state density functional theory

    International Nuclear Information System (INIS)

    Harbola, Manoj K; Hemanadhan, M; Shamim, Md; Samal, P

    2012-01-01

    Starting with a brief introduction to excited-state density functional theory, we present our method of constructing modified local density approximated (MLDA) energy functionals for the excited states. We show that these functionals give accurate results for kinetic energy and exchange energy compared to the ground state LDA functionals. Further, with the inclusion of GGA correction, highly accurate total energies for excited states are obtained. We conclude with a brief discussion on the further direction of research that include the construction of correlation energy functional and exchange potential for excited states.

  20. High density data recording for SSCL linac

    International Nuclear Information System (INIS)

    VanDeusen, A.L.; Crist, C.

    1993-01-01

    The Superconducting Super Collider Laboratory and AlliedSignal Aerospace have collaboratively developed a high density data monitoring system for beam diagnostic activities. The 128 channel data system is based on a custom multi-channel high speed digitizer card for the VXI bus. The card is referred to as a Modular Input VXI (MIX) digitizer. Multiple MIX cards are used in the complete system to achieve the necessary high channel density requirements. Each MIX digitizer card also contains programmable signal conditioning, and enough local memory to complete an entire beam scan without assistance from the host processor

  1. High density dispersion fuel

    International Nuclear Information System (INIS)

    Hofman, G.L.

    1996-01-01

    A fuel development campaign that results in an aluminum plate-type fuel of unlimited LEU burnup capability with an uranium loading of 9 grams per cm 3 of meat should be considered an unqualified success. The current worldwide approved and accepted highest loading is 4.8 g cm -3 with U 3 Si 2 as fuel. High-density uranium compounds offer no real density advantage over U 3 Si 2 and have less desirable fabrication and performance characteristics as well. Of the higher-density compounds, U 3 Si has approximately a 30% higher uranium density but the density of the U 6 X compounds would yield the factor 1.5 needed to achieve 9 g cm -3 uranium loading. Unfortunately, irradiation tests proved these peritectic compounds have poor swelling behavior. It is for this reason that the authors are turning to uranium alloys. The reason pure uranium was not seriously considered as a dispersion fuel is mainly due to its high rate of growth and swelling at low temperatures. This problem was solved at least for relatively low burnup application in non-dispersion fuel elements with small additions of Si, Fe, and Al. This so called adjusted uranium has nearly the same density as pure α-uranium and it seems prudent to reconsider this alloy as a dispersant. Further modifications of uranium metal to achieve higher burnup swelling stability involve stabilization of the cubic γ phase at low temperatures where normally α phase exists. Several low neutron capture cross section elements such as Zr, Nb, Ti and Mo accomplish this in various degrees. The challenge is to produce a suitable form of fuel powder and develop a plate fabrication procedure, as well as obtain high burnup capability through irradiation testing

  2. Gap and density theorems

    CERN Document Server

    Levinson, N

    1940-01-01

    A typical gap theorem of the type discussed in the book deals with a set of exponential functions { \\{e^{{{i\\lambda}_n} x}\\} } on an interval of the real line and explores the conditions under which this set generates the entire L_2 space on this interval. A typical gap theorem deals with functions f on the real line such that many Fourier coefficients of f vanish. The main goal of this book is to investigate relations between density and gap theorems and to study various cases where these theorems hold. The author also shows that density- and gap-type theorems are related to various propertie

  3. Nuclear level density

    International Nuclear Information System (INIS)

    Cardoso Junior, J.L.

    1982-10-01

    Experimental data show that the number of nuclear states increases rapidly with increasing excitation energy. The properties of highly excited nuclei are important for many nuclear reactions, mainly those that go via processes of the compound nucleus type. In this case, it is sufficient to know the statistical properties of the nuclear levels. First of them is the function of nuclear levels density. Several theoretical models which describe the level density are presented. The statistical mechanics and a quantum mechanics formalisms as well as semi-empirical results are analysed and discussed. (Author) [pt

  4. Polarizable Density Embedding

    DEFF Research Database (Denmark)

    Olsen, Jógvan Magnus Haugaard; Steinmann, Casper; Ruud, Kenneth

    2015-01-01

    We present a new QM/QM/MM-based model for calculating molecular properties and excited states of solute-solvent systems. We denote this new approach the polarizable density embedding (PDE) model and it represents an extension of our previously developed polarizable embedding (PE) strategy. The PDE...... model is a focused computational approach in which a core region of the system studied is represented by a quantum-chemical method, whereas the environment is divided into two other regions: an inner and an outer region. Molecules belonging to the inner region are described by their exact densities...

  5. Silicon surface barrier detectors used for liquid hydrogen density measurement

    Science.gov (United States)

    James, D. T.; Milam, J. K.; Winslett, H. B.

    1968-01-01

    Multichannel system employing a radioisotope radiation source, strontium-90, radiation detector, and a silicon surface barrier detector, measures the local density of liquid hydrogen at various levels in a storage tank. The instrument contains electronic equipment for collecting the density information, and a data handling system for processing this information.

  6. Quantum Locality?

    Science.gov (United States)

    Stapp, Henry P.

    2012-05-01

    , in response to Griffiths' challenge, why a putative proof of locality that he has described is flawed.

  7. Localization of waves in a fluctuating plasma

    International Nuclear Information System (INIS)

    Escande, D.F.; Souillard, B.

    1984-01-01

    We present the first application of localization theory to plasma physics: Density fluctuations induce exponential localization of longitudinal and transverse electron plasma waves, i.e., the eigenmodes have an amplitude decreasing exponentially for large distances without any dissipative mechanism in the plasma. This introduces a new mechanism for converting a convective instability into an absolute one. Localization should be observable in clear-cut experiments

  8. Detection of entanglement with few local measurements

    International Nuclear Information System (INIS)

    Guehne, O.; Hyllus, P.; Bruss, D.; Lewenstein, M.; Sanpera, A.; Ekert, A.; Macchiavello, C.

    2002-01-01

    We introduce a general method for the experimental detection of entanglement by performing only few local measurements, assuming some prior knowledge of the density matrix. The idea is based on the minimal decomposition of witness operators into a pseudomixture of local operators. We discuss an experimentally relevant case of two qubits, and show an example how bound entanglement can be detected with few local measurements

  9. Detection of entanglement with few local measurements

    OpenAIRE

    Guehne, O.; Hyllus, P.; Bruss, D.; Ekert, A.; Lewenstein, M.; Macchiavello, C.; Sanpera, A.

    2002-01-01

    We introduce a general method for the experimental detection of entanglement by performing only few local measurements, assuming some prior knowledge of the density matrix. The idea is based on the minimal decomposition of witness operators into a pseudo-mixture of local operators. We discuss an experimentally relevant case of two qubits, and show an example how bound entanglement can be detected with few local measurements.

  10. Detection of entanglement with few local measurements

    Science.gov (United States)

    Gühne, O.; Hyllus, P.; Bruß, D.; Ekert, A.; Lewenstein, M.; Macchiavello, C.; Sanpera, A.

    2002-12-01

    We introduce a general method for the experimental detection of entanglement by performing only few local measurements, assuming some prior knowledge of the density matrix. The idea is based on the minimal decomposition of witness operators into a pseudomixture of local operators. We discuss an experimentally relevant case of two qubits, and show an example how bound entanglement can be detected with few local measurements.

  11. A Tryst With Density

    Indian Academy of Sciences (India)

    best known for developing the density functional theory (DFT). This is an extremely ... lem that has become famous in popular culture is that of the planet. Tatooine. Fans of ... the Schrödinger equation (or, if relativistic effects are important, the Dirac .... it supplies a moral justification for one's subsequent endeav- ours along ...

  12. Density in Liquids.

    Science.gov (United States)

    Nesin, Gert; Barrow, Lloyd H.

    1984-01-01

    Describes a fourth-grade unit on density which introduces a concept useful in the study of chemistry and procedures appropriate to the chemistry laboratory. The hands-on activities, which use simple equipment and household substances, are at the level of thinking Piaget describes as concrete operational. (BC)

  13. Destiny from density

    OpenAIRE

    Seewaldt, Victoria L.

    2012-01-01

    The identification of a signalling protein that regulates the accumulation of fat and connective tissue in breasts may help to explain why high mammographic density is linked to breast-cancer risk and may provide a marker for predicting this risk.

  14. Polarizable Density Embedding

    DEFF Research Database (Denmark)

    Reinholdt, Peter; Kongsted, Jacob; Olsen, Jógvan Magnus Haugaard

    2017-01-01

    We analyze the performance of the polarizable density embedding (PDE) model-a new multiscale computational approach designed for prediction and rationalization of general molecular properties of large and complex systems. We showcase how the PDE model very effectively handles the use of large...

  15. Local Foods, Local Places Summary Reports

    Science.gov (United States)

    These reports summarize community projects done with Local Foods, Local Places assistance, including farmers markets, cooperatives, community gardens, and other food-related enterprises that can boost local economies and drive revitalization.

  16. A mechanistic analysis of density dependence in algal population dynamics

    Directory of Open Access Journals (Sweden)

    Adrian eBorlestean

    2015-04-01

    Full Text Available Population density regulation is a fundamental principle in ecology, but the specific process underlying functional expression of density dependence remains to be fully elucidated. One view contends that patterns of density dependence are largely fixed across a species irrespective of environmental conditions, whereas another is that the strength and expression of density dependence are fundamentally variable depending on the nature of exogenous or endogenous constraints acting on the population. We conducted a study investigating the expression of density dependence in Chlamydomonas spp. grown under a gradient from low to high nutrient density. We predicted that the relationship between per capita growth rate (pgr and population density would vary from concave up to concave down as nutrient density became less limiting and populations experienced weaker density regulation. Contrary to prediction, we found that the relationship between pgr and density became increasingly concave-up as nutrient levels increased. We also found that variation in pgr increased, and pgr levels reached higher maxima in nutrient-limited environments. Most likely, these results are attributable to population growth suppression in environments with high intraspecific competition due to limited nutrient resources. Our results suggest that density regulation is strongly variable depending on exogenous and endogenous processes acting on the population, implying that expression of density dependence depends extensively on local conditions. Additional experimental work should reveal the mechanisms influencing how the expression of density dependence varies across populations through space and time.

  17. Solvent density inhomogeneities and solvation free energies in supercritical diatomic fluids: a density functional approach.

    Science.gov (United States)

    Husowitz, B; Talanquer, V

    2007-02-07

    Density functional theory is used to explore the solvation properties of a spherical solute immersed in a supercritical diatomic fluid. The solute is modeled as a hard core Yukawa particle surrounded by a diatomic Lennard-Jones fluid represented by two fused tangent spheres using an interaction site approximation. The authors' approach is particularly suitable for thoroughly exploring the effect of different interaction parameters, such as solute-solvent interaction strength and range, solvent-solvent long-range interactions, and particle size, on the local solvent structure and the solvation free energy under supercritical conditions. Their results indicate that the behavior of the local coordination number in homonuclear diatomic fluids follows trends similar to those reported in previous studies for monatomic fluids. The local density augmentation is particularly sensitive to changes in solute size and is affected to a lesser degree by variations in the solute-solvent interaction strength and range. The associated solvation free energies exhibit a nonmonotonous behavior as a function of density for systems with weak solute-solvent interactions. The authors' results suggest that solute-solvent interaction anisotropies have a major influence on the nature and extent of local solvent density inhomogeneities and on the value of the solvation free energies in supercritical solutions of heteronuclear molecules.

  18. Quantum Locality?

    Energy Technology Data Exchange (ETDEWEB)

    Stapp, Henry

    2011-11-10

    vagaries that he cites do not upset the proof in question. It is show here in detail why the precise statement of this theorem justifies the specified application of CQT. It is also shown, in response to his challenge, why a putative proof of locality that he has proposed is not valid.

  19. Solidity of viscous liquids. IV. Density fluctuations

    DEFF Research Database (Denmark)

    Dyre, J. C.

    2006-01-01

    This paper is the fourth in a series exploring the physical consequences of the solidity of highly viscous liquids. It is argued that the two basic characteristics of a flow event (a jump between two energy minima in configuration space) are the local density change and the sum of all particle...... displacements. Based on this it is proposed that density fluctuations are described by a time-dependent Ginzburg-Landau equation with rates in k space of the form C+Dk^2 with D>>C a^2 where a is the average intermolecular distance. The inequality expresses a long-wavelength dominance of the dynamics which...... with Debye behavior at low frequencies and an omega^{−1/2} decay of the loss at high frequencies. Finally, a general formalism for the description of viscous liquid dynamics, which supplements the density dynamics by including stress fields, a potential energy field, and molecular orientational fields...

  20. Density-Based 3D Shape Descriptors

    Directory of Open Access Journals (Sweden)

    Schmitt Francis

    2007-01-01

    Full Text Available We propose a novel probabilistic framework for the extraction of density-based 3D shape descriptors using kernel density estimation. Our descriptors are derived from the probability density functions (pdf of local surface features characterizing the 3D object geometry. Assuming that the shape of the 3D object is represented as a mesh consisting of triangles with arbitrary size and shape, we provide efficient means to approximate the moments of geometric features on a triangle basis. Our framework produces a number of 3D shape descriptors that prove to be quite discriminative in retrieval applications. We test our descriptors and compare them with several other histogram-based methods on two 3D model databases, Princeton Shape Benchmark and Sculpteur, which are fundamentally different in semantic content and mesh quality. Experimental results show that our methodology not only improves the performance of existing descriptors, but also provides a rigorous framework to advance and to test new ones.