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Sample records for non-relativistic local density

  1. A relativistic non-relativistic Goldstone theorem: gapped Goldstones at finite charge density

    CERN Document Server

    Nicolis, Alberto

    2012-01-01

    We adapt the Goldstone theorem to study spontaneous symmetry breaking in relativistic theories at finite charge density. It is customary to treat systems at finite density via non-relativistic Hamiltonians. Here we highlight the importance of the underlying relativistic dynamics. This leads to seemingly new results whenever the charge in question is spontaneously broken and does not commute with other broken charges. These would normally be associated with gapless Goldstone excitations. We find that, in fact, their currents interpolate gapped excitations. We derive exact non-perturbative expressions for their gaps, in terms of the chemical potential and of the symmetry algebra.

  2. Semi-classical locality for the non-relativistic path integral in configuration space

    CERN Document Server

    Gomes, Henrique

    2015-01-01

    In an accompanying paper, we have put forward an interpretation of quantum mechanics grounded on a non-relativistic Lagrangian 3+1 formalism of a closed Universe, existing on timeless configuration space. However, not much was said there about the role of locality, which was not assumed. In this paper, I describe how subsystems existing in (spatial) regions with fixed boundary conditions can be represented as submanifolds of the complete configuration space. I show that if the action functional can be put in the form of Riemannian distance element, then dynamical independence of the subsystem implies that the respective submanifolds are totally geodesic. When two regions are mutually independent the semi-classical path integral kernel factorizes, showing cluster decomposition. To exemplify these constructions I then construct a specific gravitational system with two propagating physical degrees of freedom and no refoliation-invariance. Finally, considering the path integral in this 3+1 context, I implement an...

  3. Semi-classical Locality for the Non-relativistic Path Integral in Configuration Space

    Science.gov (United States)

    Gomes, Henrique

    2017-09-01

    In an accompanying paper Gomes (arXiv:1504.02818, 2015), we have put forward an interpretation of quantum mechanics based on a non-relativistic, Lagrangian 3+1 formalism of a closed Universe M, existing on timeless configuration space Q of some field over M. However, not much was said there about the role of locality, which was not assumed. This paper is an attempt to fill that gap. Locality in full can only emerge dynamically, and is not postulated. This new understanding of locality is based solely on the properties of extremal paths in configuration space. I do not demand locality from the start, as it is usually done, but showed conditions under which certain systems exhibit it spontaneously. In this way we recover semi-classical local behavior when regions dynamically decouple from each other, a notion more appropriate for extension into quantum mechanics. The dynamics of a sub-region O within the closed manifold M is independent of its complement, M-O, if the projection of extremal curves on Q onto the space of extremal curves intrinsic to O is a surjective map. This roughly corresponds to e^{i\\hat{H}t}circ prO= prOcirc e^{i\\hat{H}t}, where prO:Q→ Q_O^{partial O} is a linear projection. This criterion for locality can be made approximate—an impossible feat had it been already postulated—and it can be applied for theories which do not have hyperbolic equations of motion, and/or no fixed causal structure. When two regions are mutually independent according to the criterion proposed here, the semi-classical path integral kernel factorizes, showing cluster decomposition which is the ultimate aim of a definition of locality.

  4. Exotic Non-relativistic String

    CERN Document Server

    Casalbuoni, Roberto; Longhi, Giorgio

    2007-01-01

    We construct a classical non-relativistic string model in 3+1 dimensions. The model contains a spurion tensor field that is responsible for the non-commutative structure of the model. Under double dimensional reduction the model reduces to the exotic non-relativistic particle in 2+1 dimensions.

  5. Classical probability density distributions with uncertainty relations for ground states of simple non-relativistic quantum-mechanical systems

    Science.gov (United States)

    Radożycki, Tomasz

    2016-11-01

    The probability density distributions for the ground states of certain model systems in quantum mechanics and for their classical counterparts are considered. It is shown, that classical distributions are remarkably improved by incorporating into them the Heisenberg uncertainty relation between position and momentum. Even the crude form of this incorporation makes the agreement between classical and quantum distributions unexpectedly good, except for the small area, where classical momenta are large. It is demonstrated that the slight improvement of this form, makes the classical distribution very similar to the quantum one in the whole space. The obtained results are much better than those from the WKB method. The paper is devoted to ground states, but the method applies to excited states too.

  6. Renormalization group for non-relativistic fermions.

    Science.gov (United States)

    Shankar, R

    2011-07-13

    A brief introduction is given to the renormalization group for non-relativistic fermions at finite density. It is shown that Landau's theory of the Fermi liquid arises as a fixed point (with the Landau parameters as marginal couplings) and its instabilities as relevant perturbations. Applications to related areas, nuclear matter, quark matter and quantum dots, are briefly discussed. The focus will be on explaining the main ideas to people in related fields, rather than addressing the experts.

  7. Relativistic Remnants of Non-Relativistic Electrons

    CERN Document Server

    Kashiwa, Taro

    2015-01-01

    Electrons obeying the Dirac equation are investigated under the non-relativistic $c \\mapsto \\infty$ limit. General solutions are given by derivatives of the relativistic invariant functions whose forms are different in the time- and the space-like region, yielding the delta function of $(ct)^2 - x^2$. This light-cone singularity does survive to show that the charge and the current density of electrons travel with the speed of light in spite of their massiveness.

  8. Locality of correlation in density functional theory.

    Science.gov (United States)

    Burke, Kieron; Cancio, Antonio; Gould, Tim; Pittalis, Stefano

    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 EC → -AC ZlnZ + BCZ as Z → ∞, where Z is the atomic number, AC is known, and we estimate BC to be about 37 mhartree. The local density approximation yields AC exactly, but a very incorrect value for BC, 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 BC a functional of the TF density for the system. The implications for the construction of approximate density functionals are discussed.

  9. Non-Relativistic Spacetimes with Cosmological Constant

    OpenAIRE

    Aldrovandi, R.; Barbosa, A. L.; Crispino, L.C.B.; Pereira, J. G.

    1998-01-01

    Recent data on supernovae favor high values of the cosmological constant. Spacetimes with a cosmological constant have non-relativistic kinematics quite different from Galilean kinematics. De Sitter spacetimes, vacuum solutions of Einstein's equations with a cosmological constant, reduce in the non-relativistic limit to Newton-Hooke spacetimes, which are non-metric homogeneous spacetimes with non-vanishing curvature. The whole non-relativistic kinematics would then be modified, with possible ...

  10. Relativistic and non-relativistic geodesic equations

    Energy Technology Data Exchange (ETDEWEB)

    Giambo' , R.; Mangiarotti, L.; Sardanashvily, G. [Camerino Univ., Camerino, MC (Italy). Dipt. di Matematica e Fisica

    1999-07-01

    It is shown that any dynamic equation on a configuration space of non-relativistic time-dependent mechanics is associated with connections on its tangent bundle. As a consequence, every non-relativistic dynamic equation can be seen as a geodesic equation with respect to a (non-linear) connection on this tangent bundle. Using this fact, the relationships between relativistic and non-relativistic equations of motion is studied.

  11. Fields and fluids on curved non-relativistic spacetimes

    CERN Document Server

    Geracie, Michael; Roberts, Matthew M

    2015-01-01

    We consider non-relativistic curved geometries and argue that the background structure should be generalized from that considered in previous works. In this approach the derivative operator is defined by a Galilean spin connection valued in the Lie algebra of the Galilean group. This includes the usual spin connection plus an additional "boost connection" which parameterizes the freedom in the derivative operator not fixed by torsion or metric compatibility. As an example of this approach we develop the theory of non-relativistic dissipative fluids and find significant differences in both equations of motion and allowed transport coefficients from those found previously. Our approach also immediately generalizes to systems with independent mass and charge currents as would arise in multicomponent fluids. Along the way we also discuss how to write general locally Galilean invariant non-relativistic actions for multiple particle species at any order in derivatives. A detailed review of the geometry and its rela...

  12. Non-Relativistic Limit of the Dirac Equation

    CERN Document Server

    Ajaib, Muhammad Adeel

    2016-01-01

    We show that the first order form of the Schrodinger equation proposed in [1] can be obtained from the Dirac equation in the non-relativistic limit. We also show that the Pauli Hamiltonian is obtained from this equation by requiring local gauge invariance. In addition, we study the problem of a spin up particle incident on a finite potential barrier and show that the known quantum mechanical results are obtained. Finally, we consider the symmetric potential well and show that the quantum mechanical expression for the quantized energy levels of a particle is obtained with periodic boundary conditions. Based on these conclusions, we propose that the equation introduced in [1] is the non-relativistic limit of the Dirac equation and more appropriately describes spin 1/2 particles in the non-relativistic limit.

  13. Do non-relativistic neutrinos oscillate?

    Science.gov (United States)

    Akhmedov, Evgeny

    2017-07-01

    We study the question of whether oscillations between non-relativistic neutrinos or between relativistic and non-relativistic neutrinos are possible. The issues of neutrino production and propagation coherence and their impact on the above question are discussed in detail. It is demonstrated that no neutrino oscillations can occur when neutrinos that are non-relativistic in the laboratory frame are involved, except in a strongly mass-degenerate case. We also discuss how this analysis depends on the choice of the Lorentz frame. Our results are for the most part in agreement with Hinchliffe's rule.

  14. Entropy current for non-relativistic fluid

    CERN Document Server

    Banerjee, Nabamita; Jain, Akash; Roychowdhury, Dibakar

    2014-01-01

    We study transport properties of a parity-odd, non-relativistic charged fluid in presence of background electric and magnetic fields. To obtain stress tensor and charged current for the non-relativistic system we start with the most generic relativistic fluid, living in one higher dimension and reduce the constituent equations along the light-cone direction. We also reduce the equation satisfied by the entropy current of the relativistic theory and obtain a consistent entropy current for the non-relativistic system (we call it "canonical form" of the entropy current). Demanding that the non-relativistic fluid satisfies the second law of thermodynamics we impose constraints on various first order transport coefficients. For parity even fluid, this is straight forward; it tells us positive definiteness of different transport coefficients like viscosity, thermal conductivity, electric conductivity etc. However for parity-odd fluid, canonical form of the entropy current fails to confirm the second law of thermody...

  15. Holographic thermalization from non relativistic branes

    CERN Document Server

    Roychowdhury, Dibakar

    2016-01-01

    In this paper, based on the fundamental principles of Gauge/gravity duality and considering a \\textit{global quench}, we probe the physics of thermalization for a special class of strongly coupled non relativistic QFTs by computing the entanglement entropy of the plasma. The isometry group of such QFTs is comprised of the generators of the Schr\\"odinger algebra which could be precisely realized as an isometry group of the killing generators of an asymptotically Schr\\"odinger $ Dp $ brane space time. In our analysis, we note that during the pre local stages of the thermal equilibrium the entanglement entropy has a faster growth in time compared to its relativistic cousin. However, it shows a linear growth during the post local stages of thermal equilibrium where the so called tsunami velocity associated with the linear growth of the entanglement entropy saturates to that of its value corresponding to the relativistic scenario. Finally, we explore the saturation region and it turns out that one must constraint ...

  16. The local mass density

    Science.gov (United States)

    Veeder, G. J.

    1974-01-01

    An improved mass-luminosity relation for faint main-sequence stars derived from recently revised masses for some faint double stars is presented. The total local mass density is increased to nearly 0.2 solar masses per cu pc. This estimate is as large as the mass density required by Oort's (1965) dynamical analysis of stellar motions perpendicular to the galactic plane if the mass is concentrated in a narrow layer.

  17. Generalized One-Dimensional Point Interaction in Relativistic and Non-relativistic Quantum Mechanics

    CERN Document Server

    Shigehara, T; Mishima, T; Cheon, T; Cheon, Taksu

    1999-01-01

    We first give the solution for the local approximation of a four parameter family of generalized one-dimensional point interactions within the framework of non-relativistic model with three neighboring $\\delta$ functions. We also discuss the problem within relativistic (Dirac) framework and give the solution for a three parameter family. It gives a physical interpretation for so-called high energy substantially differ between non-relativistic and relativistic cases.

  18. Curved non-relativistic spacetimes, Newtonian gravitation and massive matter

    Energy Technology Data Exchange (ETDEWEB)

    Geracie, Michael, E-mail: mgeracie@uchicago.edu; Prabhu, Kartik, E-mail: kartikp@uchicago.edu; Roberts, Matthew M., E-mail: matthewroberts@uchicago.edu [Kadanoff Center for Theoretical Physics, Enrico Fermi Institute and Department of Physics, The University of Chicago, Chicago, Illinois 60637 (United States)

    2015-10-15

    There is significant recent work on coupling matter to Newton-Cartan spacetimes with the aim of investigating certain condensed matter phenomena. To this end, one needs to have a completely general spacetime consistent with local non-relativistic symmetries which supports massive matter fields. In particular, one cannot impose a priori restrictions on the geometric data if one wants to analyze matter response to a perturbed geometry. In this paper, we construct such a Bargmann spacetime in complete generality without any prior restrictions on the fields specifying the geometry. The resulting spacetime structure includes the familiar Newton-Cartan structure with an additional gauge field which couples to mass. We illustrate the matter coupling with a few examples. The general spacetime we construct also includes as a special case the covariant description of Newtonian gravity, which has been thoroughly investigated in previous works. We also show how our Bargmann spacetimes arise from a suitable non-relativistic limit of Lorentzian spacetimes. In a companion paper [M. Geracie et al., e-print http://arxiv.org/abs/1503.02680 ], we use this Bargmann spacetime structure to investigate the details of matter couplings, including the Noether-Ward identities, and transport phenomena and thermodynamics of non-relativistic fluids.

  19. Symmetries and couplings of non-relativistic electrodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Festuccia, Guido [Department of Physics and Astronomy, Uppsala University,Lägerhyddsvägen 1, Uppsala (Sweden); Hansen, Dennis [The Niels Bohr Institute, Copenhagen University,Blegdamsvej 17, Copenhagen Ø, DK-2100 (Denmark); Hartong, Jelle [Physique Théorique et Mathématique and International Solvay Institutes,Université Libre de Bruxelles, C.P. 231, Brussels, 1050 (Belgium); Obers, Niels A. [The Niels Bohr Institute, Copenhagen University,Blegdamsvej 17, Copenhagen Ø, DK-2100 (Denmark)

    2016-11-08

    We examine three versions of non-relativistic electrodynamics, known as the electric and magnetic limit theories of Maxwell’s equations and Galilean electrodynamics (GED) which is the off-shell non-relativistic limit of Maxwell plus a free scalar field. For each of these three cases we study the couplings to non-relativistic dynamical charged matter (point particles and charged complex scalars). The GED theory contains besides the electric and magnetic potentials a so-called mass potential making the mass parameter a local function. The electric and magnetic limit theories can be coupled to twistless torsional Newton-Cartan geometry while GED can be coupled to an arbitrary torsional Newton-Cartan background. The global symmetries of the electric and magnetic limit theories on flat space consist in any dimension of the infinite dimensional Galilean conformal algebra and a U(1) current algebra. For the on-shell GED theory this symmetry is reduced but still infinite dimensional, while off-shell only the Galilei algebra plus two dilatations remain. Hence one can scale time and space independently, allowing Lifshitz scale symmetries for any value of the critical exponent z.

  20. Symmetries and Couplings of Non-Relativistic Electrodynamics

    CERN Document Server

    Festuccia, Guido; Hartong, Jelle; Obers, Niels A

    2016-01-01

    We examine three versions of non-relativistic electrodynamics, known as the electric and magnetic limit theories of Maxwell's equations and Galilean electrodynamics (GED) which is the off-shell non-relativistic limit of Maxwell plus a free scalar field. For each of these three cases we study the couplings to non-relativistic dynamical charged matter (point particles and charged complex scalars). The GED theory contains besides the electric and magnetic potentials a so-called mass potential making the mass parameter a local function. The electric and magnetic limit theories can be coupled to twistless torsional Newton-Cartan geometry while GED can be coupled to an arbitrary torsional Newton-Cartan background. The global symmetries of the electric and magnetic limit theories on flat space consist in any dimension of the infinite dimensional Galilean conformal algebra and a $U(1)$ current algebra. For the on-shell GED theory this symmetry is reduced but still infinite dimensional, while off-shell only the Galile...

  1. Non-relativistic Quantum Mechanics versus Quantum Field Theories

    OpenAIRE

    Pineda, Antonio

    2007-01-01

    We briefly review the derivation of a non-relativistic quantum mechanics description of a weakly bound non-relativistic system from the underlying quantum field theory. We highlight the main techniques used.

  2. Supersymmetric solutions for non-relativistic holography

    Energy Technology Data Exchange (ETDEWEB)

    Donos, Aristomenis [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Gauntlett, Jerome P. [Blackett Laboratory, Imperial College, London (United Kingdom)]|[Institute for Mathematical Sciences, Imperial College, London (United Kingdom)

    2009-01-15

    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.)

  3. Non relativistic limit of integrable QFT and Lieb-Liniger models

    Science.gov (United States)

    Bastianello, Alvise; De Luca, Andrea; Mussardo, Giuseppe

    2016-12-01

    In this paper we study a suitable limit of integrable QFT with the aim to identify continuous non-relativistic integrable models with local interactions. This limit amounts to sending to infinity the speed of light c but simultaneously adjusting the coupling constant g of the quantum field theories in such a way to keep finite the energies of the various excitations. The QFT considered here are Toda field theories and the O(N) non-linear sigma model. In both cases the resulting non-relativistic integrable models consist only of Lieb-Liniger models, which are fully decoupled for the Toda theories while symmetrically coupled for the O(N) model. These examples provide explicit evidence of the universality and ubiquity of the Lieb-Liniger models and, at the same time, suggest that these models may exhaust the list of possible non-relativistic integrable theories of bosonic particles with local interactions.

  4. Non Relativistic Limit of Integrable QFT and Lieb-Liniger Models

    CERN Document Server

    Bastianello, Alvise; Mussardo, Giuseppe

    2016-01-01

    In this paper we study a suitable limit of integrable QFT with the aim to identify non-relativistic integrable models with local interactions. This limit amounts to sending to infinity the speed of light c but simultaneously adjusting the coupling constant g of the quantum field theories in such a way to keep finite the energies of the various excitations. The QFT considered here are Toda Field Theories and the O(N) non-linear sigma model. In both cases the resulting non-relativistic integrable models consist only of Lieb-Liniger models, which are fully decoupled for the Toda theories while symmetrically coupled for the O(N) model. These examples provide explicit evidence of the universality and ubiquity of the Lieb-Liniger models and, at the same time, suggest that these models may exhaust the list of possible non-relativistic integrable theories of bosonic particles with local interactions.

  5. Microscopic picture of non-relativistic classicalons

    Energy Technology Data Exchange (ETDEWEB)

    Berkhahn, Felix; Müller, Sophia; Niedermann, Florian; Schneider, Robert, E-mail: felix.berkhahn@physik.lmu.de, E-mail: sophia.x.mueller@physik.uni-muenchen.de, E-mail: florian.niedermann@physik.lmu.de, E-mail: robert.bob.schneider@physik.uni-muenchen.de [Arnold Sommerfeld Center for Theoretical Physics, Ludwig-Maximilians-Universität, Theresienstraße 37, 80333 Munich (Germany)

    2013-08-01

    A theory of a non-relativistic, complex scalar field with derivatively coupled interaction terms is investigated. This toy model is considered as a prototype of a classicalizing theory and in particular of general relativity, for which the black hole constitutes a prominent example of a classicalon. Accordingly, the theory allows for a non-trivial solution of the stationary Gross-Pitaevskii equation corresponding to a black hole in the case of GR. Quantum fluctuations on this classical background are investigated within the Bogoliubov approximation. It turns out that the perturbative approach is invalidated by a high occupation of the Bogoliubov modes. Recently, it was proposed that a black hole is a Bose-Einstein condensate of gravitons that dynamically ensures to stay at the verge of a quantum phase transition. Our result is understood as an indication for that claim. Furthermore, it motivates a non-linear numerical analysis of the model.

  6. Relativistic and Non-relativistic Equations of Motion

    CERN Document Server

    Mangiarotti, L

    1998-01-01

    It is shown that any second order dynamic equation on a configuration space $X$ of non-relativistic time-dependent mechanics can be seen as a geodesic equation with respect to some (non-linear) connection on the tangent bundle $TX\\to X$ of relativistic velocities. Using this fact, the relationship between relativistic and non-relativistic equations of motion is studied.

  7. Extended Galilean symmetries of non-relativistic strings

    Science.gov (United States)

    Batlle, Carles; Gomis, Joaquim; Not, Daniel

    2017-02-01

    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.

  8. Extended Galilean symmetries of non-relativistic strings

    CERN Document Server

    Batlle, Carles; Not, Daniel

    2016-01-01

    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.

  9. Non-relativistic particles in a thermal bath

    Directory of Open Access Journals (Sweden)

    Vairo Antonio

    2014-04-01

    Full Text Available Heavy particles are a window to new physics and new phenomena. Since the late eighties they are treated by means of effective field theories that fully exploit the symmetries and power counting typical of non-relativistic systems. More recently these effective field theories have been extended to describe non-relativistic particles propagating in a medium. After introducing some general features common to any non-relativistic effective field theory, we discuss two specific examples: heavy Majorana neutrinos colliding in a hot plasma of Standard Model particles in the early universe and quarkonia produced in heavy-ion collisions dissociating in a quark-gluon plasma.

  10. Covariant geometric quantization of non-relativistic Hamiltonian mechanics

    CERN Document Server

    Giachetta, G; Sardanashvily, G

    2000-01-01

    We provide geometric quantization of the vertical cotangent bundle V^*Q equipped with the canonical Poisson structure. This is a momentum phase space of non-relativistic mechanics with the configuration bundle Q -> R. The goal is the Schrodinger representation of V^*Q. We show that this quantization is equivalent to the fibrewise quantization of symplectic fibres of V^*Q -> R, that makes the quantum algebra of non-relativistic mechanics an instantwise algebra. Quantization of the classical evolution equation defines a connection on this instantwise algebra, which provides quantum evolution in non-relativistic mechanics as a parallel transport along time.

  11. Energy shift of interacting non-relativistic fermions in noncommutative space

    Directory of Open Access Journals (Sweden)

    A. Jahan

    2005-06-01

    Full Text Available   A local interaction in noncommutative space modifies to a non-local one. For an assembly of particles interacting through the contact potential, formalism of the quantum field theory makes it possible to take into account the effect of modification of the potential on the energy of the system. In this paper we calculate the energy shift of an assembly of non-relativistic fermions, interacting through the contact potential in the presence of the two-dimensional noncommutativity.

  12. Symmetry and Covariance of Non-relativistic Quantum Mechanics

    OpenAIRE

    Omote, Minoru; kamefuchi, Susumu

    2000-01-01

    On the basis of a 5-dimensional form of space-time transformations non-relativistic quantum mechanics is reformulated in a manifestly covariant manner. The resulting covariance resembles that of the conventional relativistic quantum mechanics.

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

    OpenAIRE

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

    2001-01-01

    In the framework of the non relativistic quark model, an exhaustive study of radiative transitions in mesons is performed. The emphasis is put on several points. Some traditional approximations (long wave length limit, non relativistic phase space, dipole approximation for E1 transitions, gaussian wave functions) are analyzed in detail and their effects commented. A complete treatment using three different types of realistic quark-antiquark potential is made. The overall agreement with experi...

  14. Radiative transitions in mesons in a non relativistic quark model

    CERN Document Server

    Bonnaz, R; Gignoux, C

    2002-01-01

    In the framework of the non relativistic quark model, an exhaustive study of radiative transitions in mesons is performed. The emphasis is put on several points. Some traditional approximations (long wave length limit, non relativistic phase space, dipole approximation for E1 transitions, gaussian wave functions) are analyzed in detail and their effects commented. A complete treatment using three different types of realistic quark-antiquark potential is made. The overall agreement with experimental data is quite good, but some improvements are suggested.

  15. Nonlinear magnetosonic waves in dense plasmas with non-relativistic and ultra-relativistic degenerate electrons

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, S.; Mahmood, S.; Rehman, Aman-ur- [Theoretical Physics Division (TPD), PINSTECH, P.O. Nilore, Islamabad 44000, Pakistan and Pakistan Institute of Engineering and Applied Sciences (PIEAS), P.O. Nilore, Islamabad 44000 (Pakistan)

    2014-11-15

    Linear and nonlinear propagation of magnetosonic waves in the perpendicular direction to the ambient magnetic field is studied in dense plasmas for non-relativistic and ultra-relativistic degenerate electrons pressure. The sources of nonlinearities are the divergence of the ions and electrons fluxes, Lorentz forces on ions and electrons fluids and the plasma current density in the system. The Korteweg-de Vries equation for magnetosonic waves propagating in the perpendicular direction of the magnetic field is derived by employing reductive perturbation method for non-relativistic as well as ultra-relativistic degenerate electrons pressure cases in dense plasmas. The plots of the magnetosonic wave solitons are also shown using numerical values of the plasma parameters such a plasma density and magnetic field intensity of the white dwarfs from literature. The dependence of plasma density and magnetic field intensity on the magnetosonic wave propagation is also pointed out in dense plasmas for both non-relativistic and ultra-relativistic degenerate electrons pressure cases.

  16. Generalized Lagrangian-Path Representation of Non-Relativistic Quantum Mechanics

    Science.gov (United States)

    Tessarotto, Massimo; Cremaschini, Claudio

    2016-08-01

    In this paper a new trajectory-based representation to non-relativistic quantum mechanics is formulated. This is ahieved by generalizing the notion of Lagrangian path (LP) which lies at the heart of the deBroglie-Bohm " pilot-wave" interpretation. In particular, it is shown that each LP can be replaced with a statistical ensemble formed by an infinite family of stochastic curves, referred to as generalized Lagrangian paths (GLP). This permits the introduction of a new parametric representation of the Schrödinger equation, denoted as GLP-parametrization, and of the associated quantum hydrodynamic equations. The remarkable aspect of the GLP approach presented here is that it realizes at the same time also a new solution method for the N-body Schrödinger equation. As an application, Gaussian-like particular solutions for the quantum probability density function (PDF) are considered, which are proved to be dynamically consistent. For them, the Schrödinger equation is reduced to a single Hamilton-Jacobi evolution equation. Particular solutions of this type are explicitly constructed, which include the case of free particles occurring in 1- or N-body quantum systems as well as the dynamics in the presence of suitable potential forces. In all these cases the initial Gaussian PDFs are shown to be free of the spreading behavior usually ascribed to quantum wave-packets, in that they exhibit the characteristic feature of remaining at all times spatially-localized.

  17. On local dark matter density

    CERN Document Server

    Bidin, C Moni; Carraro, G; Mendez, R A; Moyano, M

    2014-01-01

    In 2012, we applied a three-dimensional formulation to kinematic measurements of the Galactic thick disk and derived a surprisingly low dark matter density at the solar position. This result was challenged by Bovy & Tremaine (2012, ApJ, 756, 89), who claimed that the observational data are consistent with the expected dark matter density if a one-dimensional approach is adopted. We analyze the assumption at the bases of their formulation and their claim that this returns a lower limit for the local dark matter density, which is accurate within 20%. We find that the validity of their formulation depends on the underlying mass distribution. We therefore analyze the predictions that their hypothesis casts on the radial gradient of the azimuthal velocity dV/dR and compare it with observational data as a testbed for the validity of their formulation. We find that their hypothesis requires too steep a profile of dV(Z)/dR, which is inconsistent with the observational data both in the Milky Way and in external ga...

  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 coordinat

  19. A brief introduction to non-relativistic supergravity

    Energy Technology Data Exchange (ETDEWEB)

    Zojer, Thomas [Van Swinderen Institute for Particle Physics and Gravity, University of Groningen (Netherlands)

    2016-04-15

    Non-relativistic geometries have received more attention lately. We review our attempts to construct supersymmetric extensions of this so-called Newton-Cartan geometry in three space-time dimensions. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. 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

  1. Non-relativistic classical mechanics for spinning particles

    CERN Document Server

    Salesi, G

    2004-01-01

    We study the classical dynamics of non-relativistic particles endowed with spin. Non-vanishing Zitterbewegung terms appear in the equation of motion also in the small momentum limit. We derive a generalized work-energy theorem which suggests classical interpretations for tunnel effect and quantum potential.

  2. Theory of non-relativistic three-particle scattering

    NARCIS (Netherlands)

    Malfliet, R.; Ruijgrok, Th.

    1967-01-01

    A new method, using asymptotically stationary states, is developed to calculate the S-matrix for the scattering of a non-relativistic particle by the bound state of two other particles. For the scattering with breakup of this bound state, we obtain a simplified form of the Faddeev integral

  3. The Local Dark Matter Density

    CERN Document Server

    Read, J I

    2014-01-01

    I review current efforts to measure the mean density of dark matter near the Sun. This encodes valuable dynamical information about our Galaxy and is also of great importance for 'direct detection' dark matter experiments. I discuss theoretical expectations in our current cosmology; the theory behind mass modelling of the Galaxy; and I show how combining local and global measures probes the shape of the Milky Way dark matter halo and the possible presence of a 'dark disc'. I stress the strengths and weaknesses of different methodologies and highlight the continuing need for detailed tests on mock data - particularly in the light of recently discovered evidence for disequilibria in the Milky Way disc. I highlight several recent measurements in order of increasing data complexity and prior, and, correspondingly, decreasing formal error bars. Comparing these measurements with spherical extrapolations from the Milky Way's rotation curve, I show that the Milky Way is consistent with having a spherical dark matter ...

  4. Non-relativistic twistor theory and Newton--Cartan geometry

    CERN Document Server

    Dunajski, Maciej

    2015-01-01

    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 ${\\mathcal O}\\oplus{\\mathcal O}(2)$. 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.

  5. Do non-relativistic neutrinos constitute the dark matter?

    NARCIS (Netherlands)

    Nieuwenhuizen, T.M.

    2009-01-01

    The dark matter of the Abell 1689 Galaxy Cluster is modeled by thermal, non-relativistic gravitating fermions and its galaxies and X-ray gas by isothermal distributions. A fit yields a mass of h(70)(1/2) (12/(g) over bar)(1)/(4) 1.445(30) eV. A dark-matter fraction Omega(nu) = h(70)(-3/2) 0.1893(39)

  6. Convex Decompositions of Thermal Equilibrium for Non-interacting Non-relativistic Particles

    Science.gov (United States)

    Chenu, Aurelia; Branczyk, Agata; Sipe, John

    2016-05-01

    We provide convex decompositions of thermal equilibrium for non-interacting non-relativistic particles in terms of localized wave packets. These quantum representations offer a new tool and provide insights that can help relate to the classical picture. Considering that thermal states are ubiquitous in a wide diversity of fields, studying different convex decompositions of the canonical ensemble is an interesting problem by itself. The usual classical and quantum pictures of thermal equilibrium of N non-interacting, non-relativistic particles in a box of volume V are quite different. The picture in classical statistical mechanics is about (localized) particles with a range of positions and velocities; in quantum statistical mechanics, one considers the particles (bosons or fermions) associated with energy eigenstates that are delocalized through the whole box. Here we provide a representation of thermal equilibrium in quantum statistical mechanics involving wave packets with a localized coordinate representation and an expectation value of velocity. In addition to derive a formalism that may help simplify particular calculations, our results can be expected to provide insights into the transition from quantum to classical features of the fully quantum thermal state.

  7. 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...

  8. 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.

  9. NON-RELATIVISTIC RADIATION MEDIATED SHOCK BREAKOUTS. III. SPECTRAL PROPERTIES OF SUPERNOVA SHOCK BREAKOUT

    Energy Technology Data Exchange (ETDEWEB)

    Sapir, Nir; Waxman, Eli [Department of Particle Physics and Astrophysics, Weizmann Institute of Science, Rehovot 76100 (Israel); Katz, Boaz [Institute for Advanced Study, Princeton, NJ 08540 (United States)

    2013-09-01

    The spectrum of radiation emitted following shock breakout from a star's surface with a power-law density profile {rho}{proportional_to}x{sup n} is investigated. Assuming planar geometry, local Compton equilibrium, and bremsstrahlung emission as the dominant photon production mechanism, numerical solutions are obtained for the photon number density and temperature profiles as a function of time for hydrogen-helium envelopes. The temperature solutions are determined by the breakout shock velocity v{sub 0} and the pre-shock breakout density {rho}{sub 0} and depend weakly on the value of n. Fitting formulae for the peak surface temperature at breakout as a function of v{sub 0} and {rho}{sub 0} are provided, with T{sub peak} approx. 9.44 exp [12.63(v{sub 0}/c){sup 1/2}] eV, and the time dependence of the surface temperature is tabulated. The time integrated emitted spectrum is a robust prediction of the model, determined by T{sub peak} and v{sub 0} alone and insensitive to details of light travel time or slight deviations from spherical symmetry. Adopting commonly assumed progenitor parameters, breakout luminosities of Almost-Equal-To 10{sup 45} erg s{sup -1} and Almost-Equal-To 10{sup 44} erg s{sup -1} in the 0.3-10 keV band are expected for blue supergiant (BSG) and red supergiant (RSG)/He-WR progenitors, respectively (T{sub peak} is well below the band for RSGs, unless their radius is {approx}10{sup 13} cm). >30 detections of SN 1987A-like (BSG) breakouts are expected over the lifetime of ROSAT and XMM-Newton. An absence of such detections would imply either that the typical parameters assumed for BSG progenitors are grossly incorrect or that their envelopes are not hydrostatic. The observed spectrum and duration of XRF 080109/SN 2008D are in tension with a non-relativistic breakout from a stellar surface interpretation.

  10. Are non-relativistic neutrinos the dark matter particles?

    Science.gov (United States)

    Nieuwenhuizen, Theo M.

    2010-06-01

    . Thereby the spead up the intracluster gas to virial speeds of 10 keV, which causes reionization without assistance of heavy stars. Within the analysis, the baryons are poor tracers of the dark matter density. This work is described in Theo M. Nieuwenhuizen, Do non-relativistic neutrinos constitute the dark matter? Europhysics Letters 86, 59001 (2009). This text of this paper is an update of this work. Structure formation is presently believed to need cold dark matter. However, hydrodynamics alone may explain baryonic clustering without this trigger. Th. M. Nieuwenhuizen, C. H. Gibson and R. E. Schild, Gravitational hydrodynamics of large scale structure formation, Europhysics Letters 2009, to appear.

  11. Velocity operator and velocity field for spinning particles in (non-relativistic) quantum mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Recami, E. [Bergamo Univ. (Italy). Facolta` di Ingegneria]|[INFN, Milan (Italy)]|[Campinas State Univ., SP (Brazil). Dept. of Applied Math.; Salesi, G. [Catania Univ. (Italy). Dip. di Fisica

    1995-06-01

    Starting from the formal expressions of the hydrodynamical (or local) quantities employed in the applications of Clifford Algebras to quantum mechanics, the paper introduces - in terms of the ordinary tensorial framework - a new definition for the field of a generic quantity. By translating from Clifford into tensor algebra, a new (non-relativistic) velocity operator for a spin 1/2 particle is also proposed. This operator is the sum of the ordinary part p/m describing the mean motion (the motion of the center-of-mass), and of a second part associated with the so-called Zitterbewegung, which is the spin internal motion observed in the center-of- mass frame. This spin component of the velocity operator is non-zero not only in the Pauli theoretical framework, i.e. in presence of external magnetic fields and spin precession, but also in the Schroedinger case, when the wave-function is a spin eigenstate. In the latter case, one gets a decomposition of the velocity field for the Madelueng fluid into two distinct parts: which the constitutes the non-relativistic analogue of the Gordon decomposition for the Dirac current.

  12. Non-relativistic perpendicular shocks modeling young supernova remnants: nonstationary dynamics and particle acceleration at forward and reverse shocks

    CERN Document Server

    Wieland, Volkmar; Niemiec, Jacek; Rafighi, Iman; Nishikawa, Ken-Ichi

    2016-01-01

    For parameters that are applicable to the conditions at young supernova remnants, we present results of 2D3V particle-in-cell simulations of a non-relativistic plasma shock with a large-scale perpendicular magnetic field inclined at 45-deg angle to the simulation plane to approximate 3D physics. We developed an improved clean setup that uses the collision of two plasma slabs with different density and velocity, leading to the development of two distinctive shocks and a contact discontinuity. The shock formation is mediated by Weibel-type filamentation instabilities that generate magnetic turbulence. Cyclic reformation is observed in both shocks with similar period, for which we note global variations on account of shock rippling and local variations arising from turbulent current filaments. The shock rippling occurs on spatial and temporal scales given by gyro-motions of shock-reflected ions. The drift motion of electrons and ions is not a gradient drift, but commensurates with E x B drift. We observe a stabl...

  13. Effective approach to non-relativistic quantum mechanics

    CERN Document Server

    Jacobs, David M

    2015-01-01

    Boundary conditions on non-relativistic wavefunctions are generally not completely constrained by the basic precepts of quantum mechanics, so understanding the set of possible self-adjoint extensions of the Hamiltonian is required. For real physical systems, non-trivial self-adjoint extensions have been used to model contact potentials when those interactions are expected a priori. However, they must be incorporated into the effective description of any quantum mechanical system in order to capture possible short-distance physics that does not decouple in the low energy limit. Here, an approach is described wherein an artificial boundary is inserted at an intermediate scale on which boundary conditions may encode short-distance effects that are hidden behind the boundary. Using this approach, an analysis is performed of the free particle, harmonic oscillator, and Coulomb potential in three dimensions. Requiring measurable quantities, such as spectra and cross sections, to be independent of this artificial bou...

  14. The Thomas-Fermi Quark Model: Non-Relativistic Aspects

    CERN Document Server

    Liu, Quan

    2012-01-01

    Non-relativistic aspects of the Thomas-Fermi statistical quark model are developed. A review is given and our modified approach to spin in the model is explained. Our results are limited so far to two inequivalent simultaneous wave functions which can apply to multiple degenerate flavors. An explicit spin interaction is introduced, which requires the introduction of a generalized spin "flavor". Although the model is designed to be most reliable for many-quark states, we find surprisingly that it may be used to fit the low energy spectrum of octet and decouplet baryons. The low energy fit allows us to investigate the six-quark doubly strange H-dibaryon state, possible 6 quark nucleon-nucleon resonances and flavor symmetric strange states of higher quark content.

  15. Remark on charge conjugation in the non relativistic limit

    CERN Document Server

    Cabo-Montes de Oca, Alejandro; Rojas, H P; Socolovsky, M

    2005-01-01

    We study the non relativistic limit of the charge conjugation operation $\\cal C$ in the context of the Dirac equation coupled to an electromagnetic field. The limit is well defined and, as in the relativistic case, $\\cal C$, $\\cal P$ (parity) and $\\cal T$ (time reversal) are the generators of a matrix group isomorphic to a semidirect sum of the dihedral group of eight elements and $\\Z_2$. The existence of the limit is supported by an argument based in quantum field theory. Finally, if one complexifies the Lorentz group and therefore the galilean spacetime $x_\\mu$, then the explicit form of the matrix for $\\cal C$ allows to interpret it, in this context, as the complex conjugation of the spatial coordinates: $\\vec{x} \\to \\vec{x}^*$. This result is natural in a fiber bundle description.

  16. Differential Regularization of a Non-relativistic Anyon Model

    CERN Document Server

    Freedman, Daniel Z; Rius, N

    1994-01-01

    Differential regularization is applied to a field theory of a non-relativistic charged boson field $\\phi$ with $\\lambda (\\phi {}^{*} \\phi)^2$ self-interaction and coupling to a statistics-changing $U(1)$ Chern-Simons gauge field. Renormalized configuration-space amplitudes for all diagrams contributing to the $\\phi {}^{*} \\phi {}^{*} \\phi \\phi$ 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 $\\beta$-function is investigated. If the renormalization scheme is fixed to agree with a previous 1-loop calculation, the 2- and 3-loop contributions to $\\beta(\\lambda,e)$ vanish, and $\\beta(\\lambda,e)$ itself vanishes when the ``self-dual'' condition relating $\\lambda$ to the gauge coupling $e$ is imposed.

  17. A Signed Particle Formulation of Non-Relativistic Quantum Mechanics

    CERN Document Server

    Sellier, Jean Michel

    2015-01-01

    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 Schroedinger 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 val...

  18. Ion Injection at Non-relativistic Collisionless Shocks

    CERN Document Server

    Caprioli, Damiano; Spitkovsky, Anatoly

    2014-01-01

    We use kinetic hybrid simulations (kinetic ions - fluid electrons) to characterize the fraction of ions that are accelerated to non-thermal energies at non-relativistic collisionless shocks. We investigate the properties of the shock discontinuity and show that shocks propagating almost along the background magnetic field (quasi-parallel shocks) reform quasi-periodically on ion cyclotron scales. Ions that impinge on the shock when the discontinuity is the steepest are specularly reflected. This is a necessary condition for being injected, but it is not sufficient. Also by following the trajectories of reflected ions, we calculate the minimum energy needed for injection into diffusive shock acceleration, as a function of the shock inclination. We construct a minimal model that accounts for the ion reflection from quasi-periodic shock barrier, for the fraction of injected ions, and for the ion spectrum throughout the transition from thermal to non-thermal energies. This model captures the physics relevant for i...

  19. Simulations of ion acceleration at non-relativistic shocks: ii) magnetic field amplification and particle diffusion

    CERN Document Server

    Caprioli, Damiano

    2014-01-01

    We use large hybrid (kinetic ions-fluid electrons) simulations to study ion acceleration and generation of magnetic turbulence due to the streaming of energetic particles that are self-consistently accelerated at non-relativistic shocks. When acceleration is efficient (at quasi-parallel shocks), we find that the magnetic field develops transverse components and is significantly amplified in the pre-shock medium. The total amplification factor is larger than 10 for shocks with Mach number $M=100$, and scales with the square root of $M$. We find that in the shock precursor the energy spectral density of excited magnetic turbulence is proportional to spectral energy distribution of accelerated particles at corresponding resonant momenta, in good agreement with the predictions of quasilinear theory of diffusive shock acceleration. We discuss the role of Bell's instability, which is predicted and found to grow faster than resonant instability in shocks with $M\\gtrsim 30$. Ahead of these strong shocks we distinguis...

  20. Newton-Cartan (super)gravity as a non-relativistic limit

    NARCIS (Netherlands)

    Bergshoeff, Eric; Rosseel, Jan; Zojer, Thomas

    2015-01-01

    We define a procedure that, starting from a relativistic theory of supergravity, leads to a consistent, non-relativistic version thereof. As a first application we use this limiting procedure to show how the Newton-Cartan formulation of non-relativistic gravity can be obtained from general relativit

  1. Local density approximations from finite systems

    CERN Document Server

    Entwistle, Mike; Wetherell, Jack; Longstaff, Bradley; Ramsden, James; Godby, Rex

    2016-01-01

    The local density approximation (LDA) constructed through quantum Monte Carlo calculations of the homogeneous electron gas (HEG) is the most common approximation to the exchange-correlation functional in density functional theory. We introduce an alternative set of LDAs constructed from slab-like systems of one, two and three electrons that resemble the HEG within a finite region, and illustrate the concept in one dimension. Comparing with the exact densities and Kohn-Sham potentials for various test systems, we find that the LDAs give a good account of the self-interaction correction, but are less reliable when correlation is stronger or currents flow.

  2. Holographic energy loss in non-relativistic backgrounds

    CERN Document Server

    Atashi, Mahdi; Farahbodnia, Mitra

    2016-01-01

    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 $\\omega$ in theories with general dynamical exponent $z$ and hyperscaling violation exponent $\\theta$. 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 that how the total energy loss rate depends non-trivially on two characteristic exponents $(z,\\theta)$. We find that at zero temperature there is a special radius $l_c$ where the energy loss is independent of different values of $(z,\\theta)$. Also, 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 discover different behaviors at finite temperature case.

  3. Non-Relativistic Anti-Snyder Model and Some Applications

    CERN Document Server

    Ching, Chee Leong; Ng, Wei Khim

    2016-01-01

    We examine the (2+1)-dimensional Dirac equation in a homogeneous magnetic field under the non-relativistic anti-Snyder model which is relevant to deformed special relativity (DSR) since it exhibits an intrinsic upper bound of the momentum of free particles. After setting up the formalism, exact eigen solutions are derived in momentum space representation and they are expressed in terms of finite orthogonal Romanovski polynomials. There is a finite maximum number of allowable bound states due to the orthogonality of the polynomials and the maximum energy is truncated at the maximum n. Similar to the minimal length case, the degeneracy of the Dirac-Landau levels in anti- Snyder model are modified and there are states that do not exist in the ordinary quantum mechanics limit. By taking zero mass limit, we explore the motion of effective zero mass charged Fermions in Graphene like material and obtained a maximum bound of deformed parameter. Furthermore, we consider the modified energy dispersion relations and its...

  4. Limits on the local dark matter density

    Directory of Open Access Journals (Sweden)

    Read J.I.

    2012-02-01

    Full Text Available We study the systematic problems in determining the local dark matter density ρdm(R☉ from kinematics of stars in the Solar Neighbourhood, using a simulated Milky Way-like galaxy. We introduce a new unbiased method for recovering ρdm(R☉ based on the moments of the Jeans equations, combined with a Monte Carlo Markov Chain (MCMC technique and apply it to real data [1].

  5. Limits on the local dark matter density

    CERN Document Server

    Garbari, Silvia; Lake, George

    2011-01-01

    We revisit systematics in determining the local dark matter density (rho_dm) from the vertical motion of stars in the Solar Neighbourhood. Using a simulation of a Milky Way-like galaxy, we determine the data-quality required to detect the dark matter density at its expected local value. We introduce a new method for recovering rho_dm that uses moments of the Jeans equations, combined with a Monte Carlo Markov Chain technique to marginalise over the unknown parameters. Given sufficiently good data, we show that our method can recover the correct local dark matter density even in the face of disc inhomogeneities, non-isothermal tracers and a non-separable distribution function. We illustrate the power of our technique by applying it to Hipparcos data [Holmberg & Flynn 2000,2004]. We first make the assumption that the A and F star tracer populations are isothermal. This recovers rho_dm=0.003^{+0.009}_{-0.007}Msun/pc^3 (with 90 per cent confidence), consistent with previous determinations. However, the vertic...

  6. Radiation of non-relativistic particle on a conducting sphere and a string of spheres

    CERN Document Server

    Shul'ga, N F; Larikova, E A

    2016-01-01

    The radiation arising under uniform motion of non-relativistic charged particle by (or through) perfectly conducting sphere is considered. The rigorous results are obtained using the method of images known from electrostatics.

  7. Non-relativistic radiation mediated shock breakouts: II. Bolometric properties of SN shock breakout

    CERN Document Server

    Katz, Boaz; Waxman, Eli

    2011-01-01

    Exact bolometric light curves of supernova shock breakouts are derived based on the universal, non relativistic, planar breakout solutions (Sapir et al. 2011), assuming spherical symmetry, constant Thomson scattering opacity, \\kappa, and angular intensity corresponding to the steady state planar limit. These approximations are accurate for progenitors with a scale height much smaller than the radius. The light curves are insensitive to the density profile and are determined by the progenitor radius R, and the breakout velocity and density, v_0 and \\rho_0 respectively, and \\kappa. The total breakout energy, E_BO, and the maximal ejecta velocity, v_max, are shown to be E_BO=8.0\\pi R^2\\kappa^-1cv_0 and v_max=2.0v_0 respectively, to an accuracy of about 10%. The calculated light curves are valid up to the time of transition to spherical expansion, t_sph\\approx R/4v_0. Approximate analytic expressions for the light curves are provided for breakouts in which the shock crossing time at breakout, t_0=c/\\kappa\\rho_0v_...

  8. Relativistic and non-relativistic solitons in plasmas

    Science.gov (United States)

    Barman, Satyendra Nath

    This thesis entitled as "Relativistic and Non-relativistic Solitons in Plasmas" is the embodiment of a number of investigations related to the formation of ion-acoustic solitary waves in plasmas under various physical situations. The whole work of the thesis is devoted to the studies of solitary waves in cold and warm collisionless magnetized or unmagnetized plasmas with or without relativistic effect. To analyze the formation of solitary waves in all our models of plasmas, we have employed two established methods namely - reductive perturbation method to deduce the Korteweg-de Vries (KdV) equation, the solutions of which represent the important but near exact characteristic concepts of soliton-physics. Next, the pseudopotential method to deduce the energy integral with total nonlinearity in the coupling process for exact characteristic results of solitons has been incorporated. In Chapter 1, a brief description of plasma in nature and laboratory and its generation are outlined elegantly. The nonlinear differential equations to characterize solitary waves and the relevant but important methods of solutions have been mentioned in this chapter. The formation of solitary waves in unmagnetized and magnetized plasmas, and in relativistic plasmas has been described through mathematical entity. Applications of plasmas in different fields are also put forwarded briefly showing its importance. The study of plasmas as they naturally occur in the universe encompasses number of topics including sun's corona, solar wind, planetary magnetospheres, ionospheres, auroras, cosmic rays and radiation. The study of space weather to understand the universe, communications and the activities of weather satellites are some useful areas of space plasma physics. The surface cleaning, sterilization of food and medical appliances, killing of bacteria on various surfaces, destroying of viruses, fungi, spores and plasma coating in industrial instruments ( like computers) are some of the fields

  9. Limits on the local dark matter density

    Science.gov (United States)

    Garbari, Silvia; Read, Justin I.; Lake, George

    2011-09-01

    We revisit systematics in determining the local dark matter density ρdm from the vertical motion of stars in the solar neighbourhood. Using a simulation of a Milky Way like galaxy, we determine the data quality required to detect ρdm at its expected local value. We introduce a new method for recovering ρdm that uses moments of the Jeans equations, combined with a Markov chain Monte Carlo technique, to marginalize over the unknown parameters. Given sufficiently good data, we show that our method can recover the correct local dark matter density even in the face of disc inhomogeneities, non-isothermal tracers and a non-separable distribution function. We illustrate the power of our technique by applying it to Hipparcos data. We first make the assumption that the A- and F-star tracer populations are isothermal. This recovers ρdm= 0.003+0.009- 0.007 M⊙ pc-3 (ρdm= 0.11+0.34- 0.27 GeV cm-3, with 90 per cent confidence), consistent with previous determinations. However, the vertical dispersion profile of these tracers is poorly known. If we assume instead a non-isothermal profile similar to that of the blue disc stars from SDSS DR-7 recently measured, we obtain a fit with a very similar χ2 value, but with ρdm= 0.033+0.008- 0.009 M⊙ pc-3 (ρdm= 1.25+0.30- 0.34 GeV cm-3 with 90 per cent confidence). This highlights that it is vital to measure the vertical dispersion profile of the tracers to recover an unbiased estimate of ρdm.

  10. Classical and Non-Relativistic Limits of a Lorentz-Invariant Bohmian Model for a System of Spinless Particles

    CERN Document Server

    Hernandez-Zapata, Sergio; 10.1007/s10701-010-9413-7

    2010-01-01

    A completely Lorentz-invariant Bohmian model has been proposed recently for the case of a system of non-interacting spinless particles, obeying Klein-Gordon equations. It is based on a multi-temporal formalism and on the idea of treating the squared norm of the wave function as a space-time probability density. The particle's configurations evolve in space-time in terms of a parameter {\\sigma}, with dimensions of time. In this work this model is further analyzed and extended to the case of an interaction with an external electromagnetic field. The physical meaning of {\\sigma} is explored. Two special situations are studied in depth: (1) the classical limit, where the Einsteinian Mechanics of Special Relativity is recovered and the parameter {\\sigma} is shown to tend to the particle's proper time; and (2) the non-relativistic limit, where it is obtained a model very similar to the usual non-relativistic Bohmian Mechanics but with the time of the frame of reference replaced by {\\sigma} as the dynamical temporal...

  11. Non-Relativistic Chern-Simons Theories and Three-Dimensional Horava-Lifshitz Gravity

    CERN Document Server

    Hartong, Jelle; Obers, Niels A

    2016-01-01

    We show that certain three-dimensional Horava-Lifshitz gravity theories can be written as Chern-Simons gauge theories on various non-relativistic algebras. The algebras are specific extensions of the Bargmann, Newton-Hooke and Schroedinger algebra each of which has the Galilean algebra as a subalgebra. To show this we employ the fact that Horava-Lifshitz gravity corresponds to dynamical Newton-Cartan geometry. In particular, the extended Bargmann (Newton-Hooke) Chern-Simons theory corresponds to projectable Horava-Lifshitz gravity with a local U(1) gauge symmetry without (with) a cosmological constant. Moreover we identify an extended Schroedinger algebra containing 3 extra generators that are central with respect to the subalgebra of Galilean boosts, momenta and rotations, for which the Chern-Simons theory gives rise to a novel version of non-projectable conformal Horava-Lifshitz gravity that we refer to as Schroedinger gravity. This theory has a z=2 Lifshitz geometry as a vacuum solution and thus provides a...

  12. Dynamics of perturbations in Double Field Theory & non-relativistic string theory

    Energy Technology Data Exchange (ETDEWEB)

    Ko, Sung Moon [Department of Physics, Sogang University,Seoul 121-742 (Korea, Republic of); Melby-Thompson, Charles M. [Kavli Institute for the Physics and Mathematics of the Universe (WPI),The University of Tokyo Institutes for Advanced Study (UTIAS), The University of Tokyo,Kashiwanoha, Kashiwa, 277-8583 (Japan); Department of Physics, Fudan University,220 Handan Road, 200433 Shanghai (China); Meyer, René [Kavli Institute for the Physics and Mathematics of the Universe (WPI),The University of Tokyo Institutes for Advanced Study (UTIAS), The University of Tokyo,Kashiwanoha, Kashiwa, 277-8583 (Japan); Park, Jeong-Hyuck [Department of Physics, Sogang University,Seoul 121-742 (Korea, Republic of)

    2015-12-22

    Double Field Theory provides a geometric framework capable of describing string theory backgrounds that cannot be understood purely in terms of Riemannian geometry — not only globally (‘non-geometry’), but even locally (‘non-Riemannian’). In this work, we show that the non-relativistic closed string theory of Gomis and Ooguri http://dx.doi.org/10.1063/1.1372697 arises precisely as such a non-Riemannian string background, and that the Gomis-Ooguri sigma model is equivalent to the Double Field Theory sigma model of http://dx.doi.org/10.1016/j.nuclphysb.2014.01.003 on this background. We further show that the target-space formulation of Double Field Theory on this non-Riemannian background correctly reproduces the appropriate sector of the Gomis-Ooguri string spectrum. To do this, we develop a general semi-covariant formalism describing perturbations in Double Field Theory. We derive compact expressions for the linearized equations of motion around a generic on-shell background, and construct the corresponding fluctuation Lagrangian in terms of novel completely covariant second order differential operators. We also present a new non-Riemannian solution featuring Schrödinger conformal symmetry.

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

    CERN Document Server

    Geracie, Michael; Roberts, Matthew M

    2016-01-01

    For theories of relativistic matter fields with spin 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.

  14. Modified holographic Ricci dark energy coupled to interacting relativistic and non-relativistic dark matter in the nonflat universe

    CERN Document Server

    Li, En-Kun; Geng, Jin-Ling

    2014-01-01

    The modified holographic Ricci dark energy coupled to interacting relativistic and non-relativistic dark matter is considered in the nonflat Friedmann-Robertson-Walker universe. Through examining the deceleration parameter, one can find that the transition time of the Universe from decelerating to accelerating phase in the interacting holographic Ricci dark energy model is close to that in the $\\Lambda$ cold dark matter model. The evolution of modified holographic Ricci dark energy's state parameter and the evolution of dark matter and dark energy's densities shows that the dark energy holds the dominant position from the near past to the future. By studying the statefinder diagnostic and the evolution of the total pressure, one can find that this model could explain the Universe's transition from the radiation to accelerating expansion stage through the dust stage. According to the $Om$ diagnostic, it is easy to find that when the interaction is weak and the proportion of relativistic dark matter in total da...

  15. Light Fermion Finite Mass Effects in Non-relativistic Bound States

    CERN Document Server

    Eiras, D; Eiras, Dolors; Soto, Joan

    2000-01-01

    We present analytic expressions for the vacuum polarization effects due to a light fermion with finite mass in the binding energy and in the wave function at the origin of QED and (weak coupling) QCD non-relativistic bound states. Applications to exotic atoms, \\Upsilon (1s) and t\\bar{t} production near threshold are briefly discussed.

  16. Bethe ansatz matrix elements as non-relativistic limits of form factors of quantum field theory

    NARCIS (Netherlands)

    Kormos, M.; Mussardo, G.; Pozsgay, B.

    2010-01-01

    We show that the matrix elements of integrable models computed by the algebraic Bethe ansatz (BA) can be put in direct correspondence with the form factors of integrable relativistic field theories. This happens when the S-matrix of a Bethe ansatz model can be regarded as a suitable non-relativistic

  17. On the Theory of Resonances in Non-Relativistic QED and Related Models

    DEFF Research Database (Denmark)

    Abou Salem, Walid K.; Faupin, Jeremy; Froehlich, Juerg;

    We study the mathematical theory of quantum resonances in the standard model of non-relativistic QED and in Nelson's model. In particular, we estimate the survival probability of metastable states corresponding to quantum resonances and relate the resonances to poles of an analytic continuation...

  18. The density field of the local Universe

    Energy Technology Data Exchange (ETDEWEB)

    Saunders, Will (Oxford Univ. (UK). Dept. of Astrophysics Queen Mary and Westfield Coll., London (UK). Astronomy Unit); Frenk, Carlos (Durham Univ. (UK). Dept. of Physics); Rowan-Robinson, Michael (Queen Mary and Westfield Coll., London (UK). Astronomy Unit) (and others)

    1991-01-03

    An all-sky redshift survey of galaxies detected by IRAS (the Infrared Astronomical Satellite) has been used to map the Universe out to 140h{sup -1} Mpc (the Hubble constant H{sub 0} identical to 100h km s{sup -1} Mpc{sup -1}). Well-known superclusters and voids are seen, as are others not previously identified. The inferred underlying distribution of density is found to be skewed to high densities (the voids are larger than the superclusters but depart less from the mean density); and there is more structure on large scales than is predicted by the standard cold dark matter theory of galaxy formation. (author).

  19. "Non-Relativistic" Behavior of Massive Gravity Sources

    CERN Document Server

    Deser, S

    2014-01-01

    We exhibit novel effects (absent in GR) of sources in massive gravity. First, we show that removing its ghost mode forces a field-current identity: The metric's trace is locally proportional to that of its stress tensor; a point source implies a metric singularity enhanced by the square of the graviton's range. Second, exterior solutions acquire spatial stress hair--their metric components depend on the interior T_ij(r). Also, in contrast to naive expectations, the Newtonian potential of a source is now determined by both its interior's spatial stress and mass. Our explicit results are obtained at linear, Fierz-Pauli, level, but ought to persist nonlinearly.

  20. Curved non-relativistic spacetimes, Newtonian gravitation and massive matter

    CERN Document Server

    Geracie, Michael; Roberts, Matthew M

    2015-01-01

    There is significant recent work on coupling matter to Newton-Cartan spacetimes with the aim of investigating certain condensed matter phenomena. To this end, one needs to have a completely general spacetime consistent with local non-relativisitic symmetries which supports massive matter fields. In particular, one can not impose a priori restrictions on the geometric data if one wants to analyze matter response to a perturbed geometry. In this paper we construct such a Bargmann spacetime in complete generality without any prior restrictions on the fields specifying the geometry. The resulting spacetime structure includes the familiar Newton-Cartan structure with an additional gauge field which couples to mass. We illustrate the matter coupling with a few examples. The general spacetime we construct also includes as a special case the covariant description of Newtonian gravity, which has been thoroughly investigated in previous works. We also show how our Bargmann spacetimes arise from a suitable non-relativis...

  1. Theory and Applications of Non-Relativistic and Relativistic Turbulent Reconnection

    CERN Document Server

    Lazarian, A; Takamoto, M; Pino, E M de Gouveia Dal; Cho, J

    2015-01-01

    Realistic astrophysical environments are turbulent due to the extremely high Reynolds numbers. Therefore, the theories of reconnection intended for describing astrophysical reconnection should not ignore the effects of turbulence on magnetic reconnection. Turbulence is known to change the nature of many physical processes dramatically and in this review we claim that magnetic reconnection is not an exception. We stress that not only astrophysical turbulence is ubiquitous, but also magnetic reconnection itself induces turbulence. Thus turbulence must be accounted for in any realistic astrophysical reconnection setup. We argue that due to the similarities of MHD turbulence in relativistic and non-relativistic cases the theory of magnetic reconnection developed for the non-relativistic case can be extended to the relativistic case and we provide numerical simulations that support this conjecture. We also provide quantitative comparisons of the theoretical predictions and results of numerical experiments, includi...

  2. Non-relativistic Limit of Dirac Equations in Gravitational Field and Quantum Effects of Gravity

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Based on unified theory of electromagnetic interactions and gravitational interactions, the non-relativistic limit of the equation of motion of a charged Dirac particle in gravitational field is studied. From the Schrodinger equation obtained from this non-relativistic limit, we can see that the classical Newtonian gravitational potential appears as a part of the potential in the Schrodinger equation, which can explain the gravitational phase effects found in COW experiments.And because of this Newtonian gravitational potential, a quantum particle in the earth's gravitational field may form a gravitationally bound quantized state, which has already been detected in experiments. Three different kinds of phase effects related to gravitational interactions are studied in this paper, and these phase effects should be observable in some astrophysical processes. Besides, there exists direct coupling between gravitomagnetic field and quantum spin, and radiation caused by this coupling can be used to directly determine the gravitomagnetic field on the surface of a star.

  3. Estimates on Functional Integrals of Quantum Mechanics and Non-relativistic Quantum Field Theory

    Science.gov (United States)

    Bley, Gonzalo A.; Thomas, Lawrence E.

    2017-01-01

    We provide a unified method for obtaining upper bounds for certain functional integrals appearing in quantum mechanics and non-relativistic quantum field theory, functionals of the form {E[{exp}(A_T)]} , the (effective) action {A_T} being a function of particle trajectories up to time T. The estimates in turn yield rigorous lower bounds for ground state energies, via the Feynman-Kac formula. The upper bounds are obtained by writing the action for these functional integrals in terms of stochastic integrals. The method is illustrated in familiar quantum mechanical settings: for the hydrogen atom, for a Schrödinger operator with {1/|x|^2} potential with small coupling, and, with a modest adaptation of the method, for the harmonic oscillator. We then present our principal applications of the method, in the settings of non-relativistic quantum field theories for particles moving in a quantized Bose field, including the optical polaron and Nelson models.

  4. A General Quadrature Solution for Relativistic, Non-relativistic, and Weakly-Relativistic Rocket Equations

    CERN Document Server

    Bruce, Adam L

    2015-01-01

    We show the traditional rocket problem, where the ejecta velocity is assumed constant, can be reduced to an integral quadrature of which the completely non-relativistic equation of Tsiolkovsky, as well as the fully relativistic equation derived by Ackeret, are limiting cases. By expanding this quadrature in series, it is shown explicitly how relativistic corrections to the mass ratio equation as the rocket transitions from the Newtonian to the relativistic regime can be represented as products of exponential functions of the rocket velocity, ejecta velocity, and the speed of light. We find that even low order correction products approximate the traditional relativistic equation to a high accuracy in flight regimes up to $0.5c$ while retaining a clear distinction between the non-relativistic base-case and relativistic corrections. We furthermore use the results developed to consider the case where the rocket is not moving relativistically but the ejecta stream is, and where the ejecta stream is massless.

  5. Vortex solutions in axial or chiral coupled non-relativistic spinor- Chern-Simons theory

    CERN Document Server

    Németh, Z A

    1997-01-01

    The interaction of a spin 1/2 particle (described by the non-relativistic "Dirac" equation of Lévy-Leblond) with Chern-Simons gauge fields is studied. It is shown, that similarly to the four dimensional spinor models, there is a consistent possibility of coupling them also by axial or chiral type currents. Static self dual vortex solutions together with a vortex-lattice are found with the new couplings.

  6. Hyperfine splitting of the dressed hydrogen atom ground state in non-relativistic QED

    CERN Document Server

    Amour, L

    2010-01-01

    We consider a spin-1/2 electron and a spin-1/2 nucleus interacting with the quantized electromagnetic field in the standard model of non-relativistic QED. For a fixed total momentum sufficiently small, we study the multiplicity of the ground state of the reduced Hamiltonian. We prove that the coupling between the spins of the charged particles and the electromagnetic field splits the degeneracy of the ground state.

  7. Hyperfine splitting in non-relativistic QED: uniqueness of the dressed hydrogen atom ground state

    CERN Document Server

    Amour, Laurent

    2011-01-01

    We consider a free hydrogen atom composed of a spin-1/2 nucleus and a spin-1/2 electron in the standard model of non-relativistic QED. We study the Pauli-Fierz Hamiltonian associated with this system at a fixed total momentum. For small enough values of the fine-structure constant, we prove that the ground state is unique. This result reflects the hyperfine structure of the hydrogen atom ground state.

  8. Quantization of Interacting Non-Relativistic Open Strings using Extended Objects

    CERN Document Server

    Arias, P J; Fuenmayor, E; Leal, L; Leal, Lorenzo

    2005-01-01

    Non-relativistic charged open strings coupled with Abelian gauge fields are quantized in a geometric representation that generalizes the Loop Representation. The model comprises open-strings interacting through a Kalb-Ramond field in four dimensions. It is shown that a consistent geometric-representation can be built using a scheme of ``surfaces and lines of Faraday'', provided that the coupling constant (the ``charge'' of the string) is quantized.

  9. Einstein's $R^{\\hat{0} \\hat{0}}$ equation for non-relativistic sources derived from Einstein's inertial motion and the Newtonian law for relative acceleration

    CERN Document Server

    ,

    2016-01-01

    With Einstein's inertial motion (free-falling and non-rotating relative to gyroscopes), geodesics for non-relativistic particles can intersect repeatedly, allowing one to compute the space-time curvature $R^{\\hat{0} \\hat{0}}$ exactly. Einstein's $R^{\\hat{0} \\hat{0}}$ for strong gravitational fields and for relativistic source-matter is identical with the Newtonian expression for the relative radial acceleration of neighboring free-falling test-particles, spherically averaged.--- Einstein's field equations follow from Newtonian experiments, local Lorentz-covariance, and energy-momentum conservation combined with the Bianchi identity.

  10. 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.

  11. Isotropic Landau levels of relativistic and non-relativistic fermions in 3D flat space

    Science.gov (United States)

    Li, Yi; Wu, Congjun

    2012-02-01

    The usual Landau level quantization, as demonstrated in the 2D quantum Hall effect, is crucially based on the planar structure. In this talk, we explore its 3D counterpart possessing the full 3D rotational symmetry as well as the time reversal symmetry. We construct the Landau level Hamiltonians in 3 and higher dimensional flat space for both relativistic and non-relativistic fermions. The 3D cases with integer fillings are Z2 topological insulators. The non-relativistic version describes spin-1/2 fermions coupling to the Aharonov-Casher SU(2) gauge field. This system exhibits flat Landau levels in which the orbital angular momentum and the spin are coupled with a fixed helicity. Each filled Landau level contributes one 2D helical Dirac Fermi surface at an open boundary, which demonstrates the Z2 topological nature. A natural generalization to Dirac fermions is found as a square root problem of the above non-relativistic version, which can also be viewed as the Dirac equation defined on the phase space. All these Landau level problems can be generalized to arbitrary high dimensions systematically. [4pt] [1] Yi Li and Congjun Wu, arXiv:1103.5422.[0pt] [2] Yi Li, Ken Intriligator, Yue Yu and Congjun Wu, arXiv:1108.5650.

  12. Non-relativistic Schroedinger theory on q-deformed quantum spaces II, The free non-relativistic particle and its interactions

    CERN Document Server

    Wachter, H

    2007-01-01

    This is the second part of a paper about a q-deformed analog of non-relativistic Schroedinger theory. It applies the general ideas of part I and tries to give a description of one-particle states on q-deformed quantum spaces like the braided line or the q-deformed Euclidean space in three dimensions. Hamiltonian operators for the free q-deformed particle in one as well as three dimensions are introduced. Plane waves as solutions to the corresponding Schroedinger equations are considered. Their completeness and orthonormality relations are written down. Expectation values of position and momentum observables are taken with respect to one-particle states and their time-dependence is discussed. A potential is added to the free-particle Hamiltonians and q-analogs of the Ehrenfest theorem are derived from the Heisenberg equations of motion. The conservation of probability is proved.

  13. Nonlinear dynamics of cold magnetized non-relativistic plasma in the presence of electron-ion collisions

    Energy Technology Data Exchange (ETDEWEB)

    Sahu, Biswajit, E-mail: biswajit-sahu@yahoo.co.in [Department of Mathematics, West Bengal State University, Barasat, Kolkata 700126 (India); Sinha, Anjana, E-mail: sinha.anjana@gmail.com [Department of Instrumentation Science, Jadavpur University, Kolkata 700 032 (India); Roychoudhury, Rajkumar, E-mail: rroychoudhury123@gmail.com [Department of Mathematics, Visva-Bharati, Santiniketan - 731 204, India and Advanced Centre for Nonlinear and Complex Phenomena, 1175 Survey Park, Kolkata 700 075 (India)

    2015-09-15

    A numerical study is presented of the nonlinear dynamics of a magnetized, cold, non-relativistic plasma, in the presence of electron-ion collisions. The ions are considered to be immobile while the electrons move with non-relativistic velocities. The primary interest is to study the effects of the collision parameter, external magnetic field strength, and the initial electromagnetic polarization on the evolution of the plasma system.

  14. Localized density matrix minimization and linear scaling algorithms

    CERN Document Server

    Lai, Rongjie

    2015-01-01

    We propose a convex variational approach to compute localized density matrices for both zero temperature and finite temperature cases, by adding an entry-wise $\\ell_1$ regularization to the free energy of the quantum system. Based on the fact that the density matrix decays exponential away from the diagonal for insulating system or system at finite temperature, the proposed $\\ell_1$ regularized variational method provides a nice way to approximate the original quantum system. We provide theoretical analysis of the approximation behavior and also design convergence guaranteed numerical algorithms based on Bregman iteration. More importantly, the $\\ell_1$ regularized system naturally leads to localized density matrices with banded structure, which enables us to develop approximating algorithms to find the localized density matrices with computation cost linearly dependent on the problem size.

  15. 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.)

  16. Testing the Higgs sector directly in the non-relativistic domain

    CERN Document Server

    Zhang, Zhentao

    2016-01-01

    Directly measuring the Higgs self-coupling is of great importance for testing the Brout-Englert-Higgs mechanism in the Standard Model. As a scattering that contains the direct information from the Higgs self-coupling, we investigate the process $\\mu^-\\mu^+\\rightarrow HH$ in the threshold region. We calculate the one-loop corrections to the cross section and consider the non-perturbative contribution from the Higgs self-interactions in the final state. It is found that the scattering in the non-relativistic domain could be an especial process to testing the Higgs sector directly.

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

    Energy Technology Data Exchange (ETDEWEB)

    Chen Panying, E-mail: pychen@umd.ed [Maryland Center for Fundamental Physics, Department of Physics, University of Maryland, College Park, MD 20742 (United States); Ji Xiangdong [Maryland Center for Fundamental Physics, Department of Physics, University of Maryland, College Park, MD 20742 (United States); Institute of Particle Physics and Cosmology, Department of Physics, Shanghai Jiao Tong University, Shanghai, 200240 (China); Center for High-Energy Physics and Institute of Theoretical Physics, Peking University, Beijing, 100080 (China); Xu Yang [Center for High-Energy Physics and Institute of Theoretical Physics, Peking University, Beijing, 100080 (China); Zhang Yue [Maryland Center for Fundamental Physics, Department of Physics, University of Maryland, College Park, MD 20742 (United States); Center for High-Energy Physics and Institute of Theoretical Physics, Peking University, Beijing, 100080 (China)

    2010-04-26

    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, alpha{sub em}{sup 3}/18pi, which might be measurable in future atomic experiments.

  18. Geometric Representation of Interacting Non-Relativistic Open Strings using Extended Objects

    CERN Document Server

    Arias, P J; Fuenmayor, E; Leal, L

    2013-01-01

    Non-relativistic charged open strings coupled with Abelian gauge fields are quantized in a geometric representation that generalizes the Loop Representation. The model consists of open-strings interacting through a Kalb-Ramond field in four dimensions. The geometric representation proposed uses lines and surfaces that can be interpreted as an extension of the picture of Faraday's lines of classical electromagnetism. This representation results to be consistent, provided the coupling constant (the "charge" of the string) is quantized. The Schr\\"odinger equation in this representation is also presented.

  19. Maxwell-Chern-Simons Models: Their Symmetries, Exact Solutions and Non-relativistic Limits

    Directory of Open Access Journals (Sweden)

    J. Niederle

    2010-01-01

    Full Text Available Two Maxwell-Chern-Simons (MCS models in the (1 + 3-dimensional space-space are discussed and families of their exact solutions are found. In contrast to the Carroll-Field-Jackiw (CFE model [2] these systems are relativistically invariant and include the CFJ model as a particular sector.Using the InNonNu-Wigner contraction a Galilei-invariant non-relativistic limit of the systems is found, which makes possible to find a Galilean formulation of the CFJ model.

  20. Thermal and transport properties of a non-relativistic quantum gas interacting through a delta-shell potential

    CERN Document Server

    Postnikov, Sergey

    2013-01-01

    This work extends the seminal work of Gottfried on the two-body quantum physics of particles interacting through a delta-shell potential to many-body physics by studying a system of non-relativistic particles when the thermal De-Broglie wavelength of a particle is smaller than the range of the potential and the density is such that average distance between particles is smaller than the range. The ability of the delta-shell potential to reproduce some basic properties of the deuteron are examined. Relations for moments of bound states are derived. The virial expansion is used to calculate the first quantum correction to the ideal gas pressure in the form of the second virial coefficient. Additionally, all thermodynamic functions are calculated up to the first order quantum corrections. For small departures from equilibrium, the net flows of mass, energy and momentum, characterized by the coefficients of diffusion, thermal conductivity and shear viscosity, respectively, are calculated. Properties of the gas are...

  1. 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.

  2. Search for non-relativistic Magnetic Monopoles with IceCube

    CERN Document Server

    Aartsen, M G; Ackermann, M; Adams, J; Aguilar, J A; Ahlers, M; Altmann, D; Arguelles, C; Arlen, T C; Auffenberg, J; Bai, X; Baker, M; Barwick, S W; Baum, V; Bay, R; Beatty, J J; Tjus, J Becker; Becker, K -H; Benabderrahmane, M L; BenZvi, S; Berghaus, P; Berley, D; Bernardini, E; Bernhard, A; Besson, D Z; Binder, G; Bindig, D; Bissok, M; Blaufuss, E; Blumenthal, J; Boersma, D J; Bohm, C; Bose, D; Böser, S; Botner, O; Brayeur, L; Bretz, H -P; Brown, A M; Bruijn, R; Casey, J; Casier, M; Chirkin, D; Christov, A; Christy, B; Clark, K; Classen, L; Clevermann, F; Coenders, S; Cohen, S; Cowen, D F; Silva, A H Cruz; Danninger, M; Daughhetee, J; Davis, J C; Day, M; de André, J P A M; De Clercq, C; De Ridder, S; Desiati, P; de Vries, K D; de With, M; DeYoung, T; Díaz-Vélez, J C; Dunkman, M; Eagan, R; Eberhardt, B; Eichmann, B; Eisch, J; Euler, S; Evenson, P A; Fadiran, O; Fazely, A R; Fedynitch, A; Feintzeig, J; Feusels, T; Filimonov, K; Finley, C; Fischer-Wasels, T; Flis, S; Franckowiak, A; Frantzen, K; Fuchs, T; Gaisser, T K; Gallagher, J; Gerhardt, L; Gladstone, L; Glüsenkamp, T; Goldschmidt, A; Golup, G; Gonzalez, J G; Goodman, J A; Góra, D; Grandmont, D T; Grant, D; Gretskov, P; Groh, J C; Groß, A; Ha, C; Haack, C; Ismail, A Haj; Hallen, P; Hallgren, A; Halzen, F; Hanson, K; Hebecker, D; Heereman, D; Heinen, D; Helbing, K; Hellauer, R; Hickford, S; Hill, G C; Hoffman, K D; Hoffmann, R; Homeier, A; Hoshina, K; Huang, F; Huelsnitz, W; Hulth, P O; Hultqvist, K; Hussain, S; Ishihara, A; Jacobi, E; Jacobsen, J; Jagielski, K; Japaridze, G S; Jero, K; Jlelati, O; Kaminsky, B; Kappes, A; Karg, T; Karle, A; Kauer, M; Kelley, J L; Kiryluk, J; Kläs, J; Klein, S R; Köhne, J -H; Kohnen, G; Kolanoski, H; Köpke, L; Kopper, C; Kopper, S; Koskinen, D J; Kowalski, M; Krasberg, M; Kriesten, A; Krings, K; Kroll, G; Kunnen, J; Kurahashi, N; Kuwabara, T; Labare, M; Landsman, H; Larson, M J; Lesiak-Bzdak, M; Leuermann, M; Leute, J; Lünemann, J; Macías, O; Madsen, J; Maggi, G; Maruyama, R; Mase, K; Matis, H S; McNally, F; Meagher, K; Meli, A; Merck, M; Meures, T; Miarecki, S; Middell, E; Milke, N; Miller, J; Mohrmann, L; Montaruli, T; Morse, R; Nahnhauer, R; Naumann, U; Niederhausen, H; Nowicki, S C; Nygren, D R; Obertacke, A; Odrowski, S; Olivas, A; Omairat, A; O'Murchadha, A; Palczewski, T; Paul, L; Pepper, J A; Heros, C Pérez de los; Pfendner, C; Pieloth, D; Pinat, E; Posselt, J; Price, P B; Przybylski, G T; Quinnan, M; Rädel, L; Rameez, M; Rawlins, K; Redl, P; Reimann, R; Resconi, E; Rhode, W; Ribordy, M; Richman, M; Riedel, B; Robertson, S; Rodrigues, J P; Rott, C; Ruhe, T; Ruzybayev, B; Ryckbosch, D; Saba, S M; Sander, H -G; Santander, M; Sarkar, S; Schatto, K; Scheriau, F; Schmidt, T; Schmitz, M; Schoenen, S; Schöneberg, S; Schönwald, A; Schukraft, A; Schulte, L; Schulz, O; Seckel, D; Sestayo, Y; Seunarine, S; Shanidze, R; Sheremata, C; Smith, M W E; Soldin, D; Spiczak, G M; Spiering, C; Stamatikos, M; Stanev, T; Stanisha, N A; Stasik, A; Stezelberger, T; Stokstad, R G; Stößl, A; Strahler, E A; Ström, R; Strotjohann, N L; Sullivan, G W; Taavola, H; Taboada, I; Tamburro, A; Tepe, A; Ter-Antonyan, S; Tešić, G; Tilav, S; Toale, P A; Tobin, M N; Toscano, S; Tselengidou, M; Unger, E; Usner, M; Vallecorsa, S; van Eijndhoven, N; van Santen, J; Vehring, M; Voge, M; Vraeghe, M; Walck, C; Wallraff, M; Weaver, Ch; Wellons, M; Wendt, C; Westerhoff, S; Whelan, B J; Whitehorn, N; Wiebe, K; Wiebusch, C H; Williams, D R; Wissing, H; Wolf, M; Wood, T R; Woschnagg, K; Xu, D L; Xu, X W; Yanez, J P; Yodh, G; Yoshida, S; Zarzhitsky, P; Ziemann, J; Zierke, S; Zoll, M

    2014-01-01

    The IceCube Neutrino Observatory is a large Cherenkov detector instrumenting $1\\,\\mathrm{km}^3$ 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 GUT (Grand Unified Theory) era shortly after the Big Bang. These monopoles may catalyze the decay of nucleons via the Rubakov-Callan effect with a cross section suggested to be in the range of $10^{-27}\\,\\mathrm{cm^2}$ to $10^{-21}\\,\\mathrm{cm^2}$. 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 ...

  3. Simulations and Theory of Ion Injection at Non-relativistic Collisionless Shocks

    Science.gov (United States)

    Caprioli, Damiano; Pop, Ana-Roxana; Spitkovsky, Anatoly

    2015-01-01

    We use kinetic hybrid simulations (kinetic ions-fluid electrons) to characterize the fraction of ions that are accelerated to non-thermal energies at non-relativistic collisionless shocks. We investigate the properties of the shock discontinuity and show that shocks propagating almost along the background magnetic field (quasi-parallel shocks) reform quasi-periodically on ion cyclotron scales. Ions that impinge on the shock when the discontinuity is the steepest are specularly reflected. This is a necessary condition for being injected, but it is not sufficient. Also, by following the trajectories of reflected ions, we calculate the minimum energy needed for injection into diffusive shock acceleration, as a function of the shock inclination. We construct a minimal model that accounts for the ion reflection from quasi-periodic shock barrier, for the fraction of injected ions, and for the ion spectrum throughout the transition from thermal to non-thermal energies. This model captures the physics relevant for ion injection at non-relativistic astrophysical shocks with arbitrary strengths and magnetic inclinations, and represents a crucial ingredient for understanding the diffusive shock acceleration of cosmic rays.

  4. Generation of electric field by spin-currents in the U(1)xSU(2) gauge invariant Pauli-Schroedinger non-relativistic theory

    Energy Technology Data Exchange (ETDEWEB)

    Dartora, C.A., E-mail: cadartora@eletrica.ufpr.b [Electrical Engineering Department, Federal University of Parana (UFPR) (Brazil); Cabrera, G.G., E-mail: cabrera@ifi.unicamp.b [Instituto de Fisica ' Gleb Wataghin' , Universidade Estadual de Campinas (UNICAMP), C.P. 6165, Campinas 13.083-970 SP (Brazil)

    2010-05-31

    The non-relativistic Pauli-Schroedinger theory has a richer gauge structure than usually expected, being invariant under the U(1)xSU(2) gauge group, which allows to define spin-current density vectors and obtains the relevant conserved quantities from Noether's theorem. The electromagnetic fields E and B play the role of the gauge potentials for the SU(2) sector of the gauge group and can possibly contribute with a corresponding invariant curvature self-energy term in the Lagrangian density. From the dynamics of the U(1) and SU(2) gauge fields we show that electric fields can be induced by spin-currents originated from the SU(2) gauge symmetry.

  5. The local density of optical states of a metasurface

    NARCIS (Netherlands)

    Lunnemann, P.; Koenderink, A.F.

    2016-01-01

    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,

  6. Galactoseismology and the Local Density of Dark Matter

    Energy Technology Data Exchange (ETDEWEB)

    Banik, Nilanjan [Florida U.; Widrow, Lawrence M. [Queen' s U., Kingston; Dodelson, Scott [Fermilab

    2016-08-10

    We model vertical breathing mode perturbations in the Milky Way's stellar disc and study their effects on estimates of the local dark matter density, surface density, and vertical force. Evidence for these perturbations, which involve compression and expansion of the Galactic disc perpendicular to its midplane, come from the SEGUE, RAVE, and LAMOST surveys. We show that their existence may lead to systematic errors of $10\\%$ or greater in the vertical force $K_z(z)$ at $|z|=1.1\\,{\\rm kpc}$. These errors translate to $\\gtrsim 25\\%$ errors in estimates of the local dark matter density. Using different mono-abundant subpopulations as tracers offers a way out: if the inferences from all tracers in the Gaia era agree, then the dark matter determination will be robust. Disagreement in the inferences from different tracers will signal the breakdown of the unperturbed model and perhaps provide the means for determining the nature of the perturbation.

  7. Galactoseismology and the Local Density of Dark Matter

    CERN Document Server

    Banik, Nilanjan; Dodelson, Scott

    2016-01-01

    We model vertical breathing mode perturbations in the Milky Way's stellar disc and study their effects on estimates of the local dark matter density, surface density, and vertical force. Evidence for these perturbations, which involve compression and expansion of the Galactic disc perpendicular to its midplane, come from the SEGUE, RAVE, and LAMOST surveys. We show that their existence may lead to systematic errors of $10\\%$ or greater in the vertical force $K_z(z)$ at $|z|=1.1\\,{\\rm kpc}$. These errors translate to $\\gtrsim 25\\%$ errors in estimates of the local dark matter density. Using different mono-abundant subpopulations as tracers offers a way out: if the inferences from all tracers in the Gaia era agree, then the dark matter determination will be robust. Disagreement in the inferences from different tracers will signal the breakdown of the unperturbed model and perhaps provide the means for determining the nature of the perturbation.

  8. 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

  9. Ultra high energy cosmic rays from non-relativistic quasar outflows

    CERN Document Server

    Wang, Xiawei

    2016-01-01

    It has been suggested that non-relativistic outflows from quasars can naturally account for the missing component of the extragalactic $\\gamma$-ray background and explain the cumulative neutrino background through pion decay in collisions between protons accelerated by the outflow shock and interstellar protons. Here we show that the same quasar outflows are capable of accelerating protons to energies of $\\sim 10^{20}$ eV during the early phase of their propagation. The overall quasar population is expected to produce a cumulative ultra high energy cosmic ray flux of $\\sim10^{-7}\\,\\rm GeV\\,cm^{-2}s^{-1}sr^{-1}$ at $E_{\\rm CR}\\gtrsim10^{18}$ eV. The spectral shape and amplitude is consistent with recent observations for outflow parameters constrained to fit secondary $\\gamma$-rays and neutrinos without any additional parameter tuning. This indicates that quasar outflows simultaneously account for all three messengers at their observed levels.

  10. Non relativistic limit of the Landau-Lifshitz equation: A new equation

    Science.gov (United States)

    Ares de Parga, G.; Domínguez-Hernández, S.; Salinas-Hernández, E.

    2016-06-01

    It is shown that Ford equation is not adequate in general to describe the motion of a charged particle including the reaction force in the non relativistic limit. As in General Relativity where a post-Newtonian method is developed in order to describe the gravitational effects at low velocities and small energies, an extra term inherited from Special Relativity must be added to the Ford equation. This is due to that the new term is greater than the reaction force in many physical situations. The Coulombic case is analyzed showing the necessity of including the new term. Comparison with General Relativity results is analyzed. The Vlasov equation to first order in 1 /c2 is proposed for the constant electric and magnetic fields.

  11. On the Infrared Problem for the Dressed Non-Relativistic Electron in a Magnetic Field

    CERN Document Server

    Amour, Laurent; Grebert, Benoit; Guillot, Jean-Claude

    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 we consider the reduced Hamiltonian $H(P_3)$ associated with the total momentum $P_3$ along the $x_3$-axis. 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 $P_3 \\mapsto E'(P_3)$ is the derivative of the map $P_3 \\mapsto E(P_3) = \\inf \\sigma (H(P_3))$. If $E'(P_3) \

  12. Failure of relativistic codes in the non-relativistic limit: the role of Brillouin configurations

    CERN Document Server

    Indelicato, P J; Desclaux, J P

    2004-01-01

    In the present letter we solve a long standing problem with relativistic calculations done with the widely used Multi-Configuration Dirac-Fock Method. We show, using Relativistic Many-Body Perturbation Theory (RMBPT), how even for relatively high-$Z$, relaxation or correlation causes the non-relativistic limit of states of different total angular momentum but identical orbital angular momentum to have different energies. We identify the role of single excitations obeying to Brillouin's theorem in this problem. We show that with large scale calculations in which this problem is properly treated, we can reproduce very accurately recent high-precision measurements in F-like Ar, and turn then into precise test of QED

  13. Investigation of Properties of Exotic Nuclei in Non-relativistic and Relativistic Models

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Properties of exotic nuclei are described by non-relativistic and relativistic models. The relativistic mean field theory predicts one proton halo in 26,27,28P and two proton halos in 27,28,29S, recently, one proton halo in 26,27,28P has been found experimentally in MSU lab. The relativistic Hartree-Fock theory has been used to investigate the contribution of Fock term and isovector mesons to the properties of exotic nuclei. It turns out that the influence of the Fock term and isovector mesons on the properties of neutron extremely rich nuclei is very different from that of near stable nuclei. Meanwhile, the deformed Hartree-Fock-Bogoliubov theory has been employed to describe the ground state properties of the isotopes for some light nuclei.

  14. Virial Theorem for Non-relativistic Quantum Fields in D Spatial Dimensions

    CERN Document Server

    Lin, Chris L

    2015-01-01

    The virial theorem for non-relativistic complex fields in $D$ spatial dimensions and with arbitrary many-body potential is derived, using path-integral methods and scaling arguments recently developed to analyze quantum anomalies in lower-dimensional systems. The potential appearance of a Jacobian $J$ due to a change of variables in the path-integral expression for the partition function of the system is pointed out, although in order to make contact with the literature most of the analysis deals with the $J=1$ case. The virial theorem is recast into a form that displays the effect of microscopic scales on the thermodynamics of the system. From the point of view of this paper the case usually considered, $J=1$, is not natural, and the generalization to the case $J\

  15. Non-relativistic Schroedinger theory on q-deformed quantum spaces III, Scattering theory

    CERN Document Server

    Wachter, H

    2007-01-01

    This is the third part of a paper about non-relativistic Schroedinger theory on q-deformed quantum spaces like the braided line or the three-dimensional q-deformed Euclidean space. Propagators for the free q-deformed particle are derived and their basic properties are discussed. A time-dependent formulation of scattering is proposed. In this respect, q-analogs of the Lippmann-Schwinger equation are given. Expressions for their iterative solutions are written down. It is shown how to calculate S-matrices and transition probabilities. Furthermore, attention is focused on the question what becomes of unitarity of S-matrices in a q-deformed setting. The examinations are concluded by a discussion of the interaction picture and its relation to scattering processes.

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

    CERN Document Server

    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 study color superconducting phase of the light quark system.

  17. 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....

  18. Wave Localization and Density Bunching in Pair Ion Plasmas

    CERN Document Server

    Mahajan, Swadesh M

    2008-01-01

    By investigating the nonlinear propagation of high intensity electromagnetic (EM) waves in a pair ion plasma, whose symmetry is broken via contamination by a small fraction of high mass immobile ions, it is shown that this new and interesting state of (laboratory created) matter is capable of supporting structures that strongly localize and bunch the EM radiation with density excess in the region of localization. Testing of this prediction in controlled laboratory experiments can lend credence, inter alia, to conjectures on structure formation (via the same mechanism) in the MEV era of the early universe.

  19. Beyond the local density approximation : improving density functional theory for high energy density physics applications.

    Energy Technology Data Exchange (ETDEWEB)

    Mattsson, Ann Elisabet; Modine, Normand Arthur; Desjarlais, Michael Paul; Muller, Richard Partain; Sears, Mark P.; Wright, Alan Francis

    2006-11-01

    A finite temperature version of 'exact-exchange' density functional theory (EXX) has been implemented in Sandia's Socorro code. The method uses the optimized effective potential (OEP) formalism and an efficient gradient-based iterative minimization of the energy. The derivation of the gradient is based on the density matrix, simplifying the extension to finite temperatures. A stand-alone all-electron exact-exchange capability has been developed for testing exact exchange and compatible correlation functionals on small systems. Calculations of eigenvalues for the helium atom, beryllium atom, and the hydrogen molecule are reported, showing excellent agreement with highly converged quantumMonte Carlo calculations. Several approaches to the generation of pseudopotentials for use in EXX calculations have been examined and are discussed. The difficult problem of finding a correlation functional compatible with EXX has been studied and some initial findings are reported.

  20. The Structure of the Local Interstellar Medium V: Electron Densities

    CERN Document Server

    Redfield, Seth

    2008-01-01

    We present a comprehensive survey of CII* absorption detections toward stars within 100 pc in order to measure the distribution of electron densities present in the local interstellar medium (LISM). Using high spectral resolution observations of nearby stars obtained by GHRS and STIS onboard the Hubble Space Telescope, we identify 13 sight lines with 23 individual CII* absorption components, which provide electron density measurements, the vast majority of which are new. We employ several strategies to determine more accurate CII column densities from the saturated CII resonance line, including, constraints of the line width from the optically thin CII* line, constraints from independent temperature measurements of the LISM gas based on line widths of other ions, and third, using measured SII column densities as a proxy for CII column densities. The sample of electron densities appears consistent with a log-normal distribution and an unweighted mean value of n_e(CII_SII) = 0.11^+0.10_-0.05 cm^-3. Seven indivi...

  1. 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.

  2. The local density of optical states of a metasurface

    CERN Document Server

    Lunnemann, Per

    2016-01-01

    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 point-dipole 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 expect...

  3. Low energy scattering parameters from the solutions of the non-relativistic Yukawa model on a 3-dimensional lattice

    CERN Document Server

    De Soto, F

    2006-01-01

    The numerical solutions of the non-relativistic Yukawa model on a 3-dimensional size lattice with periodic boundary conditions are obtained. The possibility to extract the corresponding -- infinite space -- low energy parameters and bound state binding energies from eigensates computed at finite lattice size is discussed.

  4. Galactoseismology and the local density of dark matter

    Science.gov (United States)

    Banik, Nilanjan; Widrow, Lawrence M.; Dodelson, Scott

    2017-02-01

    We model vertical breathing mode perturbations in the Milky Way's stellar disc and study their effects on estimates of the local dark matter density, surface density, and vertical force. Evidence for these perturbations, which involve compression and expansion of the Galactic disc perpendicular to the mid-plane, comes from three different surveys of stellar kinematics within a few kiloparsecs of the Sun. We show that their existence may lead to systematic errors of 10 per cent or greater in the vertical force Kz(z) at |z| = 1.1 kpc. These errors translate to ≳ 25 per cent errors in estimates of the local dark matter density. Using different mono-abundant subpopulations as tracers offers a way out: if the inferences from all tracers in the Gaia era agree, then the dark matter determination will be robust. Disagreement in the inferences from different tracers will signal the breakdown of the unperturbed model and perhaps provide the means for determining the nature of the perturbation.

  5. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Goncalves, Bruno; Dias Junior, Mario Marcio [Instituto Federal de Educacacao, Ciencia e Tecnologia Sudeste de Minas Gerais, Juiz de Fora, MG (Brazil)

    2013-07-01

    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{sub 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{sub 0} is constant and is the unique non-vanishing term of S{sub 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)

  7. Effects of high-order operators in non-relativistic Lifshitz holography

    CERN Document Server

    Wang, Xinwen; Tian, Miao; Wang, Anzhong; Deng, Yanbin; Cleaver, Gerald

    2014-01-01

    In this paper, we study the effects of high-order operators on the non-relativistic Lifshitz holography in the framework of the Ho\\v{r}ava-Lifshitz (HL) theory of gravity, which naturally contains high-order operators in order for the theory to be power-counting renormalizble, and provides an ideal place to study these effects. In particular, we show that the Lifshitz space-time is still a solution of the full theory of the HL gravity. The effects of the high-oder operators on the space-time itself is simply to shift the Lifshitz dynamical exponent. However, while in the infrared the asymptotic behavior of a (probe) scalar field near the boundary is similar to that studied in the literature, it gets dramatically modified in the UV limit, because of the presence of the high-order operators in this regime. Then, according to the gauge/gravity duality, this in turn affects the two-point correlation functions.

  8. Continuity properties of the semi-group and its integral kernel in non-relativistic QED

    Science.gov (United States)

    Matte, Oliver

    2016-07-01

    Employing recent results on stochastic differential equations associated with the standard model of non-relativistic quantum electrodynamics by B. Güneysu, J. S. Møller, and the present author, we study the continuity of the corresponding semi-group between weighted vector-valued Lp-spaces, continuity properties of elements in the range of the semi-group, and the pointwise continuity of an operator-valued semi-group kernel. We further discuss the continuous dependence of the semi-group and its integral kernel on model parameters. All these results are obtained for Kato decomposable electrostatic potentials and the actual assumptions on the model are general enough to cover the Nelson model as well. As a corollary, we obtain some new pointwise exponential decay and continuity results on elements of low-energetic spectral subspaces of atoms or molecules that also take spin into account. In a simpler situation where spin is neglected, we explain how to verify the joint continuity of positive ground state eigenvectors with respect to spatial coordinates and model parameters. There are no smallness assumptions imposed on any model parameter.

  9. Quantum Exact Non-Abelian Vortices in Non-relativistic Theories

    CERN Document Server

    Nitta, Muneto; Vinci, Walter

    2014-01-01

    Non-Abelian vortices arise when a non-Abelian global symmetry is exact in the ground state but spontaneously broken in the vicinity of their cores. In this case, there appear (non-Abelian) Nambu-Goldstone (NG) modes confined and propagating along the vortex. In relativistic theories, the Coleman-Mermin-Wagner theorem forbids the existence of a spontaneous symmetry breaking, or a long-range order, in 1+1 dimensions: quantum corrections restore the symmetry along the vortex and the NG modes acquire a mass gap. We show that in non-relativistic theories NG modes with quadratic dispersion relation confined on a vortex can remain gapless at quantum level. We provide a concrete and experimentally realizable example of a three-component Bose-Einstein condensate with U(1) x U(2) symmetry. We first show, at the classical level, the existence of S^3 = S^1 |x S^2 (S^1 fibered over S^2) NG modes associated to the breaking U(2) -> U(1) on vortices, where S^1 and S^2 correspond to type I and II NG modes, respectively. We th...

  10. Accurate determination of the free-free Gaunt factor; I - non-relativistic Gaunt factors

    CERN Document Server

    van Hoof, P A M; Volk, K; Chatzikos, M; Ferland, G J; Lykins, M; Porter, R L; Wang, Y

    2014-01-01

    Modern spectral synthesis codes need the thermally averaged free-free Gaunt factor defined over a very wide range of parameter space in order to produce an accurate prediction for the spectrum emitted by an ionized plasma. Until now no set of data exists that would meet this need in a fully satisfactory way. We have therefore undertaken to produce a table of very accurate non-relativistic Gaunt factors over a much wider range of parameters than has ever been produced before. We first produced a table of non-averaged Gaunt factors, covering the parameter space log10(epsilon_i) = -20 to +10 and log10(w) = -30 to +25. We then continued to produce a table of thermally averaged Gaunt factors covering the parameter space log10(gamma^2) = -6 to +10 and log10(u) = -16 to +13. Finally we produced a table of the frequency integrated Gaunt factor covering the parameter space log10(gamma^2) = -6 to +10. All the data presented in this paper are available online.

  11. 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.

  12. Simulations of ion acceleration at non-relativistic shocks: i) Acceleration efficiency

    CERN Document Server

    Caprioli, Damiano

    2013-01-01

    We use 2D and 3D hybrid (kinetic ions - fluid electrons) simulations to investigate particle acceleration and magnetic field amplification at non-relativistic astrophysical shocks. We show that diffusive shock acceleration operates for quasi-parallel configurations (i.e., when the background magnetic field is almost aligned with the shock normal) and, for large sonic and Alfv\\'enic Mach numbers, produces universal power-law spectra proportional to p^(-4), where p is the particle momentum. The maximum energy of accelerated ions increases with time, and it is only limited by finite box size and run time. Acceleration is mainly efficient for parallel and quasi-parallel strong shocks, where 10-20% of the bulk kinetic energy can be converted to energetic particles, and becomes ineffective for quasi-perpendicular shocks. Also, the generation of magnetic turbulence correlates with efficient ion acceleration, and vanishes for quasi-perpendicular configurations. At very oblique shocks, ions can be accelerated via shoc...

  13. ``Pheudo-cyclotron'' radiation of non-relativistic particles in small-scale magnetic turbulence

    Science.gov (United States)

    Keenan, Brett; Ford, Alex; Medvedev, Mikhail V.

    2014-03-01

    Plasma turbulence in some astrophysical objects (e.g., weakly magnetized collisionless shocks in GRBs and SN) has small-scale magnetic field fluctuations. We study spectral characteristics of radiation produced by particles moving in such turbulence. It was shown earlier that relativistic particles produce jitter radiation, which spectral characteristics are markedly different from synchrotron radiation. Here we study radiation produced by non-relativistic particles. In the case of a homogeneous fields, such radiation is cyclotron and its spectrum consists of just a single harmonic at the cyclotron frequency. However, in the sub-Larmor-scale turbulence, the radiation spectrum is much reacher and reflects statistical properties of the underlying magnetic field. We present both analytical estimates and results of ab initio numerical simulations. We also show that particle propagation in such turbulence is diffusive and evaluate the diffusion coefficient. We demonstrate that the diffusion coefficient correlates with some spectral parameters. These results can be very valuable for remote diagnostics of laboratory and astrophysical plasmas. Supported by grant DOE grant DE-FG02-07ER54940 and NSF grant AST-1209665.

  14. Building a Dispersion Relation Solver for Hot Plasmas with Arbitrary Non-relativistic Parallel Velocity Distributions

    Science.gov (United States)

    Fu, X.; Waters, T.; Gary, S. P.

    2014-12-01

    Collisionless space plasmas often deviate from Maxwellian-like velocity distributions. To study kinetic waves and instabilities in such plasmas, the dispersion relation, which depends on the velocity distribution, needs to be solved numerically. Most current dispersion solvers (e.g. WHAMP) take advantage of mathematical properties of the Gaussian (or generalized Lorentzian) function, and assume that the velocity distributions can be modeled by a combination of several drift-Maxwellian (or drift-Lorentzian) components. In this study we are developing a kinetic dispersion solver that admits nearly arbitrary non-relativistic parallel velocity distributions. A key part of any dispersion solver is the evaluation of a Hilbert transform of the velocity distribution function and its derivative along Landau contours. Our new solver builds upon a recent method to compute the Hilbert transform accurately and efficiently using the fast Fourier transform, while simultaneously treating the singularities arising from resonances analytically. We have benchmarked our new solver against other codes dealing with Maxwellian distributions. As an example usage of our code, we will show results for several instabilities that occur for electron velocity distributions observed in the solar wind.

  15. The LC resonance probe for determining local plasma density

    Energy Technology Data Exchange (ETDEWEB)

    Boris, D R; Fernsler, R F; Walton, S G, E-mail: david.boris.ctr@nrl.navy.mi [Naval Research Laboratory, Charge Particle Physics Branch-Code 6752, Plasma Physics Division, 4555 Overlook Ave. SW, Washington, DC 20375 (United States)

    2011-04-15

    We present a novel plasma diagnostic for measuring local plasma density in reactive-gas plasmas, and depositing plasmas. The diagnostic uses a network analyzer to measure the LC resonance (LCR) frequency of a parallel plate capacitor with inductive leads. The location of the LCR ({omega}{sub R}) in frequency space is then used as a measure of the plasma dielectric constant bold varepsilon{sub p} between the plates. By properly constructing the LCR probe, {omega}{sub R} can be tuned such that {omega}{sub R} >> {omega}{sub ce}, where {omega}{sub ce} is the electron-cyclotron frequency. Thus, the probe can be used in plasmas with varying degrees of magnetization while avoiding complications introduced to bold varepsilon{sub p} when {omega} is comparable to {omega}{sub ce}. Density measurements from the LCR probe are compared with Langmuir probe measurements in an electron-beam generated plasma in which density varied from 10{sup 9} to 10{sup 11} cm{sup -3}. An axial magnetic field, typically used to confine the electron beam, was varied between 0 to 300 G. The LCR probe showed good agreement with a Langmuir probe across the entire range of magnetic fields.

  16. Global and local curvature in density functional theory

    Science.gov (United States)

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

    2016-08-01

    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.

  17. Pair 2-electron reduced density matrix theory using localized orbitals

    Science.gov (United States)

    Head-Marsden, Kade; Mazziotti, David A.

    2017-08-01

    Full configuration interaction (FCI) restricted to a pairing space yields size-extensive correlation energies but its cost scales exponentially with molecular size. Restricting the variational two-electron reduced-density-matrix (2-RDM) method to represent the same pairing space yields an accurate lower bound to the pair FCI energy at a mean-field-like computational scaling of O (r3) where r is the number of orbitals. In this paper, we show that localized molecular orbitals can be employed to generate an efficient, approximately size-extensive pair 2-RDM method. The use of localized orbitals eliminates the substantial cost of optimizing iteratively the orbitals defining the pairing space without compromising accuracy. In contrast to the localized orbitals, the use of canonical Hartree-Fock molecular orbitals is shown to be both inaccurate and non-size-extensive. The pair 2-RDM has the flexibility to describe the spectra of one-electron RDM occupation numbers from all quantum states that are invariant to time-reversal symmetry. Applications are made to hydrogen chains and their dissociation, n-acene from naphthalene through octacene, and cadmium telluride 2-, 3-, and 4-unit polymers. For the hydrogen chains, the pair 2-RDM method recovers the majority of the energy obtained from similar calculations that iteratively optimize the orbitals. The localized-orbital pair 2-RDM method with its mean-field-like computational scaling and its ability to describe multi-reference correlation has important applications to a range of strongly correlated phenomena in chemistry and physics.

  18. AdS and dS black hole solutions in analogue gravity: The relativistic and non-relativistic cases

    CERN Document Server

    Dey, Ramit; Turcati, Rodrigo

    2016-01-01

    We show that Schwarzschild black hole solutions in asymptotically Anti-de Sitter (AdS) and de Sitter (dS) spaces may, up to a conformal factor, be reproduced in the framework of analogue gravity. The aforementioned derivation is performed using relativistic and non-relativistic Bose-Einstein condensates. In addition, we demonstrate that the (2+1) planar AdS black hole can be mapped into the non-relativistic acoustic metric. Given that AdS black holes are extensively employed in the gauge/gravity duality, we then comment on the possibility to study the AdS/CFT correspondence and gravity/fluid duality from an analogue gravity perspective.

  19. The local density of optical states of a metasurface

    DEFF Research Database (Denmark)

    Hansen, Per Lunnemann; Koenderink, A. Femius

    2016-01-01

    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......-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...

  20. Non-relativistic Nambu-Goldstone modes associated with spontaneously broken space-time and internal symmetries

    CERN Document Server

    Kobayashi, Michikazu

    2014-01-01

    We show that a momentum operator of a translational symmetry may not commute with an internal symmetry operator in the presence of a topological soliton in non-relativistic theories. As a striking consequence, there appears a coupled Nambu-Goldstone mode with a quadratic dispersion consisting of translational and internal zero modes in the vicinity of a domain wall in an O(3) sigma model, a magnetic domain wall in ferromagnets with an easy axis.

  1. Duality in the non-relativistic harmonic oscillator quark model in the Shifman-Voloshin limit a pedagogical example

    CERN Document Server

    Le Yaouanc, A; Morénas, V; Oliver, L; Pène, O; Raynal, J C

    2000-01-01

    The detailed way in which duality between sum of exclusive states and the free quark model description operates in semileptonic total decay widths, is analysed. It is made very explicit by the use of the non relativistic harmonic oscillator quark model in the SV limit, and a simple interaction current with the lepton pair. In particular, the Voloshin sum rule is found to eliminate the mismatches of order $\\delta m/m_b^2$.

  2. Is a non-relativist post-modernism possible? The attempts of William Dean and Wentzel van Huyssteen

    Directory of Open Access Journals (Sweden)

    J. A. Stone

    1993-01-01

    Full Text Available This paper aims at creating a third option to foundationalism and relativism. It criticizes William Dean’s historicist radical empiricism for going too far toward a relativ ist deconstructionism, and Wentzel van Huyss teen’s critical realism for not leaving modernism. Both, however, succeed in creating a third option. This paper examines their respective contributions to a non relativist, reconstructionist post-modernism.

  3. Non-relativistic pair annihilation of nearly mass degenerate neutralinos and charginos I. General framework and S-wave annihilation

    OpenAIRE

    Beneke, M.; Hellmann, C.; Ruiz-Femenia, P.

    2012-01-01

    We compute analytically the tree-level annihilation rates of a collection of non-relativistic neutralino and chargino two-particle states in the general MSSM, including the previously unknown off-diagonal rates. The results are prerequisites to the calculation of the Sommerfeld enhancement in the MSSM, which will be presented in subsequent work. They can also be used to obtain concise analytic expressions for MSSM dark matter pair annihilation in the present Universe for a large number of exc...

  4. Proposal for verifying Wigner's rotation with massive spin-$1/2$ particles at non-relativistic speeds

    OpenAIRE

    Palge, Veiko; Dunningham, Jacob; Hasegawa, Yuji

    2016-01-01

    In quantum physics Wigner's rotation is commonly regarded as confirmed by the Thomas precession in a hydrogen like atom. In this paper we show that a direct experimental verification of Wigner's rotation is in principle accessible in the regime of non-relativistic velocities at $2 \\cdot 10^3\\,$m/s and propose an experiment using thermal neutrons. The experiment can be carried out in a laboratory and it provides a test of relativity in the quantum domain.

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

    Energy Technology Data Exchange (ETDEWEB)

    Schroer, Bert

    2006-04-15

    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)

  6. Non-relativistic radiation mediated shock breakouts: III. Spectral properties of SN shock breakout

    CERN Document Server

    Sapir, Nir; Waxman, Eli

    2013-01-01

    The spectrum of radiation emitted following shock breakout from a star's surface with a power-law density profile $\\rho \\propto x^n$ is investigated. Assuming planar geometry, local Compton equilibrium and bremsstrahlung emission as the dominant photon production mechanism, numerical solutions are obtained for the photon number density and temperature profiles as a function of time, for hydrogen-helium envelopes. The temperature solutions are determined by the breakout shock velocity $v_0$ and the pre-shock breakout density $\\rho_0$, and depend weakly on the value of n. Fitting formulas for the peak surface temperature at breakout as a function of $v_0$ and $\\rho_0$ are provided, with $T_{peak}\\approx 9.44\\exp{[12.63(v_0/c)^{1/2}]}$ eV, and the time dependence of the surface temperature is tabulated. The time integrated emitted spectrum is a robust prediction of the model, determined by $\\mathcal{T}_{\\rm peak}$ and $v_0$ alone and insensitive to details of light travel time or slight deviations from spherical...

  7. FOREWORD: Proceedings of the Adriatico Conference on Vacuum in Non-Relativistic Matter-Radiation Systems

    Science.gov (United States)

    Persico, Franco; Power, Edwin A.

    1988-01-01

    The physics of the electromagnetic vacuum, its fluctuations and its role in spontaneous emission has been studied since the early days of the quantum theory of radiation. In recent years there has been a renewed interest in the nature of the vacuum state and its potency in giving rise to observable effects. For example the question of amplification of photon signals and the way vacuum fluctuations may provide inescapable noise is fundamental to the theory of measurement. Quantum electrodynamics in cavities has become a very active area of research both experimentally and theoretically and the way the radiation field, even in vacuo, is changed by confinement is of interest and importance. The effective Einstein A-coefficient can be much smaller than in free space because the available modes are sparser in a cavity. Radiative connections such as the Lamb shift energies are also changed as the virtual photon modes are varied by the confinement. The existence of electromagnetic field energy (from the vacuum fluctuations) in the neighbourhood of atoms/molecules in their ground state is demonstrated by its effect on test molecules brought into the vicinity of the original sources. All the forces analogous to that of Van der Waals, including of course their Casimir retardations at long range, are explicable in terms of these virtual cloud effects. The Adriatico Conference on "Vacuum in Non-Relativistic Matter-Radiation Systems" held in July 1987 brought together scientists in quantum optics, quantum field theorists and others interested in the electromagnetic vacuum. It was most successful in that the participants found enough mutual agreement but with clearly defined tensions between them to provide excitement and argument throughout the four days' meeting. This volume consists of most of the papers presented at the conference. It is clear that the collection ranges from the pedagogical and the review type article to research papers with original material. The

  8. Stability and non-relativistic limits of rarefaction wave to the 1-D piston problem for the relativistic Euler equations

    Science.gov (United States)

    Ding, Min; Li, Yachun

    2017-04-01

    We study the 1-D piston problem for the relativistic Euler equations under the assumption that the total variations of both the initial data and the velocity of the piston are sufficiently small. By a modified wave front tracking method, we establish the global existence of entropy solutions including a strong rarefaction wave without restriction on the strength. Meanwhile, we consider the convergence of the entropy solutions to the corresponding entropy solutions of the classical non-relativistic Euler equations as the light speed c→ +∞.

  9. Superfluid LDA (SLDA): Local Density Approximation for Systems with Superfluid Correlations

    CERN Document Server

    Bulgac, A; Bulgac, Aurel; Yu, Yongle

    2004-01-01

    We present a concise account of our development of the first genuine Local Density Approximation (LDA) to the Energy Density Functional (EDF) for fermionic systems with superfluid correlations, with a particular emphasis to nuclear systems.

  10. 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.

  11. Low energy scattering parameters from the solutions of the non-relativistic Yukawa model on a 3-dimensional lattice

    Energy Technology Data Exchange (ETDEWEB)

    Soto, F. de [Laboratoire Physique Subatomique et Cosmologie, 53 av. des Martyrs, 38026 Grenoble (France)]|[Dpto. Sistemas Fisicos, Quimicos y Naturales, U. Pablo de Olavide, 41013 Sevilla (Spain); Carbonell, J. [Laboratoire Physique Subatomique et Cosmologie, 53 av. des Martyrs, 38026 Grenoble (France)

    2007-04-15

    The numerical solutions of the non-relativistic Yukawa model on a 3-dimensional size lattice with periodic boundary conditions are obtained. The possibility to extract the corresponding - infinite space - low energy parameters and bound state binding energies from eigenstates computed at finite lattice size is discussed. The results have been obtained with a non relativistic model, which is justified by the small energies involved in the calculations. Despite its simplicity, the model considered contains an essential ingredient of the hadron-hadron interaction - its finite range - which plays a relevant role in view of extracting the low energy parameters from the finite volume spectra. It offers a wieldy and physically sound tool to test the validity of the different approaches discussed in the literature to study the low energy scattering of baryon-baryon or meson-baryon systems from a lattice simulations in QCD. The results presented in this work have been essentially limited to the ground state of central attractive interactions, depending only on one parameter. The method can be easily applied to more involved interactions, like hard core repulsive terms or non central potentials leading to coupled channel equations. (authors)

  12. PREDICTION OF MAXIMUM DRY DENSITY OF LOCAL GRANULAR ...

    African Journals Online (AJOL)

    methods. A test on a soil of relatively high solid density revealed that the developed relation looses ... where, Pd max is the laboratory maximum dry ... Addis-Jinima Road Rehabilitation. ..... data sets that differ considerably in the magnitude.

  13. A relationship between the weighted density approximation and the local-scaling transformation version of density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Diez, Reinaldo Pis [CEQUINOR, Centro de Quimica Inorganica (CONICET, UNLP), Departamento de Quimica, Facultad de Ciencias Exactas, UNLP CC 962, B1900AVV La Plata (Argentina); Karasiev, Valentin V [Centro de Qimica, Instituto Venezolano de Investigaciones Cientificas, IVIC, Apartado 21827, Caracas 1020-A (Venezuela)

    2003-07-14

    A relationship between the auxiliary density, {rho}(r), defined within the framework of the weighted density approximation and the kinetic energy modulating factor, A{sub N}([{rho}(r)]; r), which appears in the local-scaling transformation version of density functional theory is presented. This relationship imposes the condition of positiveness on the kinetic energy modulating factor and this, in turn, leads to an important mathematical condition on any approximate kinetic energy density functional. It is shown that two well-known approximate kinetic energy density functionals do not satisfy the above relationship at distances very close to the nucleus. By forcing a given approximate kinetic energy density functional to obey the above condition, both the kinetic and exchange energies can be obtained within a framework similar to that of the weighted density approximation. Results on some closed-shell atomic systems provide support for those ideas.

  14. Charge Exchange Effect on Space-Charge-Limited Current Densities in Ion Diode

    Institute of Scientific and Technical Information of China (English)

    石磊

    2002-01-01

    The article theoretically studied the charge-exchange effects on space charge limited electron and ion current densities of non-relativistic one-dimensional slab ion diode, and compared with those of without charge exchange.

  15. Dynamics of localized particles from density functional theory

    Science.gov (United States)

    Reinhardt, J.; Brader, J. M.

    2012-01-01

    A fundamental assumption of the dynamical density functional theory (DDFT) of colloidal systems is that a grand-canonical free-energy functional may be employed to generate the thermodynamic driving forces. Using one-dimensional hard rods as a model system, we analyze the validity of this key assumption and show that unphysical self-interactions of the tagged particle density fields, arising from coupling to a particle reservoir, are responsible for the excessively fast relaxation predicted by the theory. Moreover, our findings suggest that even employing a canonical functional would not lead to an improvement for many-particle systems, if only the total density is considered. We present several possible schemes to suppress these effects by incorporating tagged densities. When applied to confined systems, we demonstrate, using a simple example, that DDFT necessarily leads to delocalized tagged particle density distributions, which do not respect the fundamental geometrical constraints apparent in Brownian dynamics simulation data. The implication of these results for possible applications of DDFT to treat the glass transition are discussed.

  16. Dissecting the roles of local packing density and longer-range effects in protein sequence evolution

    CERN Document Server

    Shahmoradi, Amir

    2015-01-01

    What are the structural determinants of protein sequence evolution? A number of site-specific structural characteristics have been proposed, most of which are broadly related to either the density of contacts or the solvent accessibility of individual residues. Most importantly, there has been disagreement in the literature over the relative importance of solvent accessibility and local packing density for explaining site-specific sequence variability in proteins. We show here that this discussion has been confounded by the definition of local packing density. The most commonly used measures of local packing, such as the contact number and the weighted contact number, represent by definition the combined effects of local packing density and longer-range effects. As an alternative, we here propose a truly local measure of packing density around a single residue, based on the Voronoi cell volume. We show that the Voronoi cell volume, when calculated relative to the geometric center of amino-acid side chains, be...

  17. 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...

  18. Local space density and formation rate of planetary nebulae

    NARCIS (Netherlands)

    Pottasch, [No Value

    1996-01-01

    Individual distances of 50 nearby planetary nebulae are determined using a variety of methods, but excluding statistical methods or distance scales. These distances, together with a discussion of the sample completeness, are used to determine local PN formation rate. Together with the brightness of

  19. Non-relativistic pair annihilation of nearly mass degenerate neutralinos and charginos III. Computation of the Sommerfeld enhancements

    CERN Document Server

    Beneke, M; Ruiz-Femenia, P

    2014-01-01

    This paper concludes the presentation of the non-relativistic effective field theory formalism designed to calculate the radiative corrections that enhance the pair-annihilation cross sections of slowly moving neutralinos and charginos within the general minimal supersymmetric standard model (MSSM). While papers I and II focused on the computation of the tree-level annihilation rates that feed into the short-distance part, here we describe in detail the method to obtain the Sommerfeld factors that contain the enhanced long-distance corrections. This includes the computation of the potential interactions in the MSSM, which are provided in compact analytic form, and a novel solution of the multi-state Schr\\"odinger equation that is free from the numerical instabilities generated by large mass splittings between the scattering states. Our results allow for a precise computation of the MSSM neutralino dark matter relic abundance and pair-annihilation rates in the present Universe, when Sommerfeld enhancements are...

  20. Non-relativistic particle higher-order harmonic radiation based short-wavelength laser and the operation stability

    Institute of Scientific and Technical Information of China (English)

    LUO Xiao-hua; WU Mu-ying; HE Wei; SHAO Ming-zhu; LUO Shi-yu

    2011-01-01

    Under classical mechanics, the general equation of particle motion in the periodic field is derived. In the dampless case, the existence possibility of the higher-order harmonic radiation is explored by using Bessel function expansion of a generalized trigonometrical function and the multi-scale method. In the damping case, the critical properties and a chaotic behavior are discussed by the Melnikov method. The results show that the use of a higher-order harmonic radiation of non-relativistic particles as a short-wavelength laser source is perfectly possible, and the system's critical condition is related to its parameters. Only by adjusting parameters suitablely, the stable higher-order harmonic radiation with bigger intensity can be obtained.

  1. Non-relativistic Schroedinger theory on q-deformed quantum spaces I, Mathematical framework and equations of motion

    CERN Document Server

    Wachter, H

    2007-01-01

    The aim of these three papers (I, II, and III) is to develop a q-deformed version of non-relativistic Schroedinger theory. Paper I introduces the fundamental mathematical and physical concepts. The braided line and the three-dimensional q-deformed Euclidean space play the role of position space. For both cases the algebraic framework is extended by a time element. A short review of the elements of q-deformed analysis on the spaces under consideration is given. The time evolution operator is introduced in a consistent way and its basic properties are discussed. These reasonings are continued by proposing q-deformed analogs of the Schroedinger and the Heisenberg picture.

  2. Collisional interactions between self-interacting non-relativistic boson stars: effective potential analysis and numerical simulations

    CERN Document Server

    Cotner, Eric

    2016-01-01

    Scalar particles are a common prediction of many beyond the Standard Model theories. If they are light and cold enough, there is a possibility they may form Bose-Einstein condensates, which will then become gravitationally bound. These boson stars are solitonic solutions to the Einstein-Klein-Gordon equations, but may be approximated in the non-relativistic regime with a coupled Schr\\"odinger-Poisson system. General properties of single soliton states are derived, including the possibility of quartic self-interactions. Binary collisions between two solitons are then studied, and the effects of different mass ratios, relative phases, self-couplings, and separation distances are characterized, leading to an easy conceptual understanding of how these parameters affect the collision outcome in terms of conservation of energy. Applications to dark matter are discussed.

  3. Effect of temperature anisotropy on various modes and instabilities for a magnetized non-relativistic bi-Maxwellian plasma

    CERN Document Server

    Bashir, M F

    2012-01-01

    Using kinetic theory for homogeneous collisionless magnetized plasmas, we present an extended review of the plasma waves and instabilities and discuss the anisotropic response of generalized relativistic dielectric tensor and Onsager symmetry properties for arbitrary distribution functions. In general, we observe that for such plasmas only those electromagnetic modes whose magnetic field perturbations are perpendicular to the ambient magneticeld, i.e.,B1 \\perp B0, are effected by the anisotropy. However, in oblique propagation all modes do show such anisotropic effects. Considering the non-relativistic bi-Maxwellian distribution and studying the relevant components of the general dielectric tensor under appropriate conditions, we derive the dispersion relations for various modes and instabilities. We show that only the electromagnetic R- and L- waves, those derived from them and the O-mode are affected by thermal anisotropies, since they satisfy the required condition B1\\perpB0. By contrast, the perpendicular...

  4. Advancing Fog Effect on VRML and X3D Using Local Fog Density

    Institute of Scientific and Technical Information of China (English)

    Seongah Chin

    2004-01-01

    In this paper an improved fog effect algorithm in VRML and X3 D is presented with respect to expressing density. The fundamental idea in the approach is to adapt local fog density having influence on Iocal regions with various grades of fog density whereas existing VRML and X3 D only make use of global fog effect. Several filters for making different fog density are presented along with experiments showing the correctness of the proposed method.

  5. Local densities connect spatial ecology to game, multilevel selection and inclusive fitness theories of cooperation.

    Science.gov (United States)

    Tekwa, Edward W; Gonzalez, Andrew; Loreau, Michel

    2015-09-07

    Cooperation plays a crucial role in many aspects of biology. We use the spatial ecological metrics of local densities to measure and model cooperative interactions. While local densities can be found as technical details in current theories, we aim to establish them as central to an approach that describes spatial effects in the evolution of cooperation. A resulting local interaction model neatly partitions various spatial and non-spatial selection mechanisms. Furthermore, local densities are shown to be fundamental for important metrics of game theory, multilevel selection theory and inclusive fitness theory. The corresponding metrics include structure coefficients, spatial variance, contextual covariance, relatedness, and inbreeding coefficient or F-statistics. Local densities serve as the basis of an emergent spatial theory that draws from and brings unity to multiple theories of cooperation.

  6. Adaptive partitioning by local density-peaks: An efficient density-based clustering algorithm for analyzing molecular dynamics trajectories.

    Science.gov (United States)

    Liu, Song; Zhu, Lizhe; Sheong, Fu Kit; Wang, Wei; Huang, Xuhui

    2017-01-30

    We present an efficient density-based adaptive-resolution clustering method APLoD for analyzing large-scale molecular dynamics (MD) trajectories. APLoD performs the k-nearest-neighbors search to estimate the density of MD conformations in a local fashion, which can group MD conformations in the same high-density region into a cluster. APLoD greatly improves the popular density peaks algorithm by reducing the running time and the memory usage by 2-3 orders of magnitude for systems ranging from alanine dipeptide to a 370-residue Maltose-binding protein. In addition, we demonstrate that APLoD can produce clusters with various sizes that are adaptive to the underlying density (i.e., larger clusters at low-density regions, while smaller clusters at high-density regions), which is a clear advantage over other popular clustering algorithms including k-centers and k-medoids. We anticipate that APLoD can be widely applied to split ultra-large MD datasets containing millions of conformations for subsequent construction of Markov State Models. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  7. The many facets of the (non relativistic) Nuclear Equation of State

    CERN Document Server

    Giuliani, G; Bonasera, A

    2013-01-01

    A nucleus is a quantum many body system made of strongly interacting Fermions, protons and neutrons (nucleons). This produces a rich Nuclear Equation of State whose knowledge is crucial to our understanding of the composition and evolution of celestial objects. The nuclear equation of state displays many different features; first neutrons and protons might be treated as identical particles or nucleons, but when the differences between protons and neutrons are spelled out, we can have completely different scenarios, just by changing slightly their interactions. At zero temperature and for neutron rich matter, a quantum liquid gas phase transition at low densities or a quark-gluon plasma at high densities might occur. Furthermore, the large binding energy of the $\\alpha$ particle, a Boson, might also open the possibility of studying a system made of a mixture of Bosons and Fermions, which adds to the open problems of the nuclear equation of state.

  8. Baroclinic pressure gradient difference schemes of subtracting the local averaged density stratification in sigma coordinates models

    Institute of Scientific and Technical Information of China (English)

    ZHU Shouxian; ZHANG Wenjing

    2008-01-01

    Much has been written of the error in computing the baroclinic pressure gradient (BPG) with sigma coordinates in ocean or atmos- pheric numerical models. The usual way to reduce the error is to subtract area-averaged density stratification of the whole computa- tion region. But if there is great difference between the area-averaged and the local averaged density stratification, the error will be obvious. An example is given to show that the error from this method may be larger than that from no correction sometimes. The definition of local area is put forward. Then, four improved BPG difference schemes of subtracting the local averaged density strat- ification are designed to reduce the error. Two of them are for diagnostic calculation (density field is fixed), and the others are for prognostic calculation (density field is not fixed). The results show that the errors from these schemes all significantly decrease.

  9. Non-relativistic radiation mediated shock breakouts: I. Exact bolometric planar breakout solutions

    CERN Document Server

    Sapir, Nir; Waxman, Eli

    2011-01-01

    The problem of a non-steady planar radiation mediated shock (RMS) breaking out from a surface with a power-law density profile, \\rho\\propto x^n, is numerically solved in the approximation of diffusion with constant opacity. For an appropriate choice of time, length and energy scales, determined by the breakout opacity, velocity and density, the solution is universal, i.e. depends only on the density power law index n. The resulting luminosity depends weakly on the value of n. An approximate analytic solution, based on the self-similar hydrodynamic solutions and on the steady RMS solutions, is constructed and shown to agree with the numerical solutions as long as the shock is far from the surface, \\tau>> c/v_{sh}. Approximate analytic expressions, calibrated based on the exact solutions, are provided, that describe the escaping luminosity as a function of time. These results can be used to calculate the bolometric properties of the bursts of radiation produced during supernova (SN) shock breakouts. For complet...

  10. High-density localization of active molecules using Structured Sparse Model and Bayesian Information Criterion.

    Science.gov (United States)

    Quan, Tingwei; Zhu, Hongyu; Liu, Xiaomao; Liu, Yongfeng; Ding, Jiuping; Zeng, Shaoqun; Huang, Zhen-Li

    2011-08-29

    Localization-based super-resolution microscopy (or called localization microscopy) rely on repeated imaging and localization of active molecules, and the spatial resolution enhancement of localization microscopy is built upon the sacrifice of its temporal resolution. Developing algorithms for high-density localization of active molecules is a promising approach to increase the speed of localization microscopy. Here we present a new algorithm called SSM_BIC for such purpose. The SSM_BIC combines the advantages of the Structured Sparse Model (SSM) and the Bayesian Information Criterion (BIC). Through simulation and experimental studies, we evaluate systematically the performance between the SSM_BIC and the conventional Sparse algorithm in high-density localization of active molecules. We show that the SSM_BIC is superior in processing single molecule images with weak signal embedded in strong background.

  11. Generation of localized magnetic moments in the charge-density-wave state

    OpenAIRE

    Akzyanov, R. S.; Rozhkov, A. V.

    2014-01-01

    We propose a mechanism explaining the generation of localized magnetic moments in charge-density-wave compounds. Our model Hamiltonian describes an Anderson impurity placed in a host material exhibiting the charge-density wave. There is a region of the model's parameter space, where even weak Coulomb repulsion on the impurity site is able to localize the magnetic moment on the impurity. The phase diagram of a single impurity at T=0 is mapped. To establish the connection with experiment thermo...

  12. 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....

  13. Direct mapping of local redox current density on a monolith electrode by laser scanning.

    Science.gov (United States)

    Lee, Seung-Woo; Lopez, Jeffrey; Saraf, Ravi F

    2013-09-15

    An optical method of mapping local redox reaction over a monolith electrode using simple laser scanning is described. As the optical signal is linearly proportional to the maximum redox current that is measured concomitantly by voltammetry, the optical signal quantitatively maps the local redox current density distribution. The method is demonstrated on two types of reactions: (1) a reversible reaction where the redox moieties are ionic, and (2) an irreversible reaction on two different types of enzymes immobilized on the electrode where the reaction moieties are nonionic. To demonstrate the scanning capability, the local redox behavior on a "V-shaped" electrode is studied where the local length scale and, hence, the local current density, is nonuniform. The ability to measure the current density distribution by this method will pave the way for multianalyte analysis on a monolith electrode using a standard three-electrode configuration. The method is called Scanning Electrometer for Electrical Double-layer (SEED).

  14. Local virial theorems and closed-orbit theory for spatial density oscillations in fermionic systems

    CERN Document Server

    Roccia, J; Koch, A; Murthy, M V N

    2009-01-01

    We investigate the particle and kinetic energy densities for a system of $N$ fermions confined in a local mean-field potential $V({\\bf r})$. For spherical harmonic oscillators in arbitrary dimensions, exact linear relations between kinetic and potential energy density, termed "local virial theorems", and some exact (integro-) differential equations for the particle density have been earlier derived. Here we use a recently developed semiclassical theory for density oscillations [J. Roccia and M. Brack, Phys. Rev. Lett. {\\bf 100}, 200408 (2008)] to generalize these theorems to arbitrary potentials and test their validity for various anharmonic potentials. We also discuss the relevance of our results for density functional theory. We show, in particular, that the Thomas-Fermi functional for a suitably defined kinetic energy density reproduces the quantum shell oscillations correctly to leading order in the oscillating parts.

  15. 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)

  16. Local density of optical states of an asymmetric waveguide grating at photonic band gap resonant wavelength

    Science.gov (United States)

    Alatas, Husin; Sumaryada, Tony I.; Ahmad, Faozan

    2015-01-01

    We have investigated the characteristics of local density of optical states (LDOS) at photonic band gap resonant wavelength of an asymmetric waveguide grating based on Green's function formulation. It is found that the LDOS of the considered structure exhibits different characteristics in its localization between the upper and lower resonant wavelengths of the corresponding photonic band gap edges.

  17. Metal-insulator transition and local moment formation: A spin-density functional approach

    Science.gov (United States)

    Ghazali, A.; Leroux-Hugon, P.

    1980-01-01

    A more thorough description of the metal-insulator transition in correlated systems including local moment formation may be achieved through the spin-density functional method when compared to the Hubbard model. We have applied this method to doped semiconductors and found a transition between an insulating phase with local moments and a metallic one without moments.

  18. Non-Local Density Functional Description of Poly-Para-Phenylene Vinylene

    Institute of Scientific and Technical Information of China (English)

    ZHENG Guang; Clark S. J.; Brand S.; Abram R. A.

    2007-01-01

    A fully non-local exchange-correlation formalism within the framework of density functional theory, known as the weighted density approximation (WDA), has been applied to the conjugated polymer poly-para-phenylene vinylene (PPV) and is shown to lead to a marked improvement in the agreement of theory and experiment for the electronic band structure of the conjugated polymer. In particular, some new model WDA functions are developed, which substantially increase the electronic band gap of the polymer relative to those obtained with the local density approximation and generalized gradient approximation. The calculated band gap of PPV is quantitatively or at 1east semiquantitatively in agreement with the experimental data.

  19. Infinite matter properties and zero-range limit of non-relativistic finite-range interactions

    Science.gov (United States)

    Davesne, D.; Becker, P.; Pastore, A.; Navarro, J.

    2016-12-01

    We discuss some infinite matter properties of two finite-range interactions widely used for nuclear structure calculations, namely Gogny and M3Y interactions. We show that some useful informations can be deduced for the central, tensor and spin-orbit terms from the spin-isospin channels and the partial wave decomposition of the symmetric nuclear matter equation of state. We show in particular that the central part of the Gogny interaction should benefit from the introduction of a third Gaussian and the tensor parameters of both interactions can be deduced from special combinations of partial waves. We also discuss the fact that the spin-orbit of the M3Y interaction is not compatible with local gauge invariance. Finally, we show that the zero-range limit of both families of interactions coincides with the specific form of the zero-range Skyrme interaction extended to higher momentum orders and we emphasize from this analogy its benefits.

  20. Infinite matter properties and zero-range limit of non-relativistic finite-range interactions

    Energy Technology Data Exchange (ETDEWEB)

    Davesne, D. [Université de Lyon, Université Lyon 1, CNRS/IN2P3, Institut de Physique Nucléaire de Lyon, UMR 5822, F-69622 Villeurbanne cedex (France); Becker, P., E-mail: pbecker@ipnl.in2p3.fr [Université de Lyon, Université Lyon 1, CNRS/IN2P3, Institut de Physique Nucléaire de Lyon, UMR 5822, F-69622 Villeurbanne cedex (France); Pastore, A. [Department of Physics, University of York, Heslington, York, Y010 5DD (United Kingdom); Navarro, J. [IFIC (CSIC-Universidad de Valencia), Apartado Postal 22085, E-46.071-Valencia (Spain)

    2016-12-15

    We discuss some infinite matter properties of two finite-range interactions widely used for nuclear structure calculations, namely Gogny and M3Y interactions. We show that some useful informations can be deduced for the central, tensor and spin–orbit terms from the spin–isospin channels and the partial wave decomposition of the symmetric nuclear matter equation of state. We show in particular that the central part of the Gogny interaction should benefit from the introduction of a third Gaussian and the tensor parameters of both interactions can be deduced from special combinations of partial waves. We also discuss the fact that the spin–orbit of the M3Y interaction is not compatible with local gauge invariance. Finally, we show that the zero-range limit of both families of interactions coincides with the specific form of the zero-range Skyrme interaction extended to higher momentum orders and we emphasize from this analogy its benefits.

  1. 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.

  2. Modulating toroidal flow stabilization of edge localized modes with plasma density

    CERN Document Server

    Cheng, Shikui; Banerjee, Debabrata

    2016-01-01

    Recent EAST experiments have demonstrated mitigation and suppression of edge localized modes (ELMs) with toroidal rotation flow in higher collisionality regime, suggesting potential roles of plasma density. In this work, the effects of plasma density on the toroidal flow stabilization of the high-$n$ edge localized modes have been extensively studied in linear calculations for a circular-shaped limiter H-mode tokamak, using the extended MHD code NIMROD. In the single MHD model, toroidal flow has a weak stabilizing effects on the high-$n$ modes. Such a stabilization, however, can be significantly enhanced with the increase in plasma density. Furthermore, our calculations show that the enhanced stabilization of high-$n$ modes from toroidal flow with higher edge plasma density persists in the 2-fluid MHD model. These findings may explain the ELM mitigation and suppression by toroidal rotation in higher collisionality regime due to the enhancement of plasma density obtained in recent EAST experiments.

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

    Science.gov (United States)

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

    2015-12-28

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Franco-Pérez, Marco, E-mail: francopj@mcmaster.ca, E-mail: ayers@mcmaster.ca, E-mail: jlgm@xanum.uam.mx, E-mail: avela@cinvestav.mx [Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario L8S 4M1 (Canada); Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, México, D.F. 09340 (Mexico); Ayers, Paul W., E-mail: francopj@mcmaster.ca, E-mail: ayers@mcmaster.ca, E-mail: jlgm@xanum.uam.mx, E-mail: avela@cinvestav.mx [Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario L8S 4M1 (Canada); Gázquez, José L., E-mail: francopj@mcmaster.ca, E-mail: ayers@mcmaster.ca, E-mail: jlgm@xanum.uam.mx, E-mail: avela@cinvestav.mx [Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, México, D.F. 09340 (Mexico); Vela, Alberto, E-mail: francopj@mcmaster.ca, E-mail: ayers@mcmaster.ca, E-mail: jlgm@xanum.uam.mx, E-mail: avela@cinvestav.mx [Departamento de Química, Centro de Investigación y de Estudios Avanzados (Cinvestav), Av. Instituto Politécnico Nacional 2508, México, D.F. 07360 (Mexico)

    2015-12-28

    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.

  5. The Environments of Local Luminous Infrared Galaxies: Star Formation Rates increase with Density

    CERN Document Server

    Tekola, Abiy G; Berlind, Andreas

    2011-01-01

    This work studies the environments and star formation relationships of local luminous infrared galaxies (LIRG) in comparison to other types of local and distant z~1 galaxies. The infrared (IR) galaxies are drawn from the IRAS sample. The density of the environment is quantified using 6dF and Point Source Catalogue redshift survey (PSCz) galaxies in a cylinder of 2 Mpc radius and 10 Mpc length. Our most important result shows the existence of a dramatic density difference between local LIRGs and local non-LIRG IR galaxies. LIRGs live in denser environments than non-LIRG IR galaxies implying that L_IR = 10^11 L_sun marks an important transition point among IR-selected local galaxies. We also find that there is a strong correlation between the densities around LIRGs and their L_IR luminosity. On the other hand, the IR-activity of non-LIRG IR galaxies does not show any dependence on environment. Moreover, it is noted that the star formation rate and density around LIRGs are correlated. This trend in local LIRGs i...

  6. Non-relativistic contributions in order $\\alpha^5m_\\mu c^2$ to the Lamb shift in muonic hydrogen, deuterium and helium ion

    CERN Document Server

    Karshenboim, S G; Korzinin, E Yu; Shelyuto, V A

    2010-01-01

    Contributions to the energy levels in light muonic atoms and, in particular, to the Lamb shift fall into a few well-distinguished classes. The related diagrams are calculated using different approaches. In particular, there is a specific kind of non-relativistic contributions. Here we consider such corrections to the Lamb shift in order $\\alpha^5m_\\mu$. These contributions are due to free vacuum polarization loops as well as to various effects of light-by-light scattering. The closed loop in the related diagrams is an electronic one, which allows a non-relativistic consideration of the muon. Both kinds of contributions have been known for a while, however, the results obtained up to date are only partial ones. We complete a calculation of the $\\alpha^5m_\\mu$ contributions for muonic hydrogen. The results are also adjusted for muonic deuterium and muonic helium ion.

  7. Dissecting the roles of local packing density and longer-range effects in protein sequence evolution.

    Science.gov (United States)

    Shahmoradi, Amir; Wilke, Claus O

    2016-06-01

    What are the structural determinants of protein sequence evolution? A number of site-specific structural characteristics have been proposed, most of which are broadly related to either the density of contacts or the solvent accessibility of individual residues. Most importantly, there has been disagreement in the literature over the relative importance of solvent accessibility and local packing density for explaining site-specific sequence variability in proteins. We show that this discussion has been confounded by the definition of local packing density. The most commonly used measures of local packing, such as contact number and the weighted contact number, represent the combined effects of local packing density and longer-range effects. As an alternative, we propose a truly local measure of packing density around a single residue, based on the Voronoi cell volume. We show that the Voronoi cell volume, when calculated relative to the geometric center of amino-acid side chains, behaves nearly identically to the relative solvent accessibility, and each individually can explain, on average, approximately 34% of the site-specific variation in evolutionary rate in a data set of 209 enzymes. An additional 10% of variation can be explained by nonlocal effects that are captured in the weighted contact number. Consequently, evolutionary variation at a site is determined by the combined effects of the immediate amino-acid neighbors of that site and effects mediated by more distant amino acids. We conclude that instead of contrasting solvent accessibility and local packing density, future research should emphasize on the relative importance of immediate contacts and longer-range effects on evolutionary variation. Proteins 2016; 84:841-854. © 2016 Wiley Periodicals, Inc.

  8. The relation between star formation, morphology and local density in high redshift clusters and groups

    CERN Document Server

    Poggianti, Bianca M; Finn, Rose; Bamford, Steven; De Lucia, Gabriella; Varela, Jesus; Aragon-Salamanca, Alfonso; Halliday, Claire; Noll, Stefan; Saglia, Roberto; Zaritsky, Dennis; Best, Philip; Clowe, Douglas; Milvang-Jensen, Bo; Jablonka, Pascale; Pello, Roser; Rudnick, Gregory; Simard, Luc; von der Linden, Anja; White, Simon

    2008-01-01

    We investigate how the [OII] properties and the morphologies of galaxies in clusters and groups at z=0.4-0.8 depend on projected local galaxy density, and compare with the field at similar redshifts and clusters at low-z. In both nearby and distant clusters, higher-density regions contain proportionally fewer star-forming galaxies, and the average [OII] equivalent width of star-forming galaxies is independent of local density. However, in distant clusters the average current star formation rate (SFR) in star-forming galaxies seems to peak at densities ~15-40 galaxies Mpc^{-2}. At odds with low-z results, at high-z the relation between star-forming fraction and local density varies from high- to low-mass clusters. Overall, our results suggest that at high-z the current star formation (SF) activity in star-forming galaxies does not depend strongly on global or local environment, though the possible SFR peak seems at odds with this conclusion. We find that the cluster SFR normalized by cluster mass anticorrelate...

  9. Distribution of local density of states in superstatistical random matrix theory

    Energy Technology Data Exchange (ETDEWEB)

    Abul-Magd, A.Y. [Department of Mathematics, Faculty of Science, Zagazig University, Zagazig (Egypt)]. E-mail: a_y_abul_magd@hotmail.com

    2007-07-02

    We expose an interesting connection between the distribution of local spectral density of states arising in the theory of disordered systems and the notion of superstatistics introduced by Beck and Cohen and recently incorporated in random matrix theory. The latter represents the matrix-element joint probability density function as an average of the corresponding quantity in the standard random-matrix theory over a distribution of level densities. We show that this distribution is in reasonable agreement with the numerical calculation for a disordered wire, which suggests to use the results of theory of disordered conductors in estimating the parameter distribution of the superstatistical random-matrix ensemble.

  10. 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.

  11. 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

  12. Forster transfer and the local optical density of states in erbium-doped silica

    NARCIS (Netherlands)

    de Dood, MJA; Knoester, J; Tip, A; Polman, A

    2005-01-01

    dOptically excited erbium ions incorporated near the surface of a silica glass decay by spontaneous emission and-at high Er concentration-via Forster energy transfer to quenching sites. By externally modifying the photonic microstructure we vary the local optical density of states (LDOS) in samples

  13. Anisotropic behavior and inhomogeneity of atomic local densities of states in graphene with vacancy groups

    Directory of Open Access Journals (Sweden)

    V.V. Eremenko

    2016-06-01

    Full Text Available The electron local density of states (LDOS are calculated for graphene with isolated vacancies, divacancies and vacancy group of four nearest-neighbor vacancies. A strong anisotropy of behavior of LDOS near Fermi level is demonstrated for atoms near defect. Effect of next-to-nearest neighbor interaction on the properties of graphene with vacancies is established.

  14. 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 manipula

  15. 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

  16. Controlling fluorescent proteins by manipulating the local density of photonic states

    NARCIS (Netherlands)

    Blum, Christian; Cesa, Yanina; Broek, van den Johanna M.; Mosk, Allard P.; Subramaniam, Vinod; Vos, Willem L.; Campagnola, Paul J.; Stelzer, Ernst H.K.; Bally, von Gert

    2009-01-01

    We present the first demonstration of control of the emission lifetime of a biological emitter by manipulating the local density of optical states (LDOS). LDOS control is achieved by positioning the emitters at defined distances from a metallic mirror. This results in a characteristic oscillation in

  17. 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.

  18. 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...

  19. 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.

  20. Green's Dyadic, Spectral Function, Local Density of States, and Fluctuation Dissipation Theorem

    CERN Document Server

    Chew, W C; Dai, Q I

    2015-01-01

    The spectral functions are studied in conjunction with the dyadic Green's functions for various media. The dyadic Green's functions are found using the eigenfunction expansion method for homogeneous, inhomogeneous, periodic, lossless, lossy, and anisotropic media, guided by the Bloch- Floquet theorem. For the lossless media cases, the spectral functions can be directly related to the photon local density of states, and hence, to the electromagnetic energy density. For the lossy case, the spectral function can be related to the ?eld correlation function. Because of these properties, one can derive properties for ?eld correlations and the Langevin-source correlations without resorting to the uctuation dissipation theorem. The results are corroborated by the uctuation dissipation theorem. An expression for the local density of states for lossy, inhomogeneous, and dispersive media has also been suggested.

  1. Measurement of local current density of all-vanadium redox flow batteries

    Science.gov (United States)

    Hsieh, Wen-Yen; Leu, Chih-Hsing; Wu, Chun-Hsing; Chen, Yong-Song

    2014-12-01

    This article presents a preliminary study of the measurement of local current density in all-vanadium redox flow batteries. Two batteries are designed and manufactured in this study, and the experimental results are compared. In the first cell, the current collector is divided into 25 segments, and the flow field plate is not segmented, whereas in the other cell, the flow field plate is segmented. The effects of the electrolyte flow rate on the battery efficiencies and the local current density variation are investigated. The experimental results show that the current density near the outlet significantly decreases when the discharge capacity approaches zero. In addition, the battery has a larger discharge depth at a higher electrolyte flow rate.

  2. 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.

  3. Local gene density predicts the spatial position of genetic loci in the interphase nucleus.

    Science.gov (United States)

    Murmann, Andrea E; Gao, Juntao; Encinosa, Marissa; Gautier, Mathieu; Peter, Marcus E; Eils, Roland; Lichter, Peter; Rowley, Janet D

    2005-11-15

    Specific chromosomal translocations are hallmarks of many human leukemias. The basis for these translocation events is poorly understood, but it has been assumed that spatial positioning of genes in the nucleus of hematopoietic cells is a contributing factor. Analysis of the nuclear 3D position of the gene MLL, frequently involved in chromosomal translocations and five of its translocation partners (AF4, AF6, AF9, ENL and ELL), and two control loci revealed a characteristic radial distribution pattern in all hematopoietic cells studied. Genes in areas of high local gene density were found positioned towards the nuclear center, whereas genes in regions of low gene density were detected closer to the nuclear periphery. The gene density within a 2 Mbp window was found to be a better predictor for the relative positioning of a genomic locus within the cell nucleus than the gene density of entire chromosomes. Analysis of the position of MLL, AF4, AF6 and AF9 in cell lines carrying chromosomal translocations involving these genes revealed that the position of the normal genes was different from that of the fusion genes, and this was again consistent with the changes in local gene density within a 2 Mbp window. Thus, alterations in gene density directly at translocation junctions could explain the change in the position of affected genes in leukemia cells.

  4. Symmetry-broken local-density approximation for one-dimensional systems

    CERN Document Server

    Rogers, Fergus J M; Loos, Pierre-François

    2016-01-01

    Within density-functional theory, the local-density approximation (LDA) correlation functional is typically built by fitting the difference between the near-exact and Hartree-Fock (HF) energies of the uniform electron gas (UEG), together with analytic perturbative results from the high- and low-density regimes. Near-exact energies are obtained by performing accurate diffusion Monte Carlo calculations, while HF energies are usually assumed to be the Fermi fluid HF energy. However, it has been known since the seminal work of Overhauser that one can obtain lower, symmetry-broken (SB) HF energies at any density. Here, we have computed the SBHF energies of the one-dimensional UEG and constructed a SB version of the LDA (SBLDA) from the results. We compare the performance of the LDA and SBLDA functionals when applied to one-dimensional systems, including atoms and molecules. Generalization to higher dimensions is also discussed.

  5. Density and localized states' impact on amorphous carbon electron transport mechanisms

    Science.gov (United States)

    Caicedo-Dávila, S.; Lopez-Acevedo, O.; Velasco-Medina, J.; Avila, A.

    2016-12-01

    This work discusses the electron transport mechanisms that we obtained as a function of the density of amorphous carbon (a-C) ultra-thin films. We calculated the density of states (total and projected), degree of electronic states' localization, and transmission function using the density functional theory and nonequilibrium Green's functions method. We generated 25 sample a-C structures using ab-initio molecular dynamics within the isothermal-isobaric ensemble. We identified three transport regimes as a function of the density, varying from semimetallic in low-density samples ( ≤2.4 g/cm3) to thermally activated in high-density ( ≥2.9 g/cm3) tetrahedral a-C. The middle-range densities (2.4 g/cm3 ≤ρ≤ 2.9 g/cm3) are characterized by resonant tunneling and hopping transport. Our findings offer a different perspective from the tight-binding model proposed by Katkov and Bhattacharyya [J. Appl. Phys. 113, 183712 (2013)], and agree with experimental observations in low-dimensional carbon systems [see S. Bhattacharyya, Appl. Phys. Lett. 91, 21 (2007)]. Identifying transport regimes is crucial to the process of understanding and applying a-C thin film in electronic devices and electrode coating in biosensors.

  6. 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

    2017-04-03

    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.

  7. Bounds on the local energy density of holographic CFTs from bulk geometry

    CERN Document Server

    Fischetti, Sebastian; Wiseman, Toby

    2016-01-01

    The stress tensor is a basic local operator in any field theory; in the context of AdS/CFT, it is the operator which is dual to the bulk geometry itself. Here we exploit this feature by using the bulk geometry to place constraints on the local energy density in static states of holographic $(2+1)$-dimensional CFTs living on a closed (but otherwise generally curved) spatial geometry. We allow for the presence of a marginal scalar deformation, dual to a massless scalar field in the bulk. For certain vacuum states in which the bulk geometry is well-behaved at zero temperature, we find that the bulk equations of motion imply that the local energy density integrated over specific boundary domains is negative. In the absence of scalar deformations, we use the inverse mean curvature flow to show that if the CFT spatial geometry has spherical topology but non-constant curvature, the local energy density must be positive somewhere. This result extends to other topologies, but only for certain types of vacuum; in parti...

  8. Bounds on the local energy density of holographic CFTs from bulk geometry

    Science.gov (United States)

    Fischetti, Sebastian; Hickling, Andrew; Wiseman, Toby

    2016-11-01

    The stress tensor is a basic local operator in any field theory; in the context of AdS/CFT, it is the operator which is dual to the bulk geometry itself. Here we exploit this feature by using the bulk geometry to place constraints on the local energy density in static states of holographic (2+1)-dimensional CFTs living on a closed (but otherwise generally curved) spatial geometry. We allow for the presence of a marginal scalar deformation, dual to a massless scalar field in the bulk. For certain vacuum states in which the bulk geometry is well-behaved at zero temperature, we find that the bulk equations of motion imply that the local energy density integrated over specific boundary domains is negative. In the absence of scalar deformations, we use the inverse mean curvature flow to show that if the CFT spatial geometry has spherical topology but non-constant curvature, the local energy density must be positive somewhere. This result extends to other topologies, but only for certain types of vacuum; in particular, for a generic toroidal boundary, the vacuum’s bulk dual must be the zero-temperature limit of a toroidal black hole.

  9. Phototactic number-density flux in the localized bioconvection of Euglena gracilis

    Science.gov (United States)

    Shoji, Erika; Suematsu, Nobuhiko; Nishimori, Hiraku; Awazu, Akinori; Izumi, Shunsuke; Iima, Makoto

    2014-11-01

    Euglena gracilis is a unicellular phototactic flagellate; it escapes from light sources if the light intensity is higher than 200 W/m2 (negative phototaxis). When the suspension of E. gracilis is illuminated from the bottom by strong light, bioconvection patterns are generated. In the case of E. gracilis, the patterns can be spatially localized. The localization mechanism has not been clarified. We report experimental results related to the localization mechanism. In particular, we experimentally measured the strength of the phototaxis in the lateral direction as well as vertical direction. We prepared a thin container in which the suspension is included, and gave the linearly-changing light intensity. We found the number density gets a peak at a particular light intensity, which never happens if the suspension has the vertical phototaxis only. Further, we succeeded in getting the function representing lateral phototaxis. The relationship between the measured functions and the localized convection cells will be also reported.

  10. The local projection in the density functional theory plus U approach: A critical assessment.

    Science.gov (United States)

    Wang, Yue-Chao; Chen, Ze-Hua; Jiang, Hong

    2016-04-14

    Density-functional theory plus the Hubbard U correction (DFT + U) method is widely used in first-principles studies of strongly correlated systems, as it can give qualitatively (and sometimes, semi-quantitatively) correct description of energetic and structural properties of many strongly correlated systems with similar computational cost as local density approximation or generalized gradient approximation. On the other hand, the DFT + U approach is limited both theoretically and practically in several important aspects. In particular, the results of DFT + U often depend on the choice of local orbitals (the local projection) defining the subspace in which the Hubbard U correction is applied. In this work we have systematically investigated the issue of the local projection by considering typical transition metal oxides, β-MnO2 and MnO, and comparing the results obtained from different implementations of DFT + U. We found that the choice of the local projection has significant effects on the DFT + U results, which are more significant for systems with stronger covalent bonding (e.g., MnO2) than those with more ionic bonding (e.g., MnO). These findings can help to clarify some confusion arising from the practical use of DFT + U and may also provide insights for the development of new first-principles approaches beyond DFT + U.

  11. 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.

  12. 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

    -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......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...

  13. Orbital localization, charge transfer, and band gaps in semilocal density-functional theory.

    Science.gov (United States)

    Armiento, R; Kümmel, S

    2013-07-19

    We derive an exchange energy functional of generalized gradient form with a corresponding potential that changes discontinuously at integer particle numbers. The functional is semilocal, yet incorporates key features that are connected to the derivative discontinuity of Kohn-Sham density-functional theory. We validate our construction for several paradigm systems and explain how it addresses central well-known deficiencies of antecedent semilocal methods, i.e., the description of charge transfer, properly localized orbitals, and band gaps. We find, e.g., an improved shell structure for atoms, eigenvalues that more closely correspond to ionization energies, and an improved description of band structure where localized states are lowered in energy.

  14. 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

    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...

  15. Ergodic Properties of Local Spectral Density for a Conservative System of Coupled Quantum States

    CERN Document Server

    Starovoitov, V S

    2002-01-01

    The shape and the inverse participation ratio (IPR) of local spectral density (LSD) are studied for a generic isolated system of coupled quantum states, the Hamiltonian of which is represented by a band random matrix with the disordered leading diagonal. We find for the matrices with arbitrary small band that the lack of ergodicity for LSD can be associated with an exponential increase in IPR with the ratio $v/\\Delta_c$ ($v$ - the root of mean square for off-diagonal matrix elements, $\\Delta_c$ - the energy spacing between directly coupled basis states). Criterions specifying transition to localization and ergodicity for LSD are considered.

  16. Fitting density models to observational data - The local Schmidt law in molecular clouds

    CERN Document Server

    Lombardi, Marco; Alves, João

    2013-01-01

    We consider the general problem of fitting a parametric density model to discrete observations, taken to follow a non-homogeneous Poisson point process. This class of models is very common, and can be used to describe many astrophysical processes, including the distribution of protostars in molecular clouds. We give the expression for the likelihood of a given spatial density distribution of protostars and apply it to infer the most probable dependence of the protostellar surface density on the gas surface density. Finally, we apply this general technique to model the distribution of protostars in the Orion molecular cloud and robustly derive the local star formation scaling (Schmidt) law for a molecular cloud. We find that in this cloud the protostellar surface density, \\Sigma_YSO, is directly proportional to the square gas column density, here expressed as infrared extinction in the K-band, A_K: more precisely, \\Sigma_YSO = (1.65 +/- 0.19) A_K^(2.03 +/- 0.15) stars pc^-2.

  17. Localized operator partitioning method for electronic excitation energies in the time-dependent density functional formalism

    CERN Document Server

    Nagesh, Jayashree; Brumer, Paul; Izmaylov, Artur F

    2016-01-01

    We extend the localized operator partitioning method (LOPM) [J. Nagesh, A.F. Izmaylov, and P. Brumer, J. Chem. Phys. 142, 084114 (2015)] to the time-dependent density functional theory (TD-DFT) framework to partition molecular electronic energies of excited states in a rigorous manner. A molecular fragment is defined as a collection of atoms using Stratman-Scuseria-Frisch atomic partitioning. A numerically efficient scheme for evaluating the fragment excitation energy is derived employing a resolution of the identity to preserve standard one- and two-electron integrals in the final expressions. The utility of this partitioning approach is demonstrated by examining several excited states of two bichromophoric compounds: 9-((1-naphthyl)-methyl)-anthracene and 4-((2-naphthyl)-methyl)-benzaldehyde. The LOPM is found to provide nontrivial insights into the nature of electronic energy localization that are not accessible using simple density difference analysis.

  18. Universal dynamics of density correlations at the transition to the many-body localized state

    Science.gov (United States)

    Mierzejewski, M.; Herbrych, J.; Prelovšek, P.

    2016-12-01

    Within one-dimensional disordered models of interacting fermions, we perform a numerical study of several dynamical density correlations, which can serve as hallmarks of the transition to the many-body localized state. The results confirm that density-wave correlations exhibit quite an abrupt change with increasing disorder, with a nonvanishing long-time value characteristic for the nonergodic phase. In addition, our results reveal a logarithmic variation of correlations in time in a wide time window, which we can bring in connection with the anomalous behavior of the dynamical conductivity near the transition. Our results support the view that the transition to many-body localization can be characterized by universal dynamical exponents.

  19. Synaptic Ribbons Require Ribeye for Electron Density, Proper Synaptic Localization, and Recruitment of Calcium Channels

    Directory of Open Access Journals (Sweden)

    Caixia Lv

    2016-06-01

    Full Text Available Synaptic ribbons are structures made largely of the protein Ribeye that hold synaptic vesicles near release sites in non-spiking cells in some sensory systems. Here, we introduce frameshift mutations in the two zebrafish genes encoding for Ribeye and thus remove Ribeye protein from neuromast hair cells. Despite Ribeye depletion, vesicles collect around ribbon-like structures that lack electron density, which we term “ghost ribbons.” Ghost ribbons are smaller in size but possess a similar number of smaller vesicles and are poorly localized to synapses and calcium channels. These hair cells exhibit enhanced exocytosis, as measured by capacitance, and recordings from afferent neurons post-synaptic to hair cells show no significant difference in spike rates. Our results suggest that Ribeye makes up most of the synaptic ribbon density in neuromast hair cells and is necessary for proper localization of calcium channels and synaptic ribbons.

  20. The Van der Waals interaction of the hydrogen molecule an exact local energy density functional

    CERN Document Server

    Choy, T C

    1999-01-01

    We verify that the van der Waals interaction and hence all dispersion interactions for the hydrogen molecule given by: W''= -{A/R^6}-{B/R^8}-{C/R^10}- ..., in which R is the internuclear separation, are exactly soluble. The constants A=6.4990267..., B=124.3990835 ... and C=1135.2140398... (in Hartree units) first obtained approximately by Pauling and Beach (PB) [1] using a linear variational method, can be shown to be obtainable to any desired accuracy via our exact solution. In addition we shall show that a local energy density functional can be obtained, whose variational solution rederives the exact solution for this problem. This demonstrates explicitly that a static local density functional theory exists for this system. We conclude with remarks about generalising the method to other hydrogenic systems and also to helium.

  1. Water dynamics: relation between hydrogen bond bifurcations, molecular jumps, local density & hydrophobicity.

    Science.gov (United States)

    Titantah, John Tatini; Karttunen, Mikko

    2013-10-21

    Structure and dynamics of water remain a challenge. Resolving the properties of hydrogen bonding lies at the heart of this puzzle. We employ ab initio Molecular Dynamics (AIMD) simulations over a wide temperature range. The total simulation time was ≈ 2 ns. Both bulk water and water in the presence of a small hydrophobic molecule were simulated. We show that large-angle jumps and bond bifurcations are fundamental properties of water dynamics and that they are intimately coupled to both local density and hydrogen bond strength oscillations in scales from about 60 to a few hundred femtoseconds: Local density differences are the driving force for bond bifurcations and the consequent large-angle jumps. The jumps are intimately connected to the recently predicted hydrogen bond energy asymmetry. Our analysis also appears to confirm the existence of the so-called negativity track provided by the lone pairs of electrons on the oxygen atom to enable water rotation.

  2. Probing the local density of states in three dimensions with a scanning single quantum emitter

    CERN Document Server

    Schell, Andreas W; Benson, Oliver

    2013-01-01

    Their intrinsic properties render single quantum systems as ideal tools for quantum enhanced sensing and microscopy. As an additional benefit, their size is typically on an atomic scale which enables sensing with very high spatial resolution. Here, we report on utilizing a single nitrogen vacancy center in nanodiamond for performing three-dimensional scanning-probe fluorescence lifetime imaging microscopy. By measuring changes of the single emitter's lifetime information on the local density of optical states is acquired at the nanoscale. This technique to gather information on the local density of optical states is important for the understanding of fundamental quantum optical processes as well as for the engineering of novel photonic and plasmonic devices.

  3. Generation of localized magnetic moments in the charge-density-wave state

    Science.gov (United States)

    Akzyanov, Ramil S.; Rozhkov, Alexander V.

    2015-08-01

    We propose a mechanism explaining the generation of localized magnetic moments in charge-density-wave compounds. Our model Hamiltonian describes an Anderson impurity placed in a host material exhibiting the charge-density wave. There is a region of the model's parameter space, where even weak Coulomb repulsion on the impurity site is able to localize the magnetic moment on the impurity. The phase diagram of a single impurity at T = 0 is mapped. To establish the connection with experiment, the thermodynamic properties of a random impurity ensemble is studied. Magnetic susceptibility of the ensemble diverges at low temperature; heat capacity as a function of the magnetic field demonstrates pronounced low field peak. Both features are consistent with experiments on orthorhombic TaS3 and blue bronze.

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

    CERN Document Server

    Fabiano, E; Cortona, P; Della Sala, F

    2015-01-01

    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. 106, 186406, (2011)] 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 energetical and structural testings, including thermochemistry and geometry, transition metal complexes, non-covalent 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\\% o...

  5. Band theoretical investigation of substituted CrO2 within the local density approximation

    OpenAIRE

    1994-01-01

    The effects of substitutions at différent concentrations within the lattice of CrO2 are investigated assuming ordered configurations. For this purpose we use self-consistent band structure calculations based on the local spin density approximation. All results show an antiparallel spin alignment between host Cr and the substitutional M = Ir, Os, Pt. Depending on the nature of M and its concentration, CrO2 transforms from a half metallic ferromagnet to a halfmetallic or metallic ferrimagnet.

  6. Green Function Approach to the Calculation of the Local Density of States in the Graphitic Nanocone

    Directory of Open Access Journals (Sweden)

    Smotlacha Jan

    2016-01-01

    Full Text Available Graphene and other nanostructures belong to the center of interest of today’s physics research. The local density of states of the graphitic nanocone influenced by the spin–orbit interaction was calculated. Numerical calculations and the Green function approach were used to solve this problem. It was proven in the second case that the second order approximation is not sufficient for this purpose.

  7. Enhanced toroidal flow stabilization of edge localized modes with increased plasma density

    Science.gov (United States)

    Cheng, Shikui; Zhu, Ping; Banerjee, Debabrata

    2017-09-01

    Toroidal flow alone is generally thought to have an important influence on tokamak edge pedestal stability, even though theoretical analysis often predicts merely a weak stabilizing effect of toroidal flow on the edge localized modes (ELMs) in experimental parameter regimes. For the first time, we find from two-fluid MHD calculations that such a stabilization, however, can be significantly enhanced by increasing the edge plasma density. Our finding resolves a long-standing mystery whether or how toroidal rotation can indeed have an effective influence on ELMs, and explains why the ELM mitigation and suppression by toroidal rotation are more favorably achieved in higher collisionality regime in recent experiments. The finding suggests a new control scheme on modulating toroidal flow stabilization of ELMs with plasma density, along with a new additional constraint on the optimal level of plasma density for the desired edge plasma conditions.

  8. Routing Strategy Based on Local Density Sensing in Delay Tolerant Network

    Directory of Open Access Journals (Sweden)

    Fucai Wang

    2014-02-01

    Full Text Available Aiming at the interval connectivity and the limitation of available storage and internodes throughput in delay tolerant network, this paper designs a kind of Density-Aware Routing Scheme (DARS for its messaging service. According to the density of nodes, the direction that messages are forwarded to the dense area is decided. The change of correlation time between networks is used to evaluate local density and decide how to exchange information with a certain node met in the process of moving. Simulation results show that the proposed scheme has simplicity and low complexity. In the delay tolerant network of non-uniform node distribution, the message transfer rate and communication overhead get fairly good effect.

  9. A simple local correlation energy functional for spherically confined atoms from ab initio correlation energy density.

    Science.gov (United States)

    Vyboishchikov, Sergei F

    2017-09-03

    We propose a simple method of calculating the electron correlation energy density e_c(r) and the correlation potential V_c(r) from second-order Møller-Plesset amplitudes and its generalization for the case of a Configuration Interaction wavefunction, based on Nesbet's theorem. The correlation energy density obtained by this method for free and spherically confined Be and He atoms was employed to fit a local analytical density functional based on Wigner's functional. The functional is capable to reproduce a strong increase of the correlation energy with decreasing the confined radius for the Be atom. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Approximate, non-relativistic scattering phase shifts, bound state energies, and wave function normalization factors for a screened Coulomb potential of the Hulthen type

    Energy Technology Data Exchange (ETDEWEB)

    Buehring, W.

    1983-03-01

    Non-relativistic scattering phase shifts, bound state energies, and wave function normalization factors for a screened Coulomb potential of the Hulthen type are presented in the form of relatively simple analytic expressions. These formulae have been obtained by a suitable renormalization procedure applied to the quantities derived from an approximate Schroedinger equation which contains the exact Hulthen potential together with an approximate angular momentum term. When the screening exponent vanishes, our formulae reduce to the exact Coulomb expresions. The interrelation between our formulae and Pratt's analytic perturbation theory for screened Coulomb potentials' is discussed.

  11. The Local Galaxy Density and the Arm Class of Spiral Galaxies

    CERN Document Server

    Giuricin, G; Mardirossian, F; Mezzetti, M

    1993-01-01

    We have examined the effect of the environmental density on the arm classification of an extensive sample of spiral galaxies included in the Nearby Galaxy Catalog (Tully, 1988a). We have also explored the dependence of the arm class of a galaxy on other factors, such as its blue absolute magnitude and its disk-to-total mass ratio, inferred in the literature either from the gradient of a good galaxy rotation curve or from a photometric mass decomposition method. We have found that the arm class is strongly related to the absolute magnitude in the mid-type spirals (in the sense that grand design galaxies are, on average, more luminous than flocculent objects), whilst this relation is considerably weaker in the early and late types. In general the influence of the local density on the arm structure appears to be much weaker than that of the absolute magnitude. The local density acts essentially in strengthening the arm class--absolute magnitude relation for the mid types, whereas no environmental density effects...

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

    Science.gov (United States)

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

    2014-05-14

    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.

  13. Parallel and Low-Order Scaling Implementation of Hartree-Fock Exchange Using Local Density Fitting.

    Science.gov (United States)

    Köppl, Christoph; Werner, Hans-Joachim

    2016-07-12

    Calculations using modern linear-scaling electron-correlation methods are often much faster than the necessary reference Hartree-Fock (HF) calculations. We report a newly implemented HF program that speeds up the most time-consuming step, namely, the evaluation of the exchange contributions to the Fock matrix. Using localized orbitals and their sparsity, local density fitting (LDF), and atomic orbital domains, we demonstrate that the calculation of the exchange matrix scales asymptotically linearly with molecular size. The remaining parts of the HF calculation scale cubically but become dominant only for very large molecular sizes or with many processing cores. The method is well parallelized, and the speedup scales well with up to about 100 CPU cores on multiple compute nodes. The effect of the local approximations on the accuracy of computed HF and local second-order Møller-Plesset perturbation theory energies is systematically investigated, and default values are established for the parameters that determine the domain sizes. Using these values, calculations for molecules with hundreds of atoms in combination with triple-ζ basis sets can be carried out in less than 1 h, with just a few compute nodes. The method can also be used to speed up density functional theory calculations with hybrid functionals that contain HF exchange.

  14. Chitosan Nanoparticles for Nuclear Targeting: The Effect of Nanoparticle Size and Nuclear Localization Sequence Density.

    Science.gov (United States)

    Tammam, Salma N; Azzazy, Hassan M E; Breitinger, Hans G; Lamprecht, Alf

    2015-12-07

    Many recently discovered therapeutic proteins exert their main function in the nucleus, thus requiring both efficient uptake and correct intracellular targeting. Chitosan nanoparticles (NPs) have attracted interest as protein delivery vehicles due to their biocompatibility and ability to escape the endosomes offering high potential for nuclear delivery. Molecular entry into the nucleus occurs through the nuclear pore complexes, the efficiency of which is dependent on NP size and the presence of nuclear localization sequence (NLS). Chitosan nanoparticles of different sizes (S-NPs ≈ 25 nm; L-NP ≈ 150 nm) were formulated, and they were modified with different densities of the octapeptide NLS CPKKKRKV (S-NPs, 0.25, 0.5, 2.0 NLS/nm(2); L-NPs, 0.6, 0.9, 2 NLS/nm(2)). Unmodified and NLS-tagged NPs were evaluated for their protein loading capacity, extent of cell association, cell uptake, cell surface binding, and finally nuclear delivery efficiency in L929 fibroblasts. To avoid errors generated with cell fractionation and nuclear isolation protocols, nuclear delivery was assessed in intact cells utilizing Förster resonance energy transfer (FRET) fluorometry and microscopy. Although L-NPs showed ≈10-fold increase in protein loading per NP when compared to S-NPs, due to higher cell association and uptake S-NPs showed superior protein delivery. NLS exerts a size and density dependent effect on nanoparticle uptake and surface binding, with a general reduction in NP cell surface binding and an increase in cell uptake with the increase in NLS density (up to 8.4-fold increase in uptake of High-NLS-L-NPs (2 NLS/nm(2)) compared to unmodified L-NPs). However, for nuclear delivery, unmodified S-NPs show higher nuclear localization rates when compared to NLS modified NPs (up to 5-fold by FRET microscopy). For L-NPs an intermediate NLS density (0.9 NLS/nm(2)) seems to provide highest nuclear localization (3.7-fold increase in nuclear delivery compared to High

  15. Localized form of Fock terms in nuclear covariant density functional theory

    CERN Document Server

    Liang, Haozhao; Ring, Peter; Roca-Maza, Xavier; Meng, Jie

    2012-01-01

    In most of the successful versions of covariant density functional theory in nuclei, the Fock terms are not included explicitly, which leads to local functionals and forms the basis of their widespread applicability at present. However, it has serious consequences for the description of Gamow-Teller resonances (GTR) and spin-dipole resonances (SDR) which can only be cured by adding further phenomenological parameters. Relativistic Hartree-Fock models do not suffer from these problems. They can successfully describe the GTR and SDR as well as the isovector part of the Dirac effective mass without any additional parameters. However, they are non-local and require considerable numerical efforts. By the zero-range reduction and the Fierz transformation, a new method is proposed to take into account the Fock terms in local functionals, which retains the simplicity of conventional models and provides proper descriptions of the spin-isospin channels and the Dirac masses.

  16. 3D Velocity and Density Reconstructions of the Local Universe with Cosmicflows-1

    CERN Document Server

    Courtois, Helene M; Tully, R Brent; Gottlober, Stefan

    2011-01-01

    This paper presents an analysis of the local peculiar velocity field based on the Wiener Filter reconstruction method. We used our currently available catalog of distance measurements containing 1,797 galaxies within 3000 km/s: Cosmicflows-1. The Wiener Filter method is used to recover the full 3D peculiar velocity field from the observed map of radial velocities and to recover the underlying linear density field. The velocity field within a data zone of 3000 km/s is decomposed into a local component that is generated within the data zone and a tidal one that is generated by the mass distribution outside that zone. The tidal component is characterized by a coherent flow toward the Norma-Hydra-Centaurus (Great Attractor) region while the local component is dominated by a flow toward the Virgo Cluster and away from the Local Void. A detailed analysis shows that the local flow is predominantly governed by the Local Void and the Virgo Cluster plays a lesser role. The analysis procedure was tested against a mock c...

  17. The Structure, Density, and Local Environment Distribution in Ab Initio Liquid Water

    Science.gov (United States)

    Santra, Biswajit; Distasio, Robert A., Jr.; Wu, Xifan; Car, Roberto

    2014-03-01

    We have performed extensive ab initio molecular dynamics (AIMD) simulations of liquid water at ambient conditions in the canonical (NVT) and isothermal-isobaric (NPT) ensembles to understand the individual and collective importance of exact exchange, van der Waals interactions, and nuclear quantum effects on the structural properties of liquid water. AIMD simulations which include these effects result in oxygen-oxygen radial distribution functions which are in excellent agreement with experiments and a liquid water structure having an equilibrium density within 1% of the experimental value of 1 g/cm3. A detailed analysis of the distribution of local structure in ambient liquid water has revealed that the inherent potential energy surface is bimodal with respect to high- and low-density molecular environments, consistent with the existence of polymorphism in the amorphous phases of water. With these findings in mind, the methodology presented herein overcomes the well-known limitations of semi-local density functional theory (GGA-DFT) providing a detailed and accurate microscopic description of ambient liquid water. DOE: DE-SC0008626, DOE: DE-SC0005180, NSF: CHE-0956500.

  18. 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.

  19. Volumetric magnetic resonance imaging classification for Alzheimer's disease based on kernel density estimation of local features

    Institute of Scientific and Technical Information of China (English)

    YAN Hao; WANG Hu; WANG Yong-hui; ZHANG Yu-mei

    2013-01-01

    Background The classification of Alzheimer's disease (AD) from magnetic resonance imaging (MRI) has been challenged by lack of effective and reliable biomarkers due to inter-subject variability.This article presents a classification method for AD based on kernel density estimation (KDE) of local features.Methods First,a large number of local features were extracted from stable image blobs to represent various anatomical patterns for potential effective biomarkers.Based on distinctive descriptors and locations,the local features were robustly clustered to identify correspondences of the same underlying patterns.Then,the KDE was used to estimate distribution parameters of the correspondences by weighting contributions according to their distances.Thus,biomarkers could be reliably quantified by reducing the effects of further away correspondences which were more likely noises from inter-subject variability.Finally,the Bayes classifier was applied on the distribution parameters for the classification of AD.Results Experiments were performed on different divisions of a publicly available database to investigate the accuracy and the effects of age and AD severity.Our method achieved an equal error classification rate of 0.85 for subject aged 60-80 years exhibiting mild AD and outperformed a recent local feature-based work regardless of both effects.Conclusions We proposed a volumetric brain MRI classification method for neurodegenerative disease based on statistics of local features using KDE.The method may be potentially useful for the computer-aided diagnosis in clinical settings.

  20. 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)

  1. 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.

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

    Science.gov (United States)

    Luo, Jiawei; Qi, Yi

    2015-01-01

    Background 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. Method 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. Results 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). Conclusions LIDC is more effective for the prediction of essential proteins than other recently developed methods. PMID:26125187

  3. Where Does the Density Localize? Convergent Behavior for Global Hybrids, Range Separation, and DFT+U

    CERN Document Server

    Gani, Terry Z H

    2016-01-01

    Approximate density functional theory (DFT) suffers from many-electron self- interaction error, otherwise known as delocalization error, that may be diagnosed and then corrected through elimination of the deviation from exact piecewise linear behavior between integer electron numbers. Although paths to correction of energetic delocalization error are well- established, the impact of these corrections on the electron density is less well-studied. Here, we compare the effect on density delocalization of DFT+U, global hybrid tuning, and range- separated hybrid tuning on a diverse test set of 32 transition metal complexes and observe the three methods to have qualitatively equivalent effects on the ground state density. Regardless of valence orbital diffuseness (i.e., from 2p to 5p), ligand electronegativity (i.e., from Al to O), basis set (i.e., plane wave versus localized basis set), metal (i.e., Ti, Fe, Ni) and spin state, or tuning method, we consistently observe substantial charge loss at the metal and gain ...

  4. The dipole moment of the spin density as a local indicator for phase transitions

    Science.gov (United States)

    Schmitz, D.; Schmitz-Antoniak, C.; Warland, A.; Darbandi, M.; Haldar, S.; Bhandary, S.; Eriksson, O.; Sanyal, B.; Wende, H.

    2014-07-01

    The intra-atomic magnetic dipole moment - frequently called term - plays an important role in the determination of spin magnetic moments by x-ray absorption spectroscopy for systems with nonspherical spin density distributions. In this work, we present the dipole moment as a sensitive monitor to changes in the electronic structure in the vicinity of a phase transiton. In particular, we studied the dipole moment at the Fe2+ and Fe3+ sites of magnetite as an indicator for the Verwey transition by a combination of x-ray magnetic circular dichroism and density functional theory. Our experimental results prove that there exists a local change in the electronic structure at temperatures above the Verwey transition correlated to the known spin reorientation. Furthermore, it is shown that measurement of the dipole moment is a powerful tool to observe this transition in small magnetite nanoparticles for which it is usually screened by blocking effects in classical magnetometry.

  5. Probing the Electromagnetic Local Density of States with a Strongly Mixed Electric and Magnetic Dipole Emitter

    CERN Document Server

    Karaveli, Sinan; Zia, Rashid

    2013-01-01

    We identify a solid-state quantum emitter whose room-temperature radiative decay is mediated by a nearly equal mixture of isotropic electric dipole (ED) and magnetic dipole (MD) transitions. Using energy-momentum spectroscopy, we experimentally show that the near-infrared $^3$T$_2{\\rightarrow}^3$A$_2$ emission from divalent-nickel-doped magnesium oxide (Ni$^{2+}$:MgO) is composed of $\\sim$50% MD and $\\sim$50% ED transitions. We then demonstrate that the spontaneous emission rate of these ions near planar interfaces is determined by the combined electric and magnetic local density of optical states (LDOS). This electromagnetic LDOS probes the total mode density, and thus similar to thermal emission, these unique electronic emitters effectively excite all polarizations and orientations of the electromagnetic field.

  6. Local distortion in Co-doped LSMO from entropy-maximized charge density distribution

    Energy Technology Data Exchange (ETDEWEB)

    Syed Ali, K.S. [Department of Physics, The Madura College, Madurai 625011 (India); Saravanan, R., E-mail: saragow@dataone.i [Department of Physics, The Madura College, Madurai 625011 (India); Pashchenko, A.V.; Pashchenko, V.P. [Galkin Donetsk Institute of Physics and Technology, National Academy of Sciences of Ukraine, Donetsk 83114 (Ukraine)

    2010-07-09

    Perovskite structure manganites La{sub 0.67}Sr{sub 0.22}Mn{sub 1.11-x}Co{sub x}O{sub 3} were prepared by the solid state reaction method. An X-ray analysis of the structure was undertaken using the Rietveld technique on the experimental powder X-ray diffraction data and, then, a charge density distribution study was undertaken, using the maximum entropy method (MEM). The charge density in the unit cell was reconstructed and the effect of Co{sup 3+} doping in the Mn-O matrix was studied. Local distortions due to Co doping were analyzed and the results are now discussed.

  7. The dipole moment of the spin density as a local indicator for phase transitions.

    Science.gov (United States)

    Schmitz, D; Schmitz-Antoniak, C; Warland, A; Darbandi, M; Haldar, S; Bhandary, S; Eriksson, O; Sanyal, B; Wende, H

    2014-07-21

    The intra-atomic magnetic dipole moment - frequently called ⟨Tz⟩ term - plays an important role in the determination of spin magnetic moments by x-ray absorption spectroscopy for systems with nonspherical spin density distributions. In this work, we present the dipole moment as a sensitive monitor to changes in the electronic structure in the vicinity of a phase transiton. In particular, we studied the dipole moment at the Fe(2+) and Fe(3+) sites of magnetite as an indicator for the Verwey transition by a combination of x-ray magnetic circular dichroism and density functional theory. Our experimental results prove that there exists a local change in the electronic structure at temperatures above the Verwey transition correlated to the known spin reorientation. Furthermore, it is shown that measurement of the dipole moment is a powerful tool to observe this transition in small magnetite nanoparticles for which it is usually screened by blocking effects in classical magnetometry.

  8. Landau hamiltonians with random potentials localization and the density of states

    CERN Document Server

    Combes, J M; Combes, J M; Hislop, P D

    1994-01-01

    We prove the existence of localized states at the edges of the bands for the two-dimensional Landau Hamiltonian with a random potential, of arbitrary disorder, provided that the magnetic field is sufficiently large. The corresponding eigenfunctions decay exponentially with the magnetic field and distance. We also prove that the integrated density of states is Lipschitz continuous away from the Landau energies. The proof relies on a Wegner estimate for the finite-area magnetic Hamiltonians with random potentials and exponential decay estimates for the finite-area Green's functions. The proof of the decay estimates for the Green's functions uses fundamental results from two-dimensional bond percolation theory.

  9. A convergent scheme for a non-local coupled system modelling dislocations densities dynamics

    Science.gov (United States)

    Hajj, A. El; Forcadel, N.

    2008-06-01

    In this paper, we study a non-local coupled system that arises in the theory of dislocations densities dynamics. Within the framework of viscosity solutions, we prove a long time existence and uniqueness result for the solution of this model. We also propose a convergent numerical scheme and we prove a Crandall-Lions type error estimate between the continuous solution and the numerical one. As far as we know, this is the first error estimate of Crandall-Lions type for Hamilton-Jacobi systems. We also provide some numerical simulations.

  10. Observation of spatial fluctuations of the local density of states in random photonic media.

    Science.gov (United States)

    Birowosuto, M D; Skipetrov, S E; Vos, W L; Mosk, A P

    2010-07-02

    We experimentally study spatial fluctuations of the local density of states (LDOS) inside three-dimensional random photonic media. The LDOS is probed at many positions inside random photonic media by measuring emission rates of a large number of individual fluorescent nanospheres. The emission rates are observed to fluctuate spatially, and the variance of the fluctuations increases with the scattering strength. The measured variance of the emission rates agrees well with a model that takes into account the effect of the nearest scatterer only.

  11. Landau parameters for energy density functionals generated by local finite-range pseudopotentials

    CERN Document Server

    Idini, Andrea; Dobaczewski, Jacek

    2016-01-01

    In Landau theory of Fermi liquids, the particle-hole interaction near the Fermi energy in different spin-isospin channels is probed in terms of an expansion over the Legendre polynomials. This provides a useful and efficient way to constrain properties of nuclear energy density functionals in symmetric nuclear matter and finite nuclei. In this study, we present general expressions for Landau parameters corresponding to a two-body central local regularized pseudopotential. We also show results obtained for two recently adjusted NLO and N$^2$LO parametrizations. Such pseudopotentials will be used to determine mean-field and beyond-mean-field properties of paired nuclei across the entire nuclear chart.

  12. Micromagnetic model for studies on Magnetic Tunnel Junction switching dynamics, including local current density

    Energy Technology Data Exchange (ETDEWEB)

    Frankowski, Marek, E-mail: mfrankow@agh.edu.pl; Czapkiewicz, Maciej; Skowronski, Witold; Stobiecki, Tomasz

    2014-02-15

    We present a model introducing the Landau–Lifshitz–Gilbert equation with a Slonczewski's Spin-Transfer-Torque (STT) component in order to take into account spin polarized current influence on the magnetization dynamics, which was developed as an Object Oriented MicroMagnetic Framework extension. We implement the following computations: magnetoresistance of vertical channels is calculated from the local spin arrangement, local current density is used to calculate the in-plane and perpendicular STT components as well as the Oersted field, which is caused by the vertical current flow. The model allows for an analysis of all listed components separately, therefore, the contribution of each physical phenomenon in dynamic behavior of Magnetic Tunnel Junction (MTJ) magnetization is discussed. The simulated switching voltage is compared with the experimental data measured in MTJ nanopillars.

  13. Resolving phase information of the optical local density of state with scattering near-field probes

    Science.gov (United States)

    Prasad, R.; Vincent, R.

    2016-10-01

    We theoretically discuss the link between the phase measured using a scattering optical scanning near-field microscopy (s-SNOM) and the local density of optical states (LDOS). A remarkable result is that the LDOS information is directly included in the phase of the probe. Therefore by monitoring the spatial variation of the trans-scattering phase, we locally measure the phase modulation associated with the probe and the optical paths. We demonstrate numerically that a technique involving two-phase imaging of a sample with two different sized tips should allow to obtain the image the pLDOS. For this imaging method, numerical comparison with extinction probe measurement shows crucial qualitative and quantitative improvement.

  14. Voyager 1 in the Local Interstellar Medium: Cosmic-ray Energy Density and Ionization Rate

    Science.gov (United States)

    Cummings, A. C.; Stone, E. C.; Heikkila, B. C.; Lal, N.; Webber, W. R.; Johannesson, G.; Moskalenko, I.; Orlando, E.; Porter, T.

    2015-12-01

    We present the energy spectra of cosmic ay nuclei and electrons in the local interstellar medium (LISM) from the Cosmic Ray Subsystem on Voyager 1 (V1). We use four models of the local interstellar spectra of nuclei and one of electrons that are constrained by the observations to compute the energy density and ionization rate of atomic H in the LISM above 3 MeV for electrons and protons and above 3 MeV/nuc for nuclei with Z > 1. We find that the total cosmic-ray energy density is in the range 0.82-0.97 eV/cm3, which includes a contribution of 0.023 eV/cm3 from electrons. We find the cosmic-ray ionization rate of atomic H to be in the range 1.45-1.58 x 10-17 s-1, which is a factor of more than 10 below the cosmic-ray ionization rate in diffuse interstellar clouds based on astrochemistry methods. We discuss possible reasons for this difference. Voyager data analysis is supported by NASA Grant NNN12AA012. GALPROP development is supported by NASA Grants NNX13AC47G and NNX10AE78G.

  15. Characteristic of Secondary Flow Caused by Local Density Change in Standing Acoustic Fields

    Science.gov (United States)

    Tonsho, Kazuyuki; Hirosawa, Takuya; Kusakawa, Hiroshi; Kuwahara, Takuo; Tanabe, Mitsuaki

    Secondary flow is a flow which is caused by the interference between standing acoustic fields and local density change. The behavior of the secondary flow depends on the location of the given local density change in the standing acoustic fields. When the density change is given at the middle of a velocity node and the neighboring velocity anti-node (middle point) or when it is given at the velocity anti-node in standing acoustic fields, the secondary flow shows particular behavior. Characteristic of the secondary flow at the two positions was predicted by numerical simulations. It was examined from these simulations whether the driving mechanism of the flow can be explained by the kind of acoustic radiation force that has been proposed so far. The predicted secondary flow was verified by experiments. For both the simulations and experiments, the standing acoustic fields generated in a cylinder are employed. In the experiments, the acoustic fields are generated by two loud speakers that are vibrated in same phase in a chamber. The employed resonance frequency is about 1000 Hz. The chamber is filled with air of room temperature and atmospheric pressure. In the numerical simulations and experiments, the local density change is given by heating or cooling. Because the secondary flow is influenced by buoyancy, the numerical simulations were done without taking gravity force into account and a part of the experiments were done by the microgravity condition using a drop tower. As a result of the simulations, at the middle point, the heated air was blown toward the node and the cooled air was blown toward the anti-node. It is clarified that the secondary flow is driven by the expected kind of acoustic radiation force. At the anti-node, both the heated and cooled air expands perpendicular to the traveling direction of the sound wave. The driving mechanism of the secondary flow can not be explained by the acoustic radiation force, and a detailed analysis is done. Through the

  16. 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.

  17. Electron-pair densities with time-dependent quantum Monte-Carlo

    CERN Document Server

    Christov, Ivan P

    2013-01-01

    In this paper we use sets of de Broglie-Bohm trajectories to describe the quantum correlation effects which take place between the electrons in helium atom due to exchange and Coulomb interactions. A short-range screening of the Coulomb potential is used to modify the repulsion between the same spin electrons in physical space in order to comply with the Pauli's exclusion principle. By calculating the electron-pair density for ortho-helium we found that the shape of the exchange hole can be controlled uniquely by a simple screening parameter. For para-helium the inter-electronic distance, and hence the Coulomb hole, results from the combined action of the Coulomb repulsion and the non-local quantum correlations. In this way a robust and self-interaction-free approach is present to find both the ground state and the time evolution of non-relativistic quantum systems.

  18. A New Measurement of the Electron Density in the Local Interstellar Medium

    Science.gov (United States)

    Wood, Brian E.; Linsky, Jeffrey L.

    1997-01-01

    Using the echelle-A grating of the Goddard High-Resolution Spectrograph, we have observed the C II λλ1335, 1336 emission lines of the nearby (d = 13.3 pc) star system Capella (G8 III + G1 III). Interstellar C II absorption features are detected within both stellar emission lines. The ground-state and excited-state C II column densities derived from these absorption lines imply an electron density of ne = 0.11+0.12-0.06 cm-3 in the local interstellar medium (LISM). Unlike previous derivations of ne from Mg II/Mg I ratios, the density suggested by the C II lines is independent of assumptions about ionization equilibrium. Current estimates of the H I density in the LISM are in the range 0.1-0.2 cm-3. The He I/H I ratio toward the white dwarf G191-B2B, which is only 7° from Capella, has been measured to be He I/H I = 0.068-0.082 from the Extreme-Ultraviolet Explorer data. These results indicate hydrogen and helium ionization fractions toward Capella of X(H) = 0.45 +/- 0.25 and X(He) = 0.57 +/- 0.23, respectively, confirming that hydrogen and helium are substantially ionized in the LISM. Based on observations with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy Inc., under NASA contract NAS5-26555.

  19. The impact of local stellar radiation on the HI column density distribution

    CERN Document Server

    Rahmati, Alireza; Pawlik, Andreas H; Raičević, Milan

    2013-01-01

    It is often assumed that local sources of ionizing radiation have little impact on the distribution of HI in the post-reionization Universe. While this is a good assumption for the IGM, analytic arguments suggest that local sources may typically be more important than the background radiation for high column density absorbers (N_HI > 10^17 /cm^2). We post-process cosmological simulations with accurate radiation transport to investigate the impact of local stellar sources on the HI distribution. We demonstrate that the limited numerical resolution and the simplified treatment of the ISM that are typical of current cosmological simulations provide significant challenges, but that many of the problems can be overcome by taking two steps. First, using ISM particles rather than stellar particles as sources results in a much better sampling of the source distribution. Second, by rescaling the source luminosities so that the amount of radiation escaping into the IGM agrees with that required to produce the observed ...

  20. Quantum efficiency of self-assembled quantum dots determined by a modified optical local density of states

    DEFF Research Database (Denmark)

    Johansen, Jeppe; Stobbe, Søren; Nikolaev, I.S.

    2007-01-01

    We have measured time-resolved spontaneous emission from quantum dots near a dielectric interface with known photonic local density of states. We thus experimentally determine the quantum efficiency and the dipole moment, important for quantum optics.......We have measured time-resolved spontaneous emission from quantum dots near a dielectric interface with known photonic local density of states. We thus experimentally determine the quantum efficiency and the dipole moment, important for quantum optics....

  1. New exact bound states solutions for (C.F.P.S. potential in the case of Non commutative three dimensional non relativistic quantum mechanics

    Directory of Open Access Journals (Sweden)

    Abdelmadjid MAIRECHE

    2015-09-01

    Full Text Available We obtain here the modified bound-states solutions for central fraction power singular potential (C.F.P.S. in noncommutative 3-dimensional non relativistic quantum mechanics (NC-3D NRQM. It has been observed that the commutative energy spectra was changed, and replaced degenerate new states, depending on four quantum numbers: j, l and sz=±1/2 corresponding to the two spins states of electron by (up and down and the deformed Hamiltonian formed by two new operators: the first describes the spin-orbit interaction , while the second obtained Hamiltonian describes the modified Zeeman effect (containing ordinary Zeeman effect in addition to the usual commutative Hamiltonian. We showed that the isotropic commutative Hamiltonian HCFPS will be in non commutative space anisotropic Hamiltonian HNC-CFPS.

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

    Science.gov (United States)

    Lai, Dakun; Liu, Chenguang; Eggen, Michael D.; Iaizzo, Paul A.; He, Bin

    2011-07-01

    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. Tailoring correlations of the local density of states in disordered photonic materials

    CERN Document Server

    Riboli, F; Monaco, G; Caselli, N; Intonti, F; Gurioli, M; Skipetrov, S E

    2016-01-01

    We present experimental evidence for the different mechanisms driving the fluctuations of the local density of states (LDOS) in disordered photonic systems. We establish a clear link between the microscopic structure of the material and the frequency correlation function of LDOS accessed by a near-field hyperspectral imaging technique. We show, in particular, that short- and long-range frequency correlations of LDOS are controlled by different physical processes (multiple or single scattering processes, respectively) that can be---to some extent---manipulated independently. We also demonstrate that the single scattering contribution to the LDOS fluctuations is sensitive to subwavelength features of the material and, in particular, to the correlation length of its dielectric function. Our work paves the way towards a complete control of statistical properties of disordered photonic systems, allowing for designing materials with predefined LDOS correlations.

  4. Directional Local Density of States of Classical and Quantum Propagating Surface Plasmons

    Science.gov (United States)

    Berthel, Martin; Jiang, Quanbo; Pham, Aline; Bellessa, Joel; Genet, Cyriaque; Huant, Serge; Drezet, Aurélien

    2017-01-01

    We theoretically and experimentally introduce the concept of the local density of states (LDOS) associated with propagative surface plasmons (PSPs) launched along a structured thin gold film (a concept we call PSP LDOS). The alternative method couples a near-field optical microscope, in either the classical or the quantum regime of excitation, to a far-field leakage-radiation microscope. This method allows for selecting and collecting a very narrow portion of the directional SP wave vectors, thereby offering sufficient resolution to probe the collimation efficiency of a SP beam for a source near the focal point of a Bragg parabolic reflector. We are able to build and image the PSP LDOS in a fully integrated quantum SP launcher by depositing a diamond nanocrystal hosting nitrogen-vacancy centers at the focal point of the mirror. Our demonstration of the PSP LDOS with quantized SPs offers alternative prospects in the field of quantum plasmonics.

  5. Structure of Eigenstates and Local Spectral Density of States A Three-Orbital Schematic Shell Model

    CERN Document Server

    Wang, W; Casati, G; Wang, Wen-ge

    1998-01-01

    The average shape of the Spectral Local Density of States (LDOS) and eigenfunctions (EFs) has been studied numerically for a conservative dynamical model (three-orbital Lipkin-Meshkov-Glick model) which can exhibit strong chaos in the classical limit. The attention is paid to the comparison of the shape of LDOS with that known for random matrix models, as well as to the shape of the EFs, for different values of the perturbation strength. The classical counterparts of the LDOS has also been studied and found in a remarkable agreement with the quantum calculations. Finally, by making use of a generalization of Brillouin- Wigner perturbation expansion, the form of long tails of LDOS and EFs is given analytically and confirmed numerically.

  6. Local Density-of-States Mapping in Photonic Crystal Resonators by Deterministically Positioned Germanium Quantum Dots

    CERN Document Server

    Schatzl, Magdalena; Glaser, Martin; Brehm, Moritz; Simbula, Angelica; Galli, Matteo; Fromherz, Thomas; Schäffler, Friedrich

    2016-01-01

    We report on mapping of the local density of states in L3 photonic crystal resonators (PCR) via deterministically positioned single Ge quantum dots (QDs). Perfect site-control of Ge QDs on pre-patterned silicon-on-insulator substrates was exploited to fabricate in one processing run almost 300 L3 PCRs containing single QDs in systematically varying positions in the cavities. The alignment precision of the QD emitters was better than 20 nm. This type of parallel processing is essentially based on standard Si device technologies and is therefore scalable to any number and configuration of PCR structures. As a first demonstrator, we probed the coupling efficiency of a single Ge QD to the L3 cavity modes as a function of their spatial overlap. The results are in excellent agreement with finite-difference time-domain simulations.

  7. 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.

  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. Decay of density waves in coupled one-dimensional many-body-localized systems

    Science.gov (United States)

    Prelovšek, Peter

    2016-10-01

    This work analyzes the behavior of coupled disordered one-dimensional systems as modelled by identical fermionic Hubbard chains with the on-site potential disorder and coupling emerging through the interchain hopping t'. The study is motivated by the experiment on fermionic cold atoms on a disordered lattice, where a decay rate of the quenched density wave was measured. We present a derivation of the decay rate Γ within perturbation theory and show that, even at large disorder along the chains, the interaction leads to finite Γ >0 , the mechanism being the interaction-induced coupling of in-chain localized and interchain extended single-fermion states. Explicit expressions for Γ are presented for a weak interaction U U >t' . It is shown that, in both regimes, Γ increases with the interchain hopping t', as well as decreases with increasing disorder.

  10. Many-body localization and transition by density matrix renormalization group and exact diagonalization studies

    Science.gov (United States)

    Lim, S. P.; Sheng, D. N.

    2016-07-01

    A many-body localized (MBL) state is a new state of matter emerging in a disordered interacting system at high-energy densities through a disorder-driven dynamic phase transition. The nature of the phase transition and the evolution of the MBL phase near the transition are the focus of intense theoretical studies with open issues in the field. We develop an entanglement density matrix renormalization group (En-DMRG) algorithm to accurately target highly excited states for MBL systems. By studying the one-dimensional Heisenberg spin chain in a random field, we demonstrate the accuracy of the method in obtaining energy eigenstates and the corresponding statistical results of quantum states in the MBL phase. Based on large system simulations by En-DMRG for excited states, we demonstrate some interesting features in the entanglement entropy distribution function, which is characterized by two peaks: one at zero and another one at the quantized entropy S =ln2 with an exponential decay tail on the S >ln2 side. Combining En-DMRG with exact diagonalization simulations, we demonstrate that the transition from the MBL phase to the delocalized ergodic phase is driven by rare events where the locally entangled spin pairs develop power-law correlations. The corresponding phase diagram contains an intermediate or crossover regime, which has power-law spin-z correlations resulting from contributions of the rare events. We discuss the physical picture for the numerical observations in this regime, where various distribution functions are distinctly different from results deep in the ergodic and MBL phases for finite-size systems. Our results may provide new insights for understanding the phase transition in such systems.

  11. Intermolecular Interaction Potentials of CH4-Ne Complex Calculated with Local Density Approximation Methods

    Institute of Scientific and Technical Information of China (English)

    BAI Yu-Lin; CHENG Xiao-Hong; CHEN Xiang-Rong; YANG Xiang-Dong; ZHU Jun

    2004-01-01

    @@ The intermolecular interactions potentials for two configurations of CH4-Ne complex are calculated with local density approximation methods in the frame of density functional theory. It is found that the calculated potentials have two minima when the distance between the carbon atom of CH4 and the Ne atom takes R = 5.80 a.u.and 6.20a. u. for both the two configurations. For the edge configuration, the corresponding depth of the potential is 0.0669536 eV and 0.0671416 eV. For the face configuration, the corresponding depth of the potential is 0.0737956 eV and 0.0645506 eV. The global minimum occurs at R = 5.80 a.u. for the face configuration with a depth of the potential 0.0737956 eV. The depths of our calculation are in better agreement with the experimental data than the quantum chemical calculation approach, while the position of minimum potential for our calculation is underestimated.

  12. Mineral Nutritional Yield and Nutrient Density of Locally Adapted Wheat Genotypes under Organic Production

    Directory of Open Access Journals (Sweden)

    Sergio Daniel Moreira-Ascarrunz

    2016-12-01

    Full Text Available The aim of the present investigation was to investigate the nutritional yield, nutrient density, stability, and adaptability of organically produced wheat for sustainable and nutritional high value food production. This study evaluated the nutritional yield of four minerals (Fe, Zn, Cu, and Mg in 19 wheat genotypes, selected as being locally adapted under organic agriculture conditions. The new metric of nutritional yield was calculated for each genotype and they were evaluated for stability using the Additive Main effects and Multiplicative Interaction (AMMI stability analysis and for genotypic value, stability, and adaptability using the Best Linear Unbiased Prediction (BLUP procedure. The results indicated that there were genotypes suitable for production under organic agriculture conditions with satisfactory yields (>4000 kg·ha−1. Furthermore, these genotypes showed high nutritional yield and nutrient density for the four minerals studied. Additionally, since these genotypes were stable and adaptable over three environmentally different years, they were designated “balanced genotypes” for the four minerals and for the aforementioned characteristics. Selection and breeding of such “balanced genotypes” may offer an alternative to producing nutritious food under low-input agriculture conditions. Furthermore, the type of evaluation presented here may also be of interest for implementation in research conducted in developing countries, following the objectives of producing enough nutrients for a growing population.

  13. Cs diffusion in local Taiwan laterite with different solution concentration, pH and packing density

    Energy Technology Data Exchange (ETDEWEB)

    Wang, T.-H. [Department of Engineering and System Science, National Tsing Hua University, Hsinchu 300, Taiwan (China); Li, M.-H. [Institute of Hydrological Sciences, National Central University, Jungli 320, Taiwan (China); Teng, S.-P. [Department of Engineering and System Science, National Tsing Hua University, Hsinchu 300, Taiwan (China); Institute of Nuclear Engineering and Science, National Tsing Hua University, Hsinchu 300, Taiwan (China)], E-mail: spteng@ess.nthu.edu.tw

    2008-09-15

    In this work we used an 'in-diffusion' method to study the effects of pH, solution concentration and packing density on Cs diffusion by packing local Taiwan laterite (LTL) into modified capillary columns with 5 mm diameter. These packed columns were first pre-equilibrated with synthetic groundwater (GW) for 3 weeks. The diffusion experiments were then carried out at ambient condition for 2 weeks. Our experimental results showed that the Cs diffusion profile fits Fick's second law very well in given experimental conditions, indicating the validity of modified capillary column method. Generally speaking, Cs diffusion in LTL decreases as the pH increases and as Cs concentration decreases. The apparent diffusion coefficient (D{sub a}) increases from 5.52x10{sup -12} (10{sup -7} M) to 2.18x10{sup -11} (10{sup -3} M) m{sup 2}/s, while the effective diffusion coefficient (D{sub e}) shows slight variation as the Cs concentration changes. Both the derived D{sub a} and D{sub e} values decrease as the pH increases, implying that the diffusion mechanisms of Cs nuclide in alkaline and acid environment are different. In addition, our results show that Cs diffusion is unaffected by the given packing density, indicating the interlaminary space is not the major determinant of Cs adsorption and diffusion in LTL.

  14. Independent constraints on local non-Gaussianity from the peculiar velocity and density fields

    CERN Document Server

    Ma, Yin-Zhe; Scott, Douglas

    2013-01-01

    Primordial, non-Gaussian perturbations can generate scale-dependent bias in the galaxy distribution. This in turn will modify correlations between galaxy positions and peculiar velocities at late times, since peculiar velocities reflect the underlying matter distribution, whereas galaxies are a biased tracer of the same. We study this effect, and show that non-Gaussianity can be constrained by comparing the observed peculiar velocity field to a model velocity field reconstructed from the galaxy density field assuming linear bias. The amplitude of the spatial correlations in the residual map obtained after subtracting one velocity field from the other is directly proportional to the strength of the primordial non-Gaussianity. We construct the corresponding likelihood function use it to constrain the amplitude of the linear flow $\\beta$ and the amplitude of local non-Gaussianity $f^{NL}_{local}$. Applying our method to two observational data sets, the Type-Ia supernovae (A1SN) and Spiral Field \\textit{I}-band (...

  15. Global and local reactivity of simple substituted nitrenes and phosphinidenes within the spin-polarized density functional theory framework

    Science.gov (United States)

    Rincón, Elizabeth; Pérez, Patricia; Chamorro, Eduardo

    2007-11-01

    The local reactivity proclivities in a series of simple substituted nitrenes (N-X) and phosphinidenes (P-X) have been explored for the lowest-lying singlet and triplet electronic states within the framework of spin-polarized density functional theory (SP-DFT). Linear correlations have been found between both the global and local philicities for spin polarization and the vertical singlet-triplet energy gaps. The accumulation and depletion of the electron or spin density can be directly related to the electronegativity of the substituent atoms. The local analysis has been achieved on the basis of a recent implementation of condensed-to-site SP-DFT Fukui functions.

  16. Computation of local exchange coefficients in strongly interacting one-dimensional few-body systems: local density approximation and exact results

    DEFF Research Database (Denmark)

    Marchukov, O. V.; Eriksen, E. H.; Midtgaard, J. M.

    2016-01-01

    -trivial geometric factors that depend solely on the geometry of the confinement through the single-particle eigenstates of the external potential. To obtain accurate effective Hamiltonians to describe such systems one needs to be able to compute these geometric factors with high precision which is difficult due...... to the computational complexity of the high-dimensional integrals involved. An approach using the local density approximation would therefore be a most welcome approximation due to its simplicity. Here we assess the accuracy of the local density approximation by going beyond the simple harmonic oscillator that has...

  17. Spin, localization and uncertainty of relativistic fermions

    CERN Document Server

    Céleri, Lucas C; Terno, Daniel R

    2016-01-01

    We describe relations between several relativistic spin observables and derive a Lorentz-invariant characteristic of a reduced spin density matrix. A relativistic position operator that satisfies all the properties of its non-relativistic analogue does not exist. Instead we propose two causality-preserving positive operator-valued measures (POVM) that are based on projections onto one-particle and antiparticle spaces, and on the normalized energy density. They predict identical expectation values for position. The variances differ by less than a quarter of the squared de Broglie wavelength and coincide in the non-relativistic limit. Since the resulting statistical moment operators are not canonical conjugates of momentum, the Heisenberg uncertainty relations need not hold. Indeed, the energy density POVM leads to a lower uncertainty. We reformulate the standard equations of the spin dynamics by explicitly considering the charge-independent acceleration, allowing a consistent treatment of backreaction and incl...

  18. 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.

  19. 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.

  20. A posteriori error estimator for adaptive local basis functions to solve Kohn-Sham density functional theory

    CERN Document Server

    Kaye, Jason; Yang, Chao

    2014-01-01

    Kohn-Sham density functional theory is one of the most widely used electronic structure theories. The recently developed adaptive local basis functions form an accurate and systematically improvable basis set for solving Kohn-Sham density functional theory using discontinuous Galerkin methods, requiring a small number of basis functions per atom. In this paper we develop residual-based a posteriori error estimates for the adaptive local basis approach, which can be used to guide non-uniform basis refinement for highly inhomogeneous systems such as surfaces and large molecules. The adaptive local basis functions are non-polynomial basis functions, and standard a posteriori error estimates for $hp$-refinement using polynomial basis functions do not directly apply. We generalize the error estimates for $hp$-refinement to non-polynomial basis functions. We demonstrate the practical use of the a posteriori error estimator in performing three-dimensional Kohn-Sham density functional theory calculations for quasi-2D...

  1. Optimizing the Structure of Tetracyanoplatinate (II): A Comparison of Relativistic Density Functional Theory Methods

    DEFF Research Database (Denmark)

    Dohn, Asmus Ougaard; Møller, Klaus Braagaard; Sauer, Stephan P. A.

    2013-01-01

    The geometry of tetracyanoplatinate(II) (TCP) has been optimized with density functional theory (DFT) calculations in order to compare different computational strategies. Two approximate scalar relativistic methods, i.e. the scalar zeroth-order regular approximation (ZORA) and non-relativistic ca...

  2. Local density of optical states in the band gap of a finite photonic crysta

    CERN Document Server

    Yeganegi, Elahe; Mosk, Allard P; 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 a new 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 crystal. As a result, we arrive at a model for the LDOS that is in two major items modified compared to the well-known expression for infinite crystals. Firstly, we modify the Dirac delta functions to become Lorentzians with a width set by the crystal size. Secondly, building on characterization of the fields versus frequency and position we calculated the fields in the band gap. We start from the fields at the band edges, interpolated in space and position, and incorporating the exponential damping in the band gap. We compare our proposed model to exact calculations in one dimension using the transfer matrix method and find very good agreement. Notably, we find that in finite crystals, the LDOS depends on frequency, on posi...

  3. Characteristics of local photonic state density in an infinite two-dimensional photonic crystal

    Institute of Scientific and Technical Information of China (English)

    Zhou Yun-Song; Wang Xue-Hua; Gu Ben-Yuan; Wang Fu-He

    2005-01-01

    The local density of photonic states (LDPS) of an infinite two-dimensional (2D) photonic crystal (PC) composed of rotated square-pillars in a 2D square lattice is calculated in terms of the plane-wave expansion method in a combination with the point group theory. The calculation results show that the LDPS strongly depends on the spatial positions.The variations of the LDPS as functions of the radial coordinate and frequency exhibit "mountain chain" structures with sharp peaks. The LDPS with large value spans a finite area and falls abruptly down to small value at the position corresponding to the interfaces between two different refractive index materials. The larger/lower LDPS occurs inward the lower/larger dielectric-constant medium. This feature can be well interpreted by the continuity of electricdisplacement vector at the interface. In the frequency range of the pseudo-PBG (photonic band gap), the LDPS keeps very low value over the whole Wiger-Seitz cell. It indicates that the spontaneous emission in 2D PCs cannot be prohibited completely, but it can be inhibited intensively when the resonate frequency falls into the pseudo-PBG.

  4. Local density approximation results for bond length alternation in the infinite polyyne chain

    Science.gov (United States)

    Bylaska, Eric; Weare, John

    1998-03-01

    Calculations for large even numbered carbon ring molecules and band structure calculations for the infinite polyyne chain within the local density approximation are reported. We studied the alternation of bond lengths in this system as a function of size. Particular focus is on alternation in the infinite system. For intermediate and large sized Cn rings with n satisfying n=4N (doubly-antiaromatic rings) there is a substantial first order Jahn-Teller distortion which decreases for large N. On the other hand, for Cn rings satisfying n=4N+2 (doubly-aromatic rings) the second order Jahn-Teller distortion does not produce bond length alternation even by the large C_42 ring. The persistance of aromatic behavior in the very large carbon rings manifests itself in the band structure calculations by making the amount of bond length alternation predicted for the infinite polyyne chain extremely sensitive to the numerical treatment of the Brillouin zone. We have shown that the infinite polyyne has a finite amount of bond length alternation but the condensation energy is very small.

  5. Effective mass density based topology optimization of locally resonant acoustic metamaterials for bandgap maximization

    Science.gov (United States)

    Yang, Xiong Wei; Lee, Joong Seok; Kim, Yoon Young

    2016-11-01

    Because effective material properties are essential concepts in the analyses of wave phenomena in metamaterials, they may also be utilized in the optimal design of metamaterials. In this work, we propose a topology optimization method directly using the Effective Mass Density (EMD) concept to maximize the first bandgaps of two-dimensional solid Locally Resonant Acoustic Metamaterials (LRAMs). When the first bandgap is characterized by the negative EMD, the bandgap maximization can be formulated efficiently as a topology optimization problem to broaden the frequency zone of the negative EMD values. In this work, EMD is calculated by considering the macroscopic isotropy of LRAMs in the long wavelength limit. To facilitate the analytical sensitivity analysis, we propose an elaborate calculation scheme of EMD. A sensitivity averaging technique is also suggested to guarantee the macroscopically isotropic behavior of the LRAMs. In the present study, the coating layer interfacing the core and the matrix of a ternary LRAM is chosen as the design region because it significantly influences the bandgap. By considering several numerical examples, the validity of this method is verified, and the effects of the mass constraint ratios on the optimized results are also investigated.

  6. RKKY interaction and local density of states for a triangular triple quantum dot system

    Science.gov (United States)

    Xiong, Yong-Chen; Wang, Wei-Zhong; Luo, Shi-Jun; Yang, Jun-Tao; Huang, Hai-Ming

    2016-02-01

    By means of the numerical renormalization group technique, we study the local density of states (LDOS) for a triangular triple quantum dot system, with two dots connected in parallel to the conduction leads. We find the location of the Ruderman-Kittel-Kasuya-Yosida (RKKY) peak identified in the LDOS could be illustrated as JRKKY = aΓ2 / U +bt22 / U, with U being the on-site Coulomb repulsion, Γ the dot-lead coupling, and t2 the hopping between the connected dots and the side dot. When the hopping between two connected dots t1 turns on, the spectrum weight of the RKKY peaks decreases due to the competition between the direct and the RKKY interactions. As t1 increases beyond a critical point t1c, two connected dots form a spin singlet, and decouple from both the side dot and the conduction leads, thus the Kondo and RKKY peaks could not be found. For t1 1 ≥t1 c, it drops to zero.

  7. Spontaneous-emission control by local density of states of photonic crystal cavity

    Institute of Scientific and Technical Information of China (English)

    Jiang Bin; Zhang Ye-Jin; Zhou Wen-Jun; Chen Wei; Liu An-Jin; Zheng Wan-Hua

    2011-01-01

    The local density of states (LDOS) of two-dimensional square lattice photonic crystal (PhC) defect cavity is studied. The results show that the LDOS in the centre is greatly reduced, while the LDOS at the point off the centre (for example, at the point (0.3a, 0.4a), where a is the lattice constant) is extremely enhanced. Further, the disordered radii are introduced to imitate the real devices fabricated in our experiment, and then we study the LDOS of PhC cavity with configurations of different disordered radii. The results show that in the disordered cavity, the LDOS in the centre is still greatly reduced, while the LDOS at the point (0.3a, 0.4a) is still extremely enhanced. It shows that the LDOS analysis is useful. When a laser is designed on the basis of the square lattice PhC rod cavity, in order to enhance the spontaneous emission, the active materials should not be inserted in the centre of the cavity, but located at positions off the centre. So LDOS method gives a guide to design the positions of the active materials (quantum dots) in the lasers.

  8. 2D image of local density and magnetic fluctuations from line-integrated interferometry-polarimetry measurements

    Energy Technology Data Exchange (ETDEWEB)

    Lin, L., E-mail: lianglin@ucla.edu; Ding, W. X.; Brower, D. L. [Department of Physics and Astronomy, University of California Los Angeles, Los Angeles, California 90095 (United States)

    2014-11-15

    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.

  9. 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.

  10. Bond length and local energy density property connections for non-transition-metal oxide-bonded interactions.

    Science.gov (United States)

    Gibbs, G V; Spackman, M A; Jayatilaka, D; Rosso, K M; Cox, D F

    2006-11-01

    For a variety of molecules and earth materials, the theoretical local kinetic energy density, G(r(c)), increases and the local potential energy density, V(r(c)), decreases as the M-O bond lengths (M = first- and second-row metal atoms bonded to O) decrease and the electron density, rho(r(c)), accumulates at the bond critical points, r(c). Despite the claim that the local kinetic energy density per electronic charge, G(r(c))/rho(r(c)), classifies bonded interactions as shared interactions when less than unity and closed-shell when greater, the ratio was found to increase from 0.5 to 2.5 au as the local electronic energy density, H(r(c)) = G(r(c)) + V(r(c)), decreases and becomes progressively more negative. The ratio appears to be a measure of the character of a given M-O bonded interaction, the greater the ratio, the larger the value of rho(r(c)), the smaller the coordination number of the M atom and the more shared the bonded interaction. H(r(c))/rho(r(c)) versus G(r(c))/rho(r(c)) scatter diagrams categorize the M-O bonded interactions into domains with the local electronic energy density per electron charge, H(r(c))/rho(r(c)), tending to decrease as the electronegativity differences for the bonded pairs of atoms decrease. The values of G(r(c)) and V(r(c)), estimated with a gradient-corrected electron gas theory expression and the local virial theorem, are in good agreement with theoretical values, particularly for the bonded interactions involving second-row M atoms. The agreement is poorer for shared C-O and N-O bonded interactions.

  11. Momentum and charge transport in non-relativistic holographic fluids from Ho\\v{r}ava gravity

    CERN Document Server

    Davison, Richard A; Janiszewski, Stefan; Kaminski, Matthias

    2016-01-01

    We study the linearized transport of transverse momentum and charge in a conjectured field theory dual to a black brane solution of Ho\\v{r}ava 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 Ho\\v{r}ava gravity. When possible, as a check on our methods and results, we use the covariant Einstein-Aether formulation of Ho\\v{r}ava gravity, along with field redefinitions, to re-derive our results from a relativistic bulk theory.

  12. Photoproduction of Prompt $J/\\psi$ in Association with a $c\\bar{c}$ Pair within the Framework of Non-relativistic QCD at the International Linear Collider

    CERN Document Server

    Sun, Zhan; Zhang, Hong-Fei

    2015-01-01

    We present a systematical study on the photoproduction of prompt $J/\\psi$ in association with a $c\\bar{c}$ pair within the framework of non-relativistic QCD at the future high-energy $e^{+}e^{-}$ collider - International Linear Collider, including both direct and feed-down contributions. For direct $J/\\psi$ production, the states with color-octet $c\\bar{c}$-components, especially $|c\\bar{c}[^3P^{[8]}_J]g\\rangle$ and $|c\\bar{c}[^1S^{[8]}_0]g\\rangle$, provide dominant contribution to the production cross-section, which are about sixty times over that of the color-singlet state $|c\\bar{c}[^3S^{[1]}_1]\\rangle$. This is clearly shown by the transverse momentum ($p_t$) and rapidity distributions. The feed-down contribution from $\\psi'$ and $\\chi_{cJ}$ ($J=0,1,2$) is sizable, which is $\\sim 20\\%$ to the total prompt cross-section. Besides the yields, we also calculate the $J/\\psi$ polarization parameter $\\lambda$. In small $p_t$ region, the polarization of the prompt $J/\\psi$ is longitudinal due to $|c\\bar{c}[^3P^{[...

  13. Properties of Z=120 nuclei and the \\alpha-decay chains of the (292,304)120 isotopes using relativistic and non-relativistic formalisms

    CERN Document Server

    Ahamad, Shakeb; Patra, S K

    2012-01-01

    The ground state and first intrinsic excited state of superheavy nuclei with Z=120 and N=160-204 are investigated using both non-relativistic Skyrme-Hartree-Fock and the axially deformed Relativistic Mean Field formalisms. We employ a simple BCS pairing approach for calculating the energy contribution from pairing interaction. The results for isotopic chain of binding energy, quadrupole deformation parameter, two neutron separation energies and some other observables are compared with the FRDM and some recent macroscopic-microscopic calculations. We predict superdeformed ground state solutions for almost all the isotopes. Considering the possibility of magic neutron number, two different mode of \\alpha-decay chains (292)120 and (304)120 are also studied within these frameworks. The Q_{\\alpha}-values and the half-life T^{\\alpha}_{1/2} for these two different mode of decay chains are compared with FRDM and recent macroscopic-microscopic calculations. The calculation is extended for the \\alpha-decay chains of 29...

  14. ``Pheudo-cyclotron'' radiation and transport of non-relativistic particles in inhomogeneous sub-Larmor-scale electro-magnetic fields

    Science.gov (United States)

    Keenan, Brett; Ford, Alex; Medvedev, Mikhail

    2014-10-01

    Plasma turbulence in some astrophysical objects (e.g., weakly magnetized collisionless shocks in GRBs and SN) has small-scale electro-magnetic field fluctuations. We study spectral characteristics of radiation produced by particles moving in such turbulence and relate it to transport properties (diffusion) of these particles. It was shown earlier that relativistic particles produce jitter radiation, which spectral characteristics are markedly different from synchrotron radiation. Here we study radiation produced by non-relativistic particles. Unlike radiation in homogeneous field, which spectrum consists of a single cyclotron harmonic, radiation in the sub-Larmor-scale turbulence reflects statistical properties of the underlying magnetic field. We present both analytical estimates and results of ab initio numerical simulations. We also show that particle propagation in such turbulence is diffusive and evaluate the diffusion coefficient. We demonstrate that the diffusion coefficient correlates with some spectral parameters. These results can be very valuable for remote diagnostics of laboratory and astrophysical plasmas. Supported by grant DOE grant DE-FG02-07ER54940 and NSF grant AST-1209665.

  15. Theoretical Electron Density Distributions for Fe- and Cu-Sulfide Earth Materials: A Connection between Bond Length, Bond Critical Point Properties, Local Energy Densities, and Bonded Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Gibbs, Gerald V.; Cox, David F.; Rosso, Kevin M.; Ross, Nancy L.; Downs, R. T.; Spackman, M. A.

    2007-03-01

    Bond critical point and local energy density properties together with net atomic charges were calculated for theoretical electron density distributions, F(r), generated for a variety of Fe and Cu metal-sulfide materials with high- and low-spin Fe atoms in octahedral coordination and high-spin Fe atoms in tetrahedral coordination. The electron density, F(rc), the Laplacian, 32F(rc), the local kinetic energy, G(rc), and the oxidation state of Fe increase as the local potential energy density, V(rc), the Fe-S bond lengths, and the coordination numbers of the Fe atoms decrease. The properties of the bonded interactions for the octahedrally coordinated low-spin Fe atoms for pyrite and marcasite are distinct from those for high-spin Fe atoms for troilite, smythite, and greigite. The Fe-S bond lengths are shorter and the values of F(rc) and 32F(rc) are larger for pyrite and marcasite, indicating that the accumulation and local concentration of F(r) in the internuclear region are greater than those involving the longer, high-spin Fe-S bonded interactions. The net atomic charges and the bonded radii calculated for the Fe and S atoms in pyrite and marcasite are also smaller than those for sulfides with high-spin octahedrally coordinated Fe atoms. Collectively, the Fe-S interactions are indicated to be intermediate in character with the low-spin Fe-S interactions having greater shared character than the highspin interactions. The bond lengths observed for chalcopyrite together with the calculated bond critical point properties are consistent with the formula Cu+Fe3+S2. The bond length is shorter and the F(rc) value is larger for the FeS4 tetrahedron displayed by metastable greigite than those displayed by chalcopyrite and cubanite, consistent with a proposal that the Fe atom in greigite is tetravalent. S-S bond paths exist between each of the surface S atoms of adjacent slabs of FeS6 octahedra comprising the layer sulfide smythite, suggesting that the neutral Fe3S4 slabs are

  16. 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.

  17. Properties of Dark Matter Halos as a Function of Local Environment Density

    CERN Document Server

    Lee, Christoph T; Behroozi, Peter; Rodriguez-Puebla, Aldo; Hellinger, Doug; Dekel, Avishai

    2016-01-01

    We study how properties of discrete dark matter halos depend on halo environment, characterized by the mass density around the halos on scales from 0.5 to 16 $\\hmpc$. We find that low mass halos (those less massive than the characteristic mass $M_{\\rm C}$ of halos collapsing at a given epoch) in high-density environments have lower accretion rates, lower spins, higher concentrations, and rounder shapes than halos in median density environments. Halos in median and low-density environments have similar accretion rates and concentrations, but halos in low density environments have lower spins and are more elongated. Halos of a given mass in high-density regions accrete material earlier than halos of the same mass in lower-density regions. All but the most massive halos in high-density regions are losing mass (i.e., being stripped) at low redshifts, which causes artificially lowered NFW scale radii and increased concentrations. Tidal effects are also responsible for the decreasing spins of low mass halos in high...

  18. Effect of various dietary nutrient density on the growth performance of local male ducks and their crosse

    Directory of Open Access Journals (Sweden)

    I.A.K Bintang

    1998-12-01

    Full Text Available Three hundred day-old male ducklings were allocated randomly into 12 treatment combinations in 3 x 4 factorial design . Three levels of dietary density ration i.e : Low(12% /2,000 kcal, medium (16%/2,500 kcal and high (20%/3,000 kcal and 2 breeds of local ducks Tegal (TT and Mojosari (MM and their crossbreds (Tegal x Mojosari (TM and Mojosari x Tegal (MT were applied. Each treatment combination consisted of5 replicates, each of 5 birds. The experiment was carried out for 8 weeks and measurements were weekly feed intake, body weight, weight and/or percentage of carcass, internal organs and abdominal fat. Results indicated that no significant interaction was detected between dietary nutrient density and the breeds of ducks on all parameters measured . Breeds of duck, as well as their crosses did not affect growth performance and other parameters . On the other hand, nutrient density influenced growth performance significantly, except for percentage of carcass and internal organs . In general, feed intake, body weight gain, feed efficiency, carcass weight and abdominal fat of ducks fed low density ration were significantly lower than those fed medium density, which were also lower than those fed high nutrient density diet . Weghtand length of intestine and kidney weight, of ducks fed low density diet however, were higher than the two other treatments .

  19. Influence of ion effects on a space charge limited field emission flow: from non-relativistic to ultra-relativistic regimes

    Science.gov (United States)

    Lin, M. C.; Chang, P. C.; Lu, P. S.; Verboncoeur, J. P.

    2011-10-01

    Influence of ion effects on a space charge limited field emission flow has been studied systematically, by employing both analytical and numerical approaches. In our model, the field emission of electrons is described by the Fowler-Nordheim equation. The cathode plasma and surface properties are considered within the framework of an effective work function approximation. Ionization effects at the anode as well as electron space-charge effects are described by Poisson's equation coupled with the energy conservation equation including the relativistic effects. The calculations are carried out self-consistently to yield the steady states of the bipolar flow. The electric field on the cathode surface is found to be saturated due to space charge effects and is determined by the effective work function approximately. In addition, the upstream ion current bas been treated as a tuning parameter. It is found that the field emission currents in the presence of saturated ion currents can be enhanced to be nearly 1.8, 1.5, and 1.4 times of the cases with no upstream ion current in non-relativistic, intermediate, and ultra-relativistic regimes, respectively. The solutions have also been verified using 1D PIC simulations, as implemented in the OOPD1 code developed by PTSG of UC Berkeley. Work supported by the National Science Council, Taiwan, R.O.C. under Grant No. NSC 96-2112-M-030-004-MY3, National Center for Theoretical Sciences, and National Center for High-Performance Computing, Taiwan, ROC which provides the computing resources.

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

    NARCIS (Netherlands)

    Bukovinszky, T.; Gols, R.; Kamp, A.; Oliveira-Domingues, de F.; Hamback, P.A.; Jongema, Y.; Bezemer, T.M.; Dicke, M.; Dam, N.; 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

  1. Effects of stocking density on growth performance, carcass yield, and immune status of a local chicken breed.

    Science.gov (United States)

    Tong, H B; Lu, J; Zou, J M; Wang, Q; Shi, S R

    2012-03-01

    An experiment was conducted to evaluate the effect of stocking density on growth performance, carcass yield, and immune status of a local chicken breed. In total, 840 one-day-old male Suqin yellow chickens were placed into 4-m(2) cages in groups of 50 (low), 70 (medium), or 90 (high) birds. Each treatment was represented by 4 replicates (cages). The cages measured 2.84 × 1.42 m; half of the area of the cage (2 m(2)) was used from 1 to 28 d and the whole cage was used from 29 to 42 d. Stocking densities were 25, 35, and 45 birds/m(2) from 1 to 28 d and 12.5, 17.5, and 22.5 birds/m(2) from 29 to 42 d (low, medium, and high, respectively). Final production (live bird mass after fasting) per unit area was 14.46, 19.46, and 24.23 kg/m(2), respectively, at 42 d of age. Several immune parameters were evaluated, and the growth performance, carcass yield, and meat quality were determined. Body weight at 28 and 42 d of age was significantly reduced as the stocking density increased (P 0.05). The thigh yield of chickens in the medium-density group improved significantly (P 0.05) by the stocking density, but pH values increased slightly as density increased. No significant difference was noted in the immunological parameters, but the blood total protein and potassium were significantly affected by stocking density (P < 0.05). The findings of this study suggest that increasing the stocking density advantageously affected feed/gain and decreased the final BW, whereas no evidence was found that stocking density caused changes in any of the measured immune parameters.

  2. On the global and local nuclear stopping in mass asymmetric nuclear collisions using density-dependent symmetry energy

    Science.gov (United States)

    Amandeep, K.; Suneel, K.

    2017-09-01

    The present theoretical calculations have been performed within the framework of IQMD model to study a particular set of mass symmetric and asymmetric reactions (keeping total mass fixed) over a wide range of incident energies and colliding geometries. It has been observed that global as well as local nuclear stopping is influenced by the mass asymmetry of the reaction strongly. Influence of density-dependent symmetry energy has been observed in local nuclear stopping. Global stopping decreases with the increase in colliding geometry. Effect of colliding geometry on nuclear stopping is more at higher energies.

  3. Obtaining Highly Excited Eigenstates of Many-Body Localized Hamiltonians by the Density Matrix Renormalization Group Approach.

    Science.gov (United States)

    Khemani, Vedika; Pollmann, Frank; Sondhi, S L

    2016-06-17

    The eigenstates of many-body localized (MBL) Hamiltonians exhibit low entanglement. We adapt the highly successful density-matrix renormalization group method, which is usually used to find modestly entangled ground states of local Hamiltonians, to find individual highly excited eigenstates of MBL Hamiltonians. The adaptation builds on the distinctive spatial structure of such eigenstates. We benchmark our method against the well-studied random field Heisenberg model in one dimension. At moderate to large disorder, the method successfully obtains excited eigenstates with high accuracy, thereby enabling a study of MBL systems at much larger system sizes than those accessible to exact-diagonalization methods.

  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. Localization of the Proton Pump of Corn Coleoptile Microsomal Membranes by Density Gradient Centrifugation 1

    Science.gov (United States)

    Mandala, Suzanne; Mettler, Irvin J.; Taiz, Lincoln

    1982-01-01

    Previous studies characterizing an ATP-dependent proton pump in microsomal membrane vesicles of corn coleoptiles led to the conclusion that the proton pump was neither mitochondrial nor plasma membrane in origin (Mettler, Mandala, Taiz 1982 Plant Physiol 70: 1738-1742). To facilitate positive identification of the vesicles, corn coleoptile microsomal membranes were fractionated on linear sucrose and dextran gradients, with ATP-dependent [14C]methylamine uptake as a probe for proton pumping. On sucrose gradients, proton pumping activity exhibited a density of 1.11 grams/cubic centimeter and was coincident with the endoplasmic reticulum (ER). In the presence of high magnesium, the ER shifted to a heavier density, while proton pumping activity showed no density shift. On linear dextran gradients, proton pumping activity peaked at a lighter density than the ER. The proton pump appears to be electrogenic since both [14C]SCN− uptake and 36Cl− uptake activities coincided with [14C] methylamine uptake on dextran gradients. On the basis of density and transport properties, we conclude that the proton pumping vesicles are probably derived from the tonoplast. Nigericin-stimulated ATPase activity showed a broad distribution which did not coincide with any one membrane marker. PMID:16662755

  6. 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.

  7. Seizure onset zone localization from ictal high-density EEG in five patients

    OpenAIRE

    Staljanssens, Willeke; Strobbe, Gregor; Van Holen, Roel; Birot, Gwénaël; Michel, Christophe M; Seeck, Margitta; Vandenberghe, Stefaan; Vulliémoz, Serge; van Mierlo, Pieter

    2015-01-01

    Rationale Because epilepsy is a network disease, localization of the exact seizure onset zone (SOZ) is difficult because the epileptic activity can spread to other regions within milliseconds. Functional connectivity metrics quantify how the activity in different brain regions is interrelated. In the past, it has been shown that functional connectivity analysis of ictal intracranial EEG (icEEG) recordings can help with SOZ localization in patients with focal epilepsy (van Mierlo et al., 20...

  8. 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.

  9. The local space density of Sb-Sdm galaxies as function of their scalesize, surface brightness and luminosity

    CERN Document Server

    De Jong, R S; Jong, Roelof S. de; Lacey, Cedric

    2000-01-01

    We investigate the dependence of the local space density of spiral galaxies on luminosity, scalesize and surface brightness. We derive bivariate space density distributions in these quantities from a sample of about 1000 Sb-Sdm spiral galaxies, corrected for selection effects in luminosity and surface brightness. The structural parameters of the galaxies were corrected for internal extinction using a description depending on galaxy surface brightness. We find that the bivariate space density distribution of spiral galaxies in the (luminosity, scalesize)-plane is well described by a Schechter luminosity function in the luminosity dimension and a log-normal scale size distribution at a given luminosity. This parameterization of the scalesize distribution was motivated by a simple model for the formation of disks within dark matter halos, with halos acquiring their angular momenta through tidal torques from neighboring objects, and the disk specific angular momentum being proportional to that of the parent halo....

  10. Simple models for complex systems: exploiting the relationship between local and global densities.

    Science.gov (United States)

    Pascual, Mercedes; Roy, Manojit; Laneri, Karina

    2011-01-01

    Simple temporal models that ignore the spatial nature of interactions and track only changes in mean quantities, such as global densities, are typically used under the unrealistic assumption that individuals are well mixed. These so-called mean-field models are often considered overly simplified, given the ample evidence for distributed interactions and spatial heterogeneity over broad ranges of scales. Here, we present one reason why such simple population models may work even when mass-action assumptions do not hold: spatial structure is present but it relates to global densities in a special way. With an individual-based predator-prey model that is spatial and stochastic, and whose mean-field counterpart is the classic Lotka-Volterra model, we show that the global densities and densities of pairs (or spatial covariances) establish a bi-power law at the stationary state and also in their transient approach to this state. This relationship implies that the dynamics of global densities can be written simply as a function of those densities alone without invoking pairs (or higher order moments). The exponents of the bi-power law for the predation rate exhibit a remarkable robustness to changes in model parameters. Evidence is presented for a connection of our findings to the existence of a critical phase transition in the dynamics of the spatial system. We discuss the application of similar modified mean-field equations to other ecological systems for which similar transitions have been described, both in models and empirical data.Electronic supplementary material The online version of this article (doi:10.1007/s12080-011-0116-2) contains supplementary material, which is available to authorized users.

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

    CERN Document Server

    Barrera-Ballesteros, Jorge K; 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; Lopes, Alexandre Roman; Lane, Richard R

    2016-01-01

    We present the stellar surface mass density {\\it vs.} gas metallicity ($\\Sigma_*-Z$) relation for more than 500,000 spatially-resolved star-forming resolution elements (spaxels) from a sample of 653 disk 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 four in metallicity. We show that this local relationship can simultaneously reproduce two well-known properties of disk galaxies: their global mass-metallicity relationship {\\it and} their radial metallicity gradients. We also find that the $\\Sigma_* - Z$ 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 disk galaxie...

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

    Science.gov (United States)

    Sanyal, Tanmoy; Shell, M. Scott

    2016-07-01

    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.

  13. 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.

  14. The Stellar Number Density Distribution in the Local Solar Neighborhood is North-South Asymmetric

    Energy Technology Data Exchange (ETDEWEB)

    Yanny, Brian [Fermilab; Gardner, Susan [Kentucky U.

    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.

  15. Autonomous Bacterial Localization and Gene Expression Based on Nearby Cell Receptor Density

    Science.gov (United States)

    2013-01-22

    Upon detection of B1–5 mM AI-2, these cells express T7 polymerase that amplifies the native lsr operon response by overexpressing DsRed (see...2 for initiating gene expression (lsr operon ). (B) Indicated densities of PCI-15B or HEK293 cells were seeded to wells followed by mouse anti-EGFR

  16. Performance of a local electron density trigger to select extensive air showers at sea level

    Science.gov (United States)

    Abbas, T.; Madani, J.; Ashton, F.

    1985-01-01

    Time coincident voltage pulses in the two closely space (1.6m) plastic scintillators were recorded. Most of the recorded events are expeted to be due to electrons in cosmic ray showers whose core fall at some distance from the detectors. This result is confirmed from a measurement of the frequency distribution of the recorded density ratios of the two scintillators.

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

    Science.gov (United States)

    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.; Petrzilka, V.; Shaw, A.; Stepanov, I.; Sips, A. C. C.; Van Eester, D.; Wauters, T.; JET contributors, the; the ASDEX Upgrade Team; the DIII-D Team; ITPA ‘Integrated Operation Scenarios' members, the; experts

    2016-04-01

    Experiments have been performed under the coordination of the International Tokamak Physics Activity (ITPA) on several tokamaks, including ASDEX Upgrade (AUG), JET and DIII-D, to characterize the increased Ion cyclotron range of frequency (ICRF) antenna loading achieved by optimizing the position of gas injection relative to the RF antennas. On DIII-D, AUG and JET (with the ITER-Like Wall) a 50% increase in the antenna loading was observed when injecting deuterium in ELMy H-mode plasmas using mid-plane inlets close to the powered antennas instead of divertor injection and, with smaller improvement when using gas inlets located at the top of the machine. The gas injection rate required for such improvements (~0.7  ×  1022 el s-1 in AUG, ~1.0  ×  1022 el s-1 in JET) is compatible with the use of this technique to optimize ICRF heating during the development of plasma scenarios and no degradation of confinement was observed when using the mid-plane or top inlets compared with divertor valves. An increase in the scrape-off layer (SOL) density was measured when switching gas injection from divertor to outer mid-plane or top. On JET and DIII-D, the measured SOL density increase when using main chamber puffing is consistent with the antenna coupling resistance increase provided that the distance between the measurement lines of sight and the injection location is taken into account. Optimized gas injection was also found to be beneficial for reducing tungsten (W) sputtering at the AUG antenna limiters, and also to reduce slightly the W and nickel (Ni) content in JET plasmas. Modeling the specific effects of divertor/top/mid-plane injection on the outer mid-plane density was carried out using both the EDGE2D-EIRENE and EMC3-EIRENE plasma boundary code packages; simulations indeed indicate that outer mid-plane gas injection maximizes the density in the mid-plane close to the injection point with qualitative agreement with the AUG SOL density measurements

  18. Local charge neutrality condition, Fermi level and majority carrier density of a semiconductor with multiple localized multi-level intrinsic/impurity defects

    Institute of Scientific and Technical Information of China (English)

    Ken K. Chin

    2011-01-01

    For semiconductors with localized intrinsic/impurity defects,intentionally doped or unintentionally incorporated,that have multiple transition energy levels among charge states,the general formulation of the local charge neutrality condition is given for the determination of the Fermi level and the majority carrier density.A graphical method is used to illustrate the solution of the problem.Relations among the transition energy levels of the multi-level defect are derived using the graphical method.Numerical examples are given for p-doping of the CdTe thin film used in solar panels and semi-insulating Si to illustrate the relevance and importance of the issues discussed in this work.

  19. Individual differences in local gray matter density are associated with differences in affective and cognitive empathy.

    Science.gov (United States)

    Eres, Robert; Decety, Jean; Louis, Winnifred R; Molenberghs, Pascal

    2015-08-15

    The understanding of empathy from a neuroscientific perspective has recently developed quickly, with numerous functional MRI studies associating different brain regions with different components of empathy. A recent meta-analysis across 40 fMRI studies revealed that affective empathy is most often associated with increased activity in the insula, whereas cognitive empathy is most often associated with activity in the midcingulate cortex and adjacent dorsomedial prefrontal cortex (MCC/dmPFC). To date, however, it remains unclear whether individual differences in brain morphometry in these regions underlie different dispositions in affective and cognitive empathy. In order to test this hypothesis, voxel-based morphometry (VBM) was used to examine the extent to which gray matter density predicts scores from an established empathy measure (Questionnaire of Cognitive and Affective Empathy; QCAE). One hundred and seventy-six participants completed the QCAE and underwent MRI in order to acquire a high-resolution, three-dimensional T1-weighted structural scans. A factor analysis of the questionnaire scores revealed two distinct factors of empathy, affective and cognitive, which confirmed the validity of the QCAE. VBM results revealed gray matter density differences associated with the distinct components of empathy. Higher scores on affective empathy were associated with greater gray matter density in the insula cortex and higher scores of cognitive empathy were associated with greater gray matter density in the MCC/dmPFC. Taken together, these results provide validation for empathy being a multi-component construct, suggesting that affective and cognitive empathy are differentially represented in brain morphometry as well as providing convergent evidence for empathy being represented by different neural and structural correlates. Copyright © 2015 Elsevier Inc. All rights reserved.

  20. Local variability in population structure and density of the protogynous reef herbivore Sparisoma viride

    NARCIS (Netherlands)

    van Rooij, J.M.; Kok, J.P; Videler, J.J

    We compare the (relative) abundance of life phases [juveniles (JU), initial phase (IF) and terminal phase (TP) fish], social categories (territorial and group adults), and fish following alternative mating styles, in three local populations of the protogynous reef herbivore, Sparisoma viride, on the

  1. Local variability in population structure and density of the protogynous reef herbivore Sparisoma viride

    NARCIS (Netherlands)

    van Rooij, J.M.; Kok, J.P; Videler, J.J

    1996-01-01

    We compare the (relative) abundance of life phases [juveniles (JU), initial phase (IF) and terminal phase (TP) fish], social categories (territorial and group adults), and fish following alternative mating styles, in three local populations of the protogynous reef herbivore, Sparisoma viride, on the

  2. Increased upconversion quantum yield in photonic structures due to local field enhancement and modification of the local density of states--a simulation-based analysis.

    Science.gov (United States)

    Herter, Barbara; Wolf, Sebastian; Fischer, Stefan; Gutmann, Johannes; Bläsi, Benedikt; Goldschmidt, Jan Christoph

    2013-09-09

    In upconversion processes, two or more low-energy photons are converted into one higher-energy photon. Besides other applications, upconversion has the potential to decrease sub-band-gap losses in silicon solar cells. Unfortunately, upconverting materials known today show quantum yields, which are too low for this application. In order to improve the upconversion quantum yield, two parameters can be tuned using photonic structures: first, the irradiance can be increased within the structure. This is beneficial, as upconversion is a non-linear process. Second, the rates of the radiative transitions between ionic states within the upconverter material can be altered due to a varied local density of photonic states. In this paper, we present a theoretical model of the impact of a photonic structure on upconversion and test this model in a simulation based analysis of the upconverter material β -NaYF(4):20% Er(3+) within a dielectric waveguide structure. The simulation combines a finite-difference time-domain simulation model that describes the variations of the irradiance and the change of the local density of photonic states within a photonic structure, with a rate equation model of the upconversion processes. We find that averaged over the investigated structure the upconversion luminescence is increased by a factor of 3.3, and the upconversion quantum yield can be improved in average by a factor of 1.8 compared to the case without the structure for an initial irradiance of 200 Wm(-2).

  3. The luminosity-specific Planetary Nebulae density in Local Group galaxies

    Science.gov (United States)

    Corradi, R. L. M.; Buzzoni, A.; Arnaboldi, M.

    The value of the α ratio, the number of PNe per unit bolometric luminosity in a galaxy, is computed using stellar population synthesis models covering the whole range of Hubble types of galaxies.Model predictions are compared with the PNe counts in the Local Group, which indicate a fairly constant value of α - between 1 and 6 PNe per 10^7 solar luminosities - along the Hubble sequence.

  4. Evaluation of global and local critical current densities in 122-type iron-based superconducting tapes

    Energy Technology Data Exchange (ETDEWEB)

    Pyon, Sunseng, E-mail: pyon@ap.t.u-tokyo.ac.jp; Mine, Akinori; Suwa, Takahiro; Tamegai, Tsuyoshi

    2016-11-15

    Highlights: • (Ba,K)Fe{sub 2}As{sub 2} superconducting pressed tapes are fabricated. • We found an intriguing anisotropy in J{sub c} determined by magnetic measurements, which is related to microcrack structures affecting the local J{sub c}. • Microcrack structures are directly observed by magneto-optical imaging technique. - Abstract: We demonstrate the fabrication of (Ba,K)Fe{sub 2}As{sub 2} superconducting pressed tapes through a powder-in-tube method using uniaxial cold pressing technique, and evaluate global and local J{sub c} by several physical measurements. We found an intriguing anisotropy in J{sub c} determined by magnetic measurements, which is related to microcrack structures affecting the local J{sub c}. The maximum J{sub c} estimated from magnetization measurements has reached ∼1.9 × 10{sup 5} A/cm{sup 2} under self-field at 4.2 K. Furthermore, microcrack structures are directly observed by magneto-optical imaging technique.

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

    Energy Technology Data Exchange (ETDEWEB)

    Arnold, Thorsten; Siegmund, Marc; Pankratov, Oleg, E-mail: thorsten.arnold@physik.uni-erlangen.de, E-mail: marc.siegmund@physik.uni-erlangen.de [Lehrstuhl fuer Theoretische Festkoerperphysik, Universitaet Erlangen-Nuernberg, Staudtstrasse 7 B2, D-91058 Erlangen (Germany)

    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{sub 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{sub 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{sub S}{sup 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{sub S} the stable phase changes from an unpolarized Fermi liquid to an antiferromagnetic Wigner crystal and finally to a fully polarized Fermi liquid.

  6. 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.

  7. Highly accurate local pseudopotentials of Li, Na, and Mg for orbital free density functional theory

    Science.gov (United States)

    Legrain, Fleur; Manzhos, Sergei

    2015-02-01

    We present a method to make highly accurate pseudopotentials for use with orbital-free density functional theory (OF-DFT) with given exchange-correlation and kinetic energy functionals, which avoids the compounding of errors of Kohn-Sham DFT and OF-DFT. The pseudopotentials are fitted to reference (experimental or highly accurate quantum chemistry) values of interaction energies, geometries, and mechanical properties, using a genetic algorithm. This can enable routine large-scale ab initio simulations of many practically relevant materials. Pseudopotentials for Li, Na, and Mg resulting in accurate geometries and energies of different phases as well as of vacancy formation and bulk moduli are presented as examples.

  8. Smoothness and asymptotic estimates of densities for SDEs with locally smooth coefficients and applications to square root-type diffusions

    CERN Document Server

    De Marco, Stefano

    2011-01-01

    We study smoothness of densities for the solutions of SDEs whose coefficients are smooth and nondegenerate only on an open domain $D$. We prove that a smooth density exists on $D$ and give upper bounds for this density. Under some additional conditions (mainly dealing with the growth of the coefficients and their derivatives), we formulate upper bounds that are suitable to obtain asymptotic estimates of the density for large values of the state variable ("tail" estimates). These results specify and extend some results by Kusuoka and Stroock [J. Fac. Sci. Univ. Tokyo Sect. IA Math. 32 (1985) 1--76], but our approach is substantially different and based on a technique to estimate the Fourier transform inspired from Fournier [Electron. J. Probab. 13 (2008) 135--156] and Bally [Integration by parts formula for locally smooth laws and applications to equations with jumps I (2007) The Royal Swedish Academy of Sciences]. This study is motivated by existing models for financial securities which rely on SDEs with non-...

  9. The power spectra of CMB and density fluctuations seeded by local cosmic strings

    CERN Document Server

    Contaldi, C; Magueijo, J; Contaldi, Carlo; Hindmarsh, Mark; Magueijo, Joao

    1999-01-01

    We compute the power spectra in the cosmic microwave background and cold dark matter (CDM) fluctuations seeded by strings, using the largest string simulations performed so far to evaluate the two-point functions of their stress energy tensor. We find that local strings differ from global defects in that the scalar components of the stress-energy tensor dominate over vector and tensor components. This result has far reaching consequences. We find that cosmic strings exhibit a single Doppler peak of acceptable height at high although the CDM power spectrum in the ``standard'' cosmology (flat geometry, zero cosmological constant, 5% baryonic component) is the wrong shape to fit large scale structure data.

  10. Local control theory using trajectory surface hopping and linear-response time-dependent density functional theory.

    Science.gov (United States)

    Curchod, Basile F E; Penfold, Thomas J; Rothlisberger, Ursula; Tavernelli, Ivano

    2013-01-01

    The implementation of local control theory using nonadiabatic molecular dynamics within the framework of linear-response time-dependent density functional theory is discussed. The method is applied to study the photoexcitation of lithium fluoride, for which we demonstrate that this approach can efficiently generate a pulse, on-the-fly, able to control the population transfer between two selected electronic states. Analysis of the computed control pulse yields insights into the photophysics of the process identifying the relevant frequencies associated to the curvature of the initial and final state potential energy curves and their energy differences. The limitations inherent to the use of the trajectory surface hopping approach are also discussed.

  11. Decay dynamics of quantum dots influenced by the local density of optical states of two-dimensional photonic crystal membranes

    DEFF Research Database (Denmark)

    Julsgaard, Brian; Johansen, Jeppe; Stobbe, Søren

    2008-01-01

    We have performed time-resolved spectroscopy on InAs quantum dot ensembles in photonic crystal membranes. The influence of the photonic crystal is investigated by varying the lattice constant systematically. We observe a strong slow down of the quantum dots’ spontaneous emission rates as the two-...... the bandgap in good agreement with local density of states calculations.......We have performed time-resolved spectroscopy on InAs quantum dot ensembles in photonic crystal membranes. The influence of the photonic crystal is investigated by varying the lattice constant systematically. We observe a strong slow down of the quantum dots’ spontaneous emission rates as the two...

  12. Lattice specific heat and local density of states of Ni-based dilute alloys at low temperature

    Indian Academy of Sciences (India)

    P D Semlaty; Kapil Dev; P N Ram

    2006-06-01

    A detailed theoretical study of the low-temperature lattice specific heat of Ni-based dilute alloys has been carried out. Lattice Green's function method has been used to calculate the local density of states of substitutional impurities and lattice specific heat in different alloys. The resonance condition has been investigated for possible occurrence of resonance modes. Except in NiCr and NiMn, low-frequency resonance modes have been obtained in all the alloys. However, no localized mode was obtained. The impurity-induced increase in lattice specific heat is explained on the basis of the obtained resonance modes. The calculation shows an excellent agreement with the measured lattice specific heat in these alloys

  13. Time-Local Equation for the Exact Optimized Effective Potential in Time-Dependent Density Functional Theory

    Science.gov (United States)

    Liao, Sheng-Lun; Ho, Tak-San; Rabitz, Herschel; Chu, Shih-I.

    2017-06-01

    A long-standing challenge in the time-dependent density functional theory is to efficiently solve the exact time-dependent optimized effective potential (TDOEP) integral equation derived from orbital-dependent functionals, especially for the study of nonadiabatic dynamics in time-dependent external fields. In this Letter, we formulate a completely equivalent time-local TDOEP equation that admits a unique real-time solution in terms of time-dependent Kohn-Sham and effective memory orbitals. The time-local formulation is numerically implemented, with the incorporation of exponential memory loss to address the unaccounted for correlation component in the exact-exchange-only functional, to enable the study of the many-electron dynamics of a one-dimensional hydrogen chain. It is shown that the long time behavior of the electric dipole converges correctly and the zero-force theorem is fulfilled in the current implementation.

  14. Self-consistent local-density approximation with model Coulomb pair-correlation functions for electronic systems

    Science.gov (United States)

    Gritsenko, O. V.; Rubio, A.; Balbás, L. C.; Alonso, J. A.

    1993-03-01

    The model Coulomb pair-correlation functions proposed several years ago by Gritsenko, Bagaturyants, Kazansky, and Zhidomirov are incorporated into the self-consistent local-density approximation (LDA) scheme for electronic systems. Different correlation functions satisfying well-established local boundary conditions and integral conditions have been tested by performing LDA calculations for closed-shell atoms. Those correlation functions contain a single parameter which can be optimized by fitting the atomic correlation energies to empirical data. In this way, a single (universal) value of the parameter is found to give a very good fit for all the atoms studied. The results provide a substantial improvement of calculated correlation energies as compared to the usual LDA functionals and the scheme should be useful for molecular and cluster calculations.

  15. Signature of a Fano-resonance in a plasmonic meta-molecule's local density of optical states

    CERN Document Server

    Frimmer, Martin; Koenderink, A Femius

    2011-01-01

    We present measurements on plasmonic meta-molecules under local excitation using cathodoluminescence which show a spatial redistribution of the local density of optical states (LDOS) at the same frequency where a sharp spectral Fano-feature in the extinction cross section has been observed. Our analytical model shows that both near- and far-field effects arise due to interference of the same two eigenmodes of the system. We present quantitative insights both in a bare state, and in a dressed state picture that describe plasmonic Fano interference either as near-field amplitude transfer between three coupled bare states, or as interference of two uncoupled eigenmodes in the far field. We identify the same eigenmode causing a dip in extinction to strongly enhance the radiative LDOS, making it a promising candidate for spontaneous emission control.

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

    Energy Technology Data Exchange (ETDEWEB)

    Fanack, C.; Boucher, I.; Heuraux, S.; Leclert, G. [Centre National de la Recherche Scientifique (CNRS), 54 - Nancy (France). Lab. de Physique du Solide; Clairet, F.; Zou, X.L. [Association Euratom-CEA, Centre d`Etudes de Cadarache, 13 - Saint-Paul-lez-Durance (France). Dept. de Recherches sur la Fusion Controlee

    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). 18 refs.

  17. Quasi-1D van der Waals materials as high current-density local interconnects (Conference Presentation)

    Science.gov (United States)

    Stolyarov, Maxim; Aytan, Ece; Bloodgood, Matthew; Salguero, Tina T.; Balandin, Alexander A.

    2016-09-01

    The continuous downscaling of interconnect dimensions in combination with the introduction of low-k dielectrics has increased the number of heat dissipation, integration and reliability challenges in modern electronics. As a result, there is a strong need for new materials that have high current-carrying capacity for applications as nanoscale interconnects. In this presentation, we show that quasi-one-dimensional (1D) van der Waals metals such as TaSe3 have excellent breakdown current density exceeding that of 5 MA/cm2. This value is above that currently achievable in conventional copper or aluminum wires. The quasi-1D van der Waals materials are characterized by strong bonds along one dimension and weak van der Waals bonds along two other dimensions. The material for this study was grown by the chemical vapor transport (CVT) method. Both mechanical and chemical exfoliation methods were used to fabricate nanowires with lateral dimensions below 100 nm. The dimensions of the quasi-1D nanowires were verified with scanning electron microscopy (SEM) and atomic force microscopy (AFM). The metal (Ti/Au) contacts for the electrical characterization were deposited using electron beam evaporation (EBE). The measurements were conducted on a number of prototype interconnects with multiple electric contacts to ensure reproducibility. The obtained results suggest that quasi-1D van der Waals metals present a feasible alternative to conventional copper interconnects in terms of the current-carrying capacity and the breakdown current-density. This work was supported, in part, by the SRC and DARPA through STARnet Center for Function Accelerated nanoMaterial Engineering (FAME).

  18. 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

  19. Localized delivery of low-density lipoprotein docosahexaenoic acid nanoparticles to the rat brain using focused ultrasound.

    Science.gov (United States)

    Mulik, Rohit S; Bing, Chenchen; Ladouceur-Wodzak, Michelle; Munaweera, Imalka; Chopra, Rajiv; Corbin, Ian R

    2016-03-01

    Focused ultrasound exposures in the presence of microbubbles can achieve transient, non-invasive, and localized blood-brain barrier (BBB) opening, offering a method for targeted delivery of therapeutic agents into the brain. Low-density lipoprotein (LDL) nanoparticles reconstituted with docosahexaenoic acid (DHA) could have significant therapeutic value in the brain, since DHA is known to be neuroprotective. BBB opening was achieved using pulsed ultrasound exposures in a localized brain region in normal rats, after which LDL nanoparticles containing the fluorescent probe DiR (1,1'-Dioctadecyl-3,3,3',3'-Tetramethylindotricarbocyanine Iodide) or DHA were administered intravenously. Fluorescent imaging of brain tissue from rats administered LDL-DiR demonstrated strong localization of fluorescence signal in the exposed hemisphere. LDL-DHA administration produced 2 × more DHA in the exposed region of the brain, with a corresponding increase in Resolvin D1 levels, indicating DHA was incorporated into cells and metabolized. Histological evaluation did not indicate any evidence of increased tissue damage in exposed brain regions compared to normal brain. This work demonstrates that localized delivery of DHA to the brain is possible using systemically-administered LDL nanoparticles combined with pulsed focused ultrasound exposures in the brain. This technology could be used in regions of acute brain injury or as a means to target infiltrating tumor cells in the brain.

  20. The ALFALFA Hα Survey. I. Project Description and The Local Star-formation Rate Density from the Fall Sample

    Science.gov (United States)

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

    2016-06-01

    The ALFALFA Hα survey utilizes a large sample of H i-selected galaxies from the ALFALFA survey to study star formation (SF) in the local universe. ALFALFA Hα contains 1555 galaxies with distances between ˜20 and ˜100 Mpc. We have obtained continuum-subtracted narrowband Hα images and broadband R images for each galaxy, creating one of the largest homogeneous sets of Hα 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.

  1. 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.

  2. The HI Content of Galaxies as a Function of Local Density and Large-Scale Environment

    Science.gov (United States)

    Thoreen, Henry; Cantwell, Kelly; Maloney, Erin; Cane, Thomas; Brough Morris, Theodore; Flory, Oscar; Raskin, Mark; Crone-Odekon, Mary; ALFALFA Team

    2017-01-01

    We examine the HI content of galaxies as a function of environment, based on a catalogue of 41527 galaxies that are part of the 70% complete Arecibo Legacy Fast-ALFA (ALFALFA) survey. We use nearest-neighbor methods to characterize local environment, and a modified version of the algorithm developed for the Galaxy and Mass Assembly (GAMA) survey to classify large-scale environment as group, filament, tendril, or void. We compare the HI content in these environments using statistics that include both HI detections and the upper limits on detections from ALFALFA. The large size of the sample allows to statistically compare the HI content in different environments for early-type galaxies as well as late-type galaxies. This work is supported by NSF grants AST-1211005 and AST-1637339, the Skidmore Faculty-Student Summer Research program, and the Schupf Scholars program.

  3. INT-WFS + 2dFGRS The Local Space & Luminosity Density

    CERN Document Server

    Cross, N; Lemon, D; Cross, Nicholas; Driver, Simon; Lemon, David

    2000-01-01

    We discuss the quantification of the local galaxy population and the impact of the ``New Era of Wide-Field Astronomy'' on this field, and, in particular, systematic errors in the measurement of the Luminosity Function. New results from the 2dFGRS are shown in which some of these selection effects have been removed. We introduce an INT-WFS project which will further reduce the selection biases. We show that there is a correlation between the surface brightness and the luminosity of galaxies and that new technologies are having a big impact on this field. Finally selection criteria from different surveys are modelled and it is shown that some of the major selection effects are surface brightness selection effects.

  4. Heliconia acuminata reproductive success is independent of local floral density O sucesso reprodutivo de Heliconia acuminata é independente da densidade floral local

    Directory of Open Access Journals (Sweden)

    Emilio M. Bruna

    2004-09-01

    Full Text Available Reproductive plants in tropical forests are patchily distributed, with some in large aggregations of reproductive consepecifics while others are relatively isolated. This variation in floral density is hypothesized to have a major effect on plant reproductive success, since individuals in higher density neighborhoods can attract more or higher quality pollinators. We experimentally tested this hypothesis with populations of the understory herb Heliconia acuminata in central Amazonia. We created replicated plots in which reproductive plant density spanned the range of naturally occurring floral neighborhood size, then measured three surrogates of plant fitness in focal plants in each array. There was no significant difference between any of the three floral neighborhood treatments in total seed production, fruit set, or the number of seeds produced per fruit. Pollinator visitation rates to plants in all treatments were extremely low, with many plants not visited at all during the observation period. This could be because H. acuminata's hummingbird pollinators are unable to find the widely scattered reproductive plants, however this hypothesis appears unlikely. Instead, natural flowering plant densities may simply be below the threshold value at which neighborhood effects become important, even in "high-density" aggregations. Nutrient limitation, selective fruit abortion, and reproduction via male rather than female function may also be playing a role. We argue the absence of neighborhood effects may be a general phenomenon in central Amazonian forests, though additional experiments with other plant-pollinator systems are needed to determine the extent to which this hypothesis is supported.Plantas reprodutivas em florestas tropicas são distribuidas em manchas, com algumas em grandes agregações coespecíficas e outras relativamente isoladas. A hipótese é que esta variação na densidade de flores em um local tem um grande efeito no sucesso

  5. Evaluation of localized muscle fatigue using power spectral density analysis of the electromyogram

    Science.gov (United States)

    Lafevers, E. V.

    1974-01-01

    Surface electromyograms (EMGs) taken from three upper torso muscles during a push-pull task were analyzed by a power spectral density technique to determine the operational feasibility of the technique for identifying changes in the EMGs resulting from muscular fatigue. The EMGs were taken from four subjects under two conditions (1) in shirtsleeves and (2) in a pressurized space suit. This study confirmed that frequency analysis of dynamic muscle activity is capable of providing reliable data for many industrial applications where fatigue may be of practical interest. The results showed significant effects of the pressurized space suit on the pattern of shirtsleeve fatigue responses of the muscles. The data also revealed (1) reliable differences between muscles in fatigue-induced responses to various locations in the reach envelope at which the subjects were required to perform the push-pull exercise and (2) the differential sensitivity of muscles to the various reach positions in terms of fatigue-related shifts in EMG power.

  6. Exploiting the locality of periodic subsystem density-functional theory: efficient sampling of the Brillouin zone

    Science.gov (United States)

    Genova, Alessandro; Pavanello, Michele

    2015-12-01

    In order to approximately satisfy the Bloch theorem, simulations of complex materials involving periodic systems are made {{n}\\text{k}} times more complex by the need to sample the first Brillouin zone at {{n}\\text{k}} points. By combining ideas from Kohn-Sham density-functional theory (DFT) and orbital-free DFT, for which no sampling is needed due to the absence of waves, subsystem DFT offers an interesting middle ground capable of sizable theoretical speedups against Kohn-Sham DFT. By splitting the supersystem into interacting subsystems, and mapping their quantum problem onto separate auxiliary Kohn-Sham systems, subsystem DFT allows an optimal topical sampling of the Brillouin zone. We elucidate this concept with two proof of principle simulations: a water bilayer on Pt[1 1 1]; and a complex system relevant to catalysis—a thiophene molecule physisorbed on a molybdenum sulfide monolayer deposited on top of an α-alumina support. For the latter system, a speedup of 300% is achieved against the subsystem DTF reference by using an optimized Brillouin zone sampling (600% against KS-DFT).

  7. mBEEF: An accurate semi-local Bayesian error estimation density functional

    Science.gov (United States)

    Wellendorff, Jess; Lundgaard, Keld T.; Jacobsen, Karsten W.; Bligaard, Thomas

    2014-04-01

    We present a general-purpose meta-generalized gradient approximation (MGGA) exchange-correlation functional generated within the Bayesian error estimation functional framework [J. Wellendorff, K. T. Lundgaard, A. Møgelhøj, V. Petzold, D. D. Landis, J. K. Nørskov, T. Bligaard, and K. W. Jacobsen, Phys. Rev. B 85, 235149 (2012)]. The functional is designed to give reasonably accurate density functional theory (DFT) predictions of a broad range of properties in materials physics and chemistry, while exhibiting a high degree of transferability. Particularly, it improves upon solid cohesive energies and lattice constants over the BEEF-vdW functional without compromising high performance on adsorption and reaction energies. We thus expect it to be particularly well-suited for studies in surface science and catalysis. An ensemble of functionals for error estimation in DFT is an intrinsic feature of exchange-correlation models designed this way, and we show how the Bayesian ensemble may provide a systematic analysis of the reliability of DFT based simulations.

  8. Local strain energy density to assess the multiaxial fatigue strength of titanium alloys

    Directory of Open Access Journals (Sweden)

    Filippo Berto

    2016-07-01

    Full Text Available The present paper investigates the multiaxial fatigue strength of sharp V-notched components made of titanium grade 5 alloy (Ti-6Al-4V. Axisymmetric notched specimens have been tested under combined tension and torsion fatigue loadings, both proportional and non-proportional, taking into account different nominal load ratios (R = -1 and 0. All tested samples have a notch root radius about equal to 0.1 mm, a notch depth of 6 mm and an opening angle of 90 degrees. The fatigue results obtained by applying multiaxial loadings are discussed together with those related to pure tension and pure torsion experimental fatigue tests, carried out on both smooth and notched specimens at load ratios R ranging between -3 and 0.5. Altogether, more than 250 fatigue results (19 S-N curves are examined, first on the basis of nominal stress amplitudes referred to the net area and secondly by means of the strain energy density averaged over a control volume embracing the V-notch tip. The effect of the loading mode on the control volume size has been analysed, highlighting a wide difference in the notch sensitivity of the considered material under tension and torsion loadings. Accordingly, the control radius of the considered titanium alloy (Ti-6Al-4V is found to be strongly affected by the loading mode.

  9. Accurate and efficient calculation of van der Waals interactions within density functional theory by local atomic potential approach.

    Science.gov (United States)

    Sun, Y Y; Kim, Yong-Hyun; Lee, Kyuho; Zhang, S B

    2008-10-21

    Density functional theory (DFT) in the commonly used local density or generalized gradient approximation fails to describe van der Waals (vdW) interactions that are vital to organic, biological, and other molecular systems. Here, we propose a simple, efficient, yet accurate local atomic potential (LAP) approach, named DFT+LAP, for including vdW interactions in the framework of DFT. The LAPs for H, C, N, and O are generated by fitting the DFT+LAP potential energy curves of small molecule dimers to those obtained from coupled cluster calculations with single, double, and perturbatively treated triple excitations, CCSD(T). Excellent transferability of the LAPs is demonstrated by remarkable agreement with the JSCH-2005 benchmark database [P. Jurecka et al. Phys. Chem. Chem. Phys. 8, 1985 (2006)], which provides the interaction energies of CCSD(T) quality for 165 vdW and hydrogen-bonded complexes. For over 100 vdW dominant complexes in this database, our DFT+LAP calculations give a mean absolute deviation from the benchmark results less than 0.5 kcal/mol. The DFT+LAP approach involves no extra computational cost other than standard DFT calculations and no modification of existing DFT codes, which enables straightforward quantum simulations, such as ab initio molecular dynamics, on biomolecular systems, as well as on other organic systems.

  10. Global effects of local human population density and distance to markets on the condition of coral reef fisheries.

    Science.gov (United States)

    Cinner, Joshua E; Graham, Nicholas A J; Huchery, Cindy; Macneil, M Aaron

    2013-06-01

    Coral reef fisheries support the livelihoods of millions of people but have been severely and negatively affected by anthropogenic activities. We conducted a systematic review of published data on the biomass of coral reef fishes to explore how the condition of reef fisheries is related to the density of local human populations, proximity of the reef to markets, and key environmental variables (including broad geomorphologic reef type, reef area, and net productivity). When only population density and environmental covariates were considered, high variability in fisheries conditions at low human population densities resulted in relatively weak explanatory models. The presence or absence of human settlements, habitat type, and distance to fish markets provided a much stronger explanatory model for the condition of reef fisheries. Fish biomass remained relatively low within 14 km of markets, then biomass increased exponentially as distance from reefs to markets increased. Our results suggest the need for an increased science and policy focus on markets as both a key driver of the condition of reef fisheries and a potential source of solutions.

  11. 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.

  12. Queuing Theory Based Co-Channel Interference Analysis Approach for High-Density Wireless Local Area Networks

    Science.gov (United States)

    Zhang, Jie; Han, Guangjie; Qian, Yujie

    2016-01-01

    Increased co-channel interference (CCI) in wireless local area networks (WLANs) is bringing serious resource constraints to today’s high-density wireless environments. CCI in IEEE 802.11-based networks is inevitable due to the nature of the carrier sensing mechanism however can be reduced by resource optimization approaches. That means the CCI analysis is basic, but also crucial for an efficient resource management. In this article, we present a novel CCI analysis approach based on the queuing theory, which considers the randomness of end users’ behavior and the irregularity and complexity of network traffic in high-density WLANs that adopts the M/M/c queuing model for CCI analysis. Most of the CCIs occur when multiple networks overlap and trigger channel contentions; therefore, we use the ratio of signal-overlapped areas to signal coverage as a probabilistic factor to the queuing model to analyze the CCI impacts in highly overlapped WLANs. With the queuing model, we perform simulations to see how the CCI influences the quality of service (QoS) in high-density WLANs. PMID:27563896

  13. Queuing Theory Based Co-Channel Interference Analysis Approach for High-Density Wireless Local Area Networks.

    Science.gov (United States)

    Zhang, Jie; Han, Guangjie; Qian, Yujie

    2016-08-23

    Increased co-channel interference (CCI) in wireless local area networks (WLANs) is bringing serious resource constraints to today's high-density wireless environments. CCI in IEEE 802.11-based networks is inevitable due to the nature of the carrier sensing mechanism however can be reduced by resource optimization approaches. That means the CCI analysis is basic, but also crucial for an efficient resource management. In this article, we present a novel CCI analysis approach based on the queuing theory, which considers the randomness of end users' behavior and the irregularity and complexity of network traffic in high-density WLANs that adopts the M/M/c queuing model for CCI analysis. Most of the CCIs occur when multiple networks overlap and trigger channel contentions; therefore, we use the ratio of signal-overlapped areas to signal coverage as a probabilistic factor to the queuing model to analyze the CCI impacts in highly overlapped WLANs. With the queuing model, we perform simulations to see how the CCI influences the quality of service (QoS) in high-density WLANs.

  14. 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.

  15. Combined local-density and dynamical mean field theory calculations for the compressed lanthanides Ce, Pr, and Nd

    Energy Technology Data Exchange (ETDEWEB)

    McMahan, A K

    2005-03-30

    This paper reports calculations for compressed Ce (4f{sup 1}), Pr (4f{sup 2}), and Nd (4f{sup 3}) using a combination of the local-density approximation (LDA) and dynamical mean field theory (DMFT), or LDA+DMFT. The 4f moment, spectra, and the total energy among other properties are examined as functions of volume and atomic number for an assumed face-centered cubic (fcc) structure. These materials are seen to be strongly localized at ambient pressure and for compressions up through the experimentally observed fcc phases ({gamma} phase for Ce), in the sense of having fully formed Hund's rules moments and little 4f spectral weight at the Fermi level. Subsequent compression for all three lanthanides brings about significant deviation of the moments from their Hund's rules values, a growing Kondo resonance at the fermi level, an associated softening in the total energy, and quenching of the spin orbit since the Kondo resonance is of mixed spin-orbit character while the lower Hubbard band is predominantly j = 5/2. while the most dramatic changes for Ce occur within the two-phase region of the {gamma}-{alpha} volume collapse transition, as found in earlier work, those for Pr and Nd occur within the volume range of the experimentally observed distorted fcc (dfcc) phase, which is therefore seen here as transitional and not part of the localized trivalent lanthanide sequence. The experimentally observed collapse to the {alpha}-U structure in Pr occurs only on further compression, and no such collapse is found in Nd. These lanthanides start closer to the localized limit for increasing atomic number, and so the theoretical signatures noted above are also offset to smaller volume as well, which is possibly related to the measured systematics of the size of the volume collapse being 15%, 9%, and none for Ce, Pr, and Nd, respectively.

  16. LOCAL-DENSITY FUNCTIONAL AND ON-SITE CORRELATIONS - THE ELECTRONIC-STRUCTURE OF LA2CUO4 AND LACUO3

    NARCIS (Netherlands)

    CZYZYK, MT; SAWATZKY, GA

    1994-01-01

    State-of-the-art electronic-structure calculations based on the local-density approximation (LDA) to the density functional fail to reproduce the insulating antiferromagnetic ground state in the parent compounds of the high-temperature oxide superconductors. Similar problems have been observed earli

  17. No experimental evidence for local competition in the nestling phase as a driving force for density-dependent avian clutch size

    NARCIS (Netherlands)

    Nicolaus, Marion; Both, Christiaan; Ubels, Richard; Edelaar, Pim; Tinbergen, Joost M.; Butler, Simon

    2009-01-01

    In birds, local competition for food between pairs during the nestling phase may affect nestling growth and survival. A decrease in clutch size with an increase in breeding density could be an adaptive response to this competition. To investigate whether breeding density causally affected the clutch

  18. Three-dimensional integral equation approach to light scattering, extinction cross sections, local density of states and quasinormal modes

    CERN Document Server

    de Lasson, Jakob Rosenkrantz; Kristensen, Philip Trøst

    2013-01-01

    We present a numerical formalism for solving the Lippmann-Schwinger equation for the electric field in three dimensions. The formalism may be applied to scatterers of different shapes and embedded in different background media, and we develop it in detail for the specific case of spherical scatterers in a homogeneous background medium. In addition, we show how several physically important quantities may readily be calculated with the formalism. These quantities include the extinction cross section, the total Green's tensor, the projected local density of states and the Purcell factor as well as the quasinormal modes of leaky resonators with the associated resonance frequencies and quality factors. We demonstrate the calculations for the well-known plasmonic dimer consisting of two silver nanoparticles and thus illustrate the versatility of the formalism for use in modeling of advanced nanophotonic devices.

  19. Large-eddy simulation/probability density function modeling of local extinction and re-ignition in Sandia Flame E

    Science.gov (United States)

    Wang, Haifeng; Popov, Pavel; Hiremath, Varun; Lantz, Steven; Viswanathan, Sharadha; Pope, Stephen

    2010-11-01

    A large-eddy simulation (LES)/probability density function (PDF) code is developed and applied to the study of local extinction and re-ignition in Sandia Flame E. The modified Curl mixing model is used to account for the sub-filter scalar mixing; the ARM1 mechanism is used for the chemical reaction; and the in- situ adaptive tabulation (ISAT) algorithm is used to accelerate the chemistry calculations. Calculations are performed on different grids to study the resolution requirement for this flame. Then, with sufficient grid resolution, full-scale LES/PDF calculations are performed to study the flame characteristics and the turbulence-chemistry interactions. Sensitivity to the mixing frequency model is explored in order to understand the behavior of sub-filter scalar mixing in the context of LES. The simulation results are compared to the experimental data to demonstrate the capability of the code. Comparison is also made to previous RANS/PDF simulations.

  20. Complex Orbitals, Multiple Local Minima, and Symmetry Breaking in Perdew-Zunger Self-Interaction Corrected Density Functional Theory Calculations.

    Science.gov (United States)

    Lehtola, Susi; Head-Gordon, Martin; Jónsson, Hannes

    2016-07-12

    Implentation of seminumerical stability analysis for calculations using the Perdew-Zunger self-interaction correction is described. It is shown that real-valued solutions of the Perdew-Zunger equations for gas phase atoms are unstable with respect to imaginary orbital rotations, confirming that a proper implementation of the correction requires complex-valued orbitals. The orbital density dependence of the self-interaction corrected functional is found to lead to multiple local minima in the case of the acrylic acid, H6, and benzene molecules. In the case of benzene, symmetry breaking that results in incorrect ground state geometry is found to occur, erroneously leading to alternating bond lengths in the molecule.

  1. Identifying the role of the local density of optical states in frequency conversion of light in a microcavity

    CERN Document Server

    Yüce, Emre; Claudon, Julien; Gérard, Jean-Michel; Vos, Willem L

    2014-01-01

    We have reversibly switched the resonance of a GaAs-AlAs microcavity in the near-infrared near $\\lambda =1300$ nm within 300 fs by the electronic Kerr effect. We reveal by pump-probe spectroscopy a remarkable red shift or blue shift of the light confined inside the cavity for small pulse delays, depending on their temporal ordering. The color-converted light is efficiently generated in a broad frequency continuum that differs markedly from the instantaneous cavity resonance in terms of the central frequency and bandwidth. From observations on cavities with different quality factors, we identify the role of the local density of optical states (LDOS) available to the newly generated light frequencies. In particular, we distinguish the effect of the LDOS related to the cavity resonance itself, and the LDOS continuum that leaks in from the vacuum surrounding the cavity. Our new insights provide a unified picture for seemingly disparate results in traditional and nanophotonic nonlinear optics.

  2. Filtration of interstellar hydrogen in the two-shock heliospheric interface Inferences on the local interstellar electron density

    CERN Document Server

    Izmodenov, V V; Lallement, R; Glöckler, G; Baranov, V B; Malama, Y G

    1998-01-01

    The solar system is moving through the partially ionized local interstellar cloud (LIC). The ionized matter of the LIC interacts with the expanding solar wind forming the heliospheric interface. The neutral component (interstellar atoms) penetrates through the heliospheric interface into the heliosphere, where it is measured directly "in situ" as pick-up ions and neutral atoms (and as anomalous cosmic rays) or indirectly through resonant scattering of solar Ly-alpha. When crossing the heliospheric interface, interstellar atoms interact with the plasma component through charge exchange. This interaction leads to changes of both neutral gas and plasma properties. The heliospheric interface is also the source of radio emissions which have been detected by the Voyager since 1983. In this paper, we have used a kinetic model of the flow of the interstellar atoms with updated values of velocity, temperature, and density of the circumsolar interstellar hydrogen and calculated how all quantities which are directly ass...

  3. Semianalytical quasi-normal mode theory for the local density of states in coupled photonic crystal cavity-waveguide structures.

    Science.gov (United States)

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

    2015-12-15

    We present and validate a semianalytical 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 nontrivial 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.

  4. Study delay and dispersion effects in dynamic susceptibility contrast MRI based on local density random walk distribution

    Science.gov (United States)

    Li, Xingfeng; Tian, Jie; Wang, Xiaoxiang; Dai, Jianping; Ai, Lin

    2004-04-01

    The aim of this study was to assess the validation of the local density random walk (LDRW) function to correct the delayed and dispersed arterial input function (AIF) data derived from dynamic susceptibility contrast magnetic resonance imaging (DSC-MRI). Instead of using the gamma-variate function to smooth and extrapolate the AIF curves, we suggested a method which was based on diffusion with drift approach. Forty-seven AIF curves from ten patients were segmented to test the effectiveness of the proposed method. The results of the comparisons with the gamma-variate function showed that the LDRW distribution function may provide a new means for more accurate correction of AIF curves.

  5. Local density of states study of a spin-orbit-coupling induced Mott insulator Sr2IrO4

    Science.gov (United States)

    Dai, Jixia; Calleja, Eduardo; Cao, Gang; McElroy, Kyle

    2014-07-01

    We present scanning tunneling microscopy and spectroscopy experiments on the novel Jeff=1/2 Mott insulator Sr2IrO4. Local density of states (LDOS) measurements show an intrinsic insulating gap of 620 meV that is asymmetric about the Fermi level and is larger than previously reported values. The size of this gap suggests that Sr2IrO4 is likely a Mott rather than Slater insulator. In addition, we found a small number of native defects which create in-gap spectral weight. Atomically resolved LDOS measurements on and off the defects show that this energy gap is quite fragile. Together the extended nature of the 5d electrons and poor screening of defects help explain the elusive nature of this gap.

  6. A Novel Multi-Focus Image Fusion Method Based on Stochastic Coordinate Coding and Local Density Peaks Clustering

    Directory of Open Access Journals (Sweden)

    Zhiqin Zhu

    2016-11-01

    Full Text Available The multi-focus image fusion method is used in image processing to generate all-focus images that have large depth of field (DOF based on original multi-focus images. Different approaches have been used in the spatial and transform domain to fuse multi-focus images. As one of the most popular image processing methods, dictionary-learning-based spare representation achieves great performance in multi-focus image fusion. Most of the existing dictionary-learning-based multi-focus image fusion methods directly use the whole source images for dictionary learning. However, it incurs a high error rate and high computation cost in dictionary learning process by using the whole source images. This paper proposes a novel stochastic coordinate coding-based image fusion framework integrated with local density peaks. The proposed multi-focus image fusion method consists of three steps. First, source images are split into small image patches, then the split image patches are classified into a few groups by local density peaks clustering. Next, the grouped image patches are used for sub-dictionary learning by stochastic coordinate coding. The trained sub-dictionaries are combined into a dictionary for sparse representation. Finally, the simultaneous orthogonal matching pursuit (SOMP algorithm is used to carry out sparse representation. After the three steps, the obtained sparse coefficients are fused following the max L1-norm rule. The fused coefficients are inversely transformed to an image by using the learned dictionary. The results and analyses of comparison experiments demonstrate that fused images of the proposed method have higher qualities than existing state-of-the-art methods.

  7. Density structure and geometry of the Costa Rican subduction zone from 3-D gravity modeling and local earthquake data

    Science.gov (United States)

    Lücke, O. H.; Arroyo, I. G.

    2015-10-01

    The eastern part of the oceanic Cocos Plate presents a heterogeneous crustal structure due to diverse origins and ages as well as plate-hot spot interactions which originated the Cocos Ridge, a structure that converges with the Caribbean Plate in southeastern Costa Rica. The complex structure of the oceanic plate directly influences the dynamics and geometry of the subduction zone along the Middle American Trench. In this paper an integrated interpretation of the slab geometry in Costa Rica is presented based on 3-D density modeling of combined satellite and surface gravity data, constrained by available geophysical and geological data and seismological information obtained from local networks. The results show the continuation of steep subduction geometry from the Nicaraguan margin into northwestern Costa Rica, followed by a moderate dipping slab under the Central Cordillera toward the end of the Central American Volcanic Arc. Contrary to commonly assumed, to the southeast end of the volcanic arc, our preferred model shows a steep, coherent slab that extends up to the landward projection of the Panama Fracture Zone. Overall, a gradual change in the depth of the intraplate seismicity is observed, reaching 220 km in the northwestern part, and becoming progressively shallower toward the southeast, where it reaches a maximum depth of 75 km. The changes in the terminal depth of the observed seismicity correlate with the increased density in the modeled slab. The absence of intermediate depth (> 75 km) intraplate seismicity in the southeastern section and the higher densities for the subducted slab in this area, support a model in which dehydration reactions in the subducted slab cease at a shallower depth, originating an anhydrous and thus aseismic slab.

  8. Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory

    Science.gov (United States)

    Ihrig, Arvid Conrad; Wieferink, Jürgen; Zhang, Igor Ying; Ropo, Matti; Ren, Xinguo; Rinke, Patrick; Scheffler, Matthias; Blum, Volker

    2015-09-01

    A key component in calculations of exchange and correlation energies is the Coulomb operator, which requires the evaluation of two-electron integrals. For localized basis sets, these four-center integrals are most efficiently evaluated with the resolution of identity (RI) technique, which expands basis-function products in an auxiliary basis. In this work we show the practical applicability of a localized RI-variant (‘RI-LVL’), which expands products of basis functions only in the subset of those auxiliary basis functions which are located at the same atoms as the basis functions. We demonstrate the accuracy of RI-LVL for Hartree-Fock calculations, for the PBE0 hybrid density functional, as well as for RPA and MP2 perturbation theory. Molecular test sets used include the S22 set of weakly interacting molecules, the G3 test set, as well as the G2-1 and BH76 test sets, and heavy elements including titanium dioxide, copper and gold clusters. Our RI-LVL implementation paves the way for linear-scaling RI-based hybrid functional calculations for large systems and for all-electron many-body perturbation theory with significantly reduced computational and memory cost.

  9. Saturation deficit and deer density affect questing activity and local abundance of Ixodes ricinus (Acari, Ixodidae) in Italy.

    Science.gov (United States)

    Tagliapietra, V; Rosà, R; Arnoldi, D; Cagnacci, F; Capelli, G; Montarsi, F; Hauffe, H C; Rizzoli, A

    2011-12-29

    The wood tick Ixodes ricinus, one of the most common arthropod-borne disease vectors, is of increasing relevance for human and animal health in Europe. The aim of this study was to determine the relative contribution of several abiotic and biotic factors potentially affecting questing activity and local abundance of I. ricinus in Italy, considering the scale at which these factors interact with the host-seeking ticks. Within EDEN, a large-scale EU collaborative project on eco-epidemiology of vector-borne diseases, we collected questing ticks for three consecutive years using a standard protocol at eleven sites in the Italian Alps and Apennines. A total of 25 447 I. ricinus were collected. All sites showed the same annual pattern of tick activity (bimodal for nymphs and unimodal for larvae and adults), although the abundance of nymphs was statistically different between sites and years. A Generalized Linear Mixed Model and a Linear Mixed Model fitted to data for nymphs, showed that while the principal variables affecting the local abundance of questing ticks were saturation deficit (an index combining temperature and relative humidity) and red deer density, the most important variable affecting questing nymph activity was saturation deficit. As for the timing of seasonal emergence, we confirmed that the threshold temperature at this latitude for larvae is 10°C (mean maximum) while that for nymphs is 8°C.

  10. Prickle2 is localized in the postsynaptic density and interacts with PSD-95 and NMDA receptors in the brain.

    Science.gov (United States)

    Hida, Yamato; Fukaya, Masahiro; Hagiwara, Akari; Deguchi-Tawarada, Maki; Yoshioka, Toshinori; Kitajima, Isao; Inoue, Eiji; Watanabe, Masahiko; Ohtsuka, Toshihisa

    2011-06-01

    The planar cell polarity (PCP) protein, Prickle (Pk), is conserved in invertebrates and vertebrates, and regulates cellular morphogenesis and movement. Vertebrate Pk consists of at least two family members, Pk1 and Pk2, both of which are expressed in the brain; however, their localization and function at synapses remain elusive. Here, we show that Pk2 is expressed mainly in the adult brain and is tightly associated with the postsynaptic density (PSD) fraction obtained by subcellular fractionation. In primary cultured rat hippocampal neurons, Pk2 is colocalized with PSD-95 and synaptophysin at synapses. Moreover, immunoelectron microcopy shows that Pk2 is localized at the PSD of asymmetric synapses in the hippocampal CA1 region. Biochemical assays identified that Pk2 forms a complex with PSD proteins including PSD-95 and NMDA receptor subunits via the direct binding to the C-terminal guanylate kinase domain of PSD-95. These results indicate that Pk2 is a novel PSD protein that interacts with PSD-95 and NMDA receptors through complex formations in the brain.

  11. First-principles local density approximation (LDA)+ U and generalized gradient approximation (GGA) + U studies of plutonium oxides

    Institute of Scientific and Technical Information of China (English)

    Sun Bo; Zhang Ping

    2008-01-01

    The electronic structures and properties of PuO2 and Pu2O3 have been studied according to the first principles by using the all-electron projector-augmented-wave (PAW) method. The local density approximation (LDA)+U and the generalized gradient approximation (GGA)+U formalisms have been used to account for the strong on-site Coulomb repulsion among the localized Pu 5f electrons. We discuss how the properties of PuO2 and Pu2O3 are affected by choosing the values of U and exchange-correlation potential. Also, the oxidation reaction of Pu2O3, leading to the formation of PuO2, and its dependence on U and exchange-correlation potential have been studied. Our results show that by choosing an appropriate U it is possible to consistently describe structural, electronic, and thermodynamic properties of PuO2 and Pu2O3, which enable the modelling of the redox process involving Pu-based materials.

  12. Analytical solution of the Gross-Neveu model at finite density

    CERN Document Server

    Thies, M

    2003-01-01

    Recent numerical calculations have shown that the ground state of the Gross-Neveu model at finite density is a crystal. Guided by these results, we can now present the analytical solution to this problem in terms of elliptic functions. The scalar potential is the superpotential of the non-relativistic Lame Hamiltonian. This model can also serve as analytically solvable toy model for a relativistic superconductor in the Larkin-Ovchinnikov-Fulde-Ferrell phase.

  13. 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.

  14. Relativistic and non-relativistic LDA, benchmark results and investigation on the dimers Cu{sub 2}, Ag{sub 2}, Au{sub 2}, Rg{sub 2}.

    Energy Technology Data Exchange (ETDEWEB)

    Kullie, Ossama [University of Kassel, Department of Natural Science, Institute of Physics (Germany)

    2008-07-01

    Using two spinor minimax method combined with finite element methods accompanied with extrapolation and counterpoise techniques enable us to obtain relativistic highly accurate results for two atomic molecules. Like in our previous work for the (Hartree-) Dirac-Fock-Slater (DFS) functional approximation, we investigate in this work the density functional approximations of the relativistic and nonrelativistic local-density functional, presenting highly accurate benchmark results of chemical properties on the dimers of the group 11(Ib) of the periodic table of elements. The comparison with DFS, with experimental and literature's results shows that DFS is better behaved than the other two local functionals.

  15. 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.

  16. Importance of mycorrhization helper bacteria cell density and metabolite localization for the Pinus sylvestris-Lactarius rufus symbiosis.

    Science.gov (United States)

    Aspray, Thomas J; Eirian Jones, E; Whipps, John M; Bending, Gary D

    2006-04-01

    Mycorrhization helper bacteria, Paenibacillus sp. EJP73 and Burkholderia sp. EJP67, were used to study the importance of bacterial inoculum dose and bacterial derived soluble and volatile metabolites localization for enhancing mycorrhiza formation in the Pinus sylvestris-Lactarius rufus symbiosis, using a laboratory based microcosm. EJP73 and EJP67 produced different responses in relation to the inoculum dose; EJP73 significantly enhanced mycorrhiza formation to the same degree at all doses tested (10(5), 10(7), 10(9) and 10(10) CFU mL(-1)), whereas, EJP67 only stimulated mycorrhiza formation within a narrow range of inoculum densities (10(7) and 10(9) CFU mL(-1)). The importance of soluble bacterial metabolites was assessed by applying spent broth derived from exponential and stationary phase bacterial cultures to microcosms. No spent broth enhanced mycorrhiza formation over the control. As EJP73 produced the helper effect over a wide range of inoculum doses, this bacterium was chosen for further study. Physical separation of EJP73 from the fungal and plant symbiosis partners was carried out, in order to determine the contribution of constitutively produced bacterial volatile metabolites to the mycorrhization helper bacteria effect. When EJP73 was physically separated from the symbiosis, it had a significant negative effect on mycorrhiza formation. These results suggest that close proximity, or indeed cell contact, is required for the helper effect. Therefore, fluorescent in situ hybridization in conjunction with cryosectioning was used to determine the localization of EJP73 in mycorrhizal tissue. The cells were found to occur as rows or clusters ( approximately 10 cells) within the mycorrhizal mantle, both at the root tip and along the length of the mycorrhizal short roots.

  17. Foerster resonance energy transfer rate and local density of optical states are uncorrelated in any dielectric nanophotonic medium

    CERN Document Server

    Wubs, Martijn

    2015-01-01

    Motivated by the ongoing debate about nanophotonic control of Foerster resonance energy transfer (FRET), notably by the local density of optical states (LDOS), we study an analytic model system wherein a pair of ideal dipole emitters - donor and acceptor - exhibit energy transfer in the vicinity of an ideal mirror. The FRET rate is controlled by the mirror up to distances comparable to the donor-acceptor distance, that is, the few-nanometer range. For vanishing distance, we find a complete inhibition or a four-fold enhancement, depending on dipole orientation. For mirror distances on the wavelength scale, where the well-known `Drexhage' modification of the spontaneous-emission rate occurs, the FRET rate is constant. Hence there is no correlation between the Foerster (or total) energy transfer rate and the LDOS. At any distance to the mirror, the total energy transfer between a closely-spaced donor and acceptor is dominated by Foerster transfer, i.e., by the static dipole-dipole interaction that yields the cha...

  18. The Space Density of Extended Ultraviolet (XUV) Disks in the Local Universe and Implications for Gas Accretion on to Galaxies

    CERN Document Server

    Lemonias, Jenna J; Thilker, David; Wyder, Ted K; Martin, D Christopher; Seibert, Mark; Treyer, Marie A; Bianchi, Luciana; Heckman, Timothy M; Madore, Barry F; Rich, R Michael

    2011-01-01

    We present results of the first unbiased search for extended UV (XUV)-disk galaxies undertaken to determine the space density of such galaxies. Our sample contains 561 local (0.001 1.5 x 10^4 s) and SDSS DR7 footprints. We explore modifications to the standard classification scheme for our sample that includes both disk- and bulge-dominated galaxies. Visual classification of each galaxy in the sample reveals an XUV-disk frequency of up to 20% for the most nearby portion of our sample. On average over the entire sample (out to z=0.05) the frequency ranges from a hard limit of 4% to 14%. The GALEX imaging allows us to detect XUV-disks beyond 100 Mpc. The XUV regions around XUV-disk galaxies are consistently bluer than the main bodies. We find a surprisingly high frequency of XUV emission around luminous red (NUV-r > 5) and green valley (3 1.5-4.2 x 10^-3 Mpc^-3. Using the XUV emission as an indicator of recent gas accretion, we estimate that the cold gas accretion rate onto these galaxies is > 1.7-4.6 x 10^-3...

  19. Modeling high-pressure adsorption of gas mixtures on activated carbon and coal using a simplified local-density model.

    Science.gov (United States)

    Fitzgerald, James E; Robinson, Robert L; Gasem, Khaled A M

    2006-11-07

    The simplified local-density (SLD) theory was investigated regarding its ability to provide accurate representations and predictions of high-pressure supercritical adsorption isotherms encountered in coalbed methane (CBM) recovery and CO2 sequestration. Attention was focused on the ability of the SLD theory to predict mixed-gas adsorption solely on the basis of information from pure gas isotherms using a modified Peng-Robinson (PR) equation of state (EOS). An extensive set of high-pressure adsorption measurements was used in this evaluation. These measurements included pure and binary mixture adsorption measurements for several gas compositions up to 14 MPa for Calgon F-400 activated carbon and three water-moistened coals. Also included were ternary measurements for the activated carbon and one coal. For the adsorption of methane, nitrogen, and CO2 on dry activated carbon, the SLD-PR can predict the component mixture adsorption within about 2.2 times the experimental uncertainty on average solely on the basis of pure-component adsorption isotherms. For the adsorption of methane, nitrogen, and CO2 on two of the three wet coals, the SLD-PR model can predict the component adsorption within the experimental uncertainties on average for all feed fractions (nominally molar compositions of 20/80, 40/60, 60/40, and 80/20) of the three binary gas mixture combinations, although predictions for some specific feed fractions are outside of their experimental uncertainties.

  20. Local Spin Density Approximation Solution for Spinel LiV2O4: Spin Fluctuation as a Possible Role for Heavy Fermion

    Institute of Scientific and Technical Information of China (English)

    谭明秋; 陶向明

    2001-01-01

    We report on a self-consistent full-potential linear muffin tin orbital band-structure calculation for the heavy fermion (HF) compound LiV2O4. It is found that a stable local spin density approximation solution for LiV2O4 is lower in total energy than the local density approximation calculation. We speculate that the mechanism responsible for HF properties in LiV2O4 might be of spin fluctuation type and is different from the Kondo mechanism in conventional 4f and 5f HF compounds.

  1. Global and local critical current density in superconducting SmFeAsO{sub 1-x}F{sub x} measured by two methods

    Energy Technology Data Exchange (ETDEWEB)

    Otabe, E.S., E-mail: otabe@cse.kyutech.ac.j [Faculty of Computer Science and Systems Engineering, Kyushu Institute of Technology, 680-4 Kawazu, Iizuka, Fukuoka 820-8502 (Japan); Kiuchi, M.; Kawai, S. [Faculty of Computer Science and Systems Engineering, Kyushu Institute of Technology, 680-4 Kawazu, Iizuka, Fukuoka 820-8502 (Japan); Morita, Y.; Ge, J.; Ni, B. [Department of Life, Environment and Material Science, Fukuoka Institute of Technology, 3-30-1 Wajirohigashi, Higashi-ku, Fukuoka 811-0295 (Japan); Gao, Z.; Wang, L.; Qi, Y.; Zhang, X.; Ma, Y. [Key Laboratory of Applied Superconductivity, Institute of Electrical Engineering, Chinese Academy of Sciences, P.O. Box 2703, Beijing 100190 (China)

    2009-11-01

    The critical current densities of polycrystalline bulk SmFeAsO{sub 1-x}F{sub x} prepared by the powder-in-tube (PIT) method and by a conventional solid-state reaction were investigated using the remnant magnetic moment method and Campbell's method. Two types of shielding current, corresponding to global and local critical current densities J{sub c} were observed using both measurement methods. The global and local J{sub c} were on the order of 10{sup 7} A/m{sup 2} and 10{sup 10} A/m{sup 2} at 5 K, respectively. The local J{sub c} decreased slightly with increasing magnetic field. The global J{sub c} was independent of the preparation method, while the local J{sub c} was larger for samples prepared by PIT than for those prepared by solid-state reaction.

  2. Adaptive Localization of Focus Point Regions via Random Patch Probabilistic Density from Whole-Slide, Ki-67-Stained Brain Tumor Tissue

    Directory of Open Access Journals (Sweden)

    Yazan M. Alomari

    2015-01-01

    Full Text Available Analysis of whole-slide tissue for digital pathology images has been clinically approved to provide a second opinion to pathologists. Localization of focus points from Ki-67-stained histopathology whole-slide tissue microscopic images is considered the first step in the process of proliferation rate estimation. Pathologists use eye pooling or eagle-view techniques to localize the highly stained cell-concentrated regions from the whole slide under microscope, which is called focus-point regions. This procedure leads to a high variety of interpersonal observations and time consuming, tedious work and causes inaccurate findings. The localization of focus-point regions can be addressed as a clustering problem. This paper aims to automate the localization of focus-point regions from whole-slide images using the random patch probabilistic density method. Unlike other clustering methods, random patch probabilistic density method can adaptively localize focus-point regions without predetermining the number of clusters. The proposed method was compared with the k-means and fuzzy c-means clustering methods. Our proposed method achieves a good performance, when the results were evaluated by three expert pathologists. The proposed method achieves an average false-positive rate of 0.84% for the focus-point region localization error. Moreover, regarding RPPD used to localize tissue from whole-slide images, 228 whole-slide images have been tested; 97.3% localization accuracy was achieved.

  3. Adaptive localization of focus point regions via random patch probabilistic density from whole-slide, Ki-67-stained brain tumor tissue.

    Science.gov (United States)

    Alomari, Yazan M; Sheikh Abdullah, Siti Norul Huda; MdZin, Reena Rahayu; Omar, Khairuddin

    2015-01-01

    Analysis of whole-slide tissue for digital pathology images has been clinically approved to provide a second opinion to pathologists. Localization of focus points from Ki-67-stained histopathology whole-slide tissue microscopic images is considered the first step in the process of proliferation rate estimation. Pathologists use eye pooling or eagle-view techniques to localize the highly stained cell-concentrated regions from the whole slide under microscope, which is called focus-point regions. This procedure leads to a high variety of interpersonal observations and time consuming, tedious work and causes inaccurate findings. The localization of focus-point regions can be addressed as a clustering problem. This paper aims to automate the localization of focus-point regions from whole-slide images using the random patch probabilistic density method. Unlike other clustering methods, random patch probabilistic density method can adaptively localize focus-point regions without predetermining the number of clusters. The proposed method was compared with the k-means and fuzzy c-means clustering methods. Our proposed method achieves a good performance, when the results were evaluated by three expert pathologists. The proposed method achieves an average false-positive rate of 0.84% for the focus-point region localization error. Moreover, regarding RPPD used to localize tissue from whole-slide images, 228 whole-slide images have been tested; 97.3% localization accuracy was achieved.

  4. 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)

  5. Constitutive expression of a COOH-terminal leucine mutant of lysosome-associated membrane protein-1 causes its exclusive localization in low density intracellular vesicles.

    Science.gov (United States)

    Akasaki, Kenji; Shiotsu, Keiko; Michihara, Akihiro; Ide, Norie; Wada, Ikuo

    2014-07-01

    Lysosome-associated membrane protein-1 (LAMP-1) is a type I transmembrane protein with a short cytoplasmic tail that possesses a lysosome-targeting signal of GYQTI(382)-COOH. Wild-type (WT)-LAMP-1 was exclusively localized in high density lysosomes, and efficiency of LAMP-1's transport to lysosomes depends on its COOH-terminal amino acid residue. Among many different COOH-terminal amino acid substitution mutants of LAMP-1, a leucine-substituted mutant (I382L) displays the most efficient targeting to late endosomes and lysosomes [Akasaki et al. (2010) J. Biochem. 148: , 669-679]. In this study, we generated two human hepatoma cell lines (HepG2 cell lines) that stably express WT-LAMP-1 and I382L, and compared their intracellular distributions. The subcellular fractionation study using Percoll density gradient centrifugation revealed that WT-LAMP-1 had preferential localization in the high density secondary lysosomes where endogenous human LAMP-1 was enriched. In contrast, a major portion of I382L was located in a low density fraction. The low density fraction also contained approximately 80% of endogenous human LAMP-1 and significant amounts of endogenous β-glucuronidase and LAMP-2, which probably represents occurrence of low density lysosomes in the I382L-expressing cells. Double immunofluorescence microscopic analyses distinguished I382L-containing intracellular vesicles from endogenous LAMP-1-containing lysosomes and early endosomes. Altogether, constitutive expression of I382L causes its aberrant intracellular localization and generation of low density lysosomes, indicating that the COOH-terminal isoleucine is critical for normal localization of LAMP-1 in the dense lysosomes.

  6. 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.

  7. Correlating the Local Defect-Level Density with the Macroscopic Composition and Energetics of Chalcopyrite Thin-Film Surfaces.

    Science.gov (United States)

    Bröker, Sebastian; Kück, Dennis; Timmer, Alexander; Lauermann, Iver; Ümsür, Bünyamin; Greiner, Dieter; Kaufmann, Christian A; Mönig, Harry

    2015-06-17

    The unusual defect chemistry of polycrystalline Cu(In,Ga)Se2 (CIGSe) thin films is a main issue for a profound understanding of recombination losses in chalcopyrite thin-film solar cells. Especially, impurity-driven passivation of electronic levels due to point defects segregating at the surface and at grain boundaries is extensively debated. By combining current imaging tunneling spectroscopy with photoelectron spectroscopy, the local defect-level density and unusual optoelectronic grain-boundary properties of this material are correlated with the macroscopic energy levels and surface composition. Vacuum annealing of different CIGSe materials provides evidence that Na diffusion from the glass substrate does not affect the surface defect passivation or grain-boundary properties of standard Cu-poor materials. Furthermore, we find no major impact on the observed thermally activated dipole compensation or the accompanying change in surface band bending (up to 0.6 eV) due to Na. In contrast, Cu-rich CIGSe shows an opposing surface defect chemistry with only minor heat-induced band bending. Our results lead to a comprehensive picture, where the highly desirable type inversion at the p/n interface in standard chalcopyrite thin-film solar cells is dominated by band bending within the CIGSe absorber rather than the result of Na impurities or an n-type defect phase segregating at the interface. This is in accordance with recent studies suggesting a surface reconstruction as the origin for Cu depletion and band-gap widening at the surface of chalcopyrite thin films.

  8. Field-effect modulation of the local density of optical states in a reflectarray metasurface (Conference Presentation)

    Science.gov (United States)

    Kafaie Shirmanesh, Ghazaleh; Sokhoyan, Ruzan; Han, Seunghoon; Atwater, Harry A.

    2016-09-01

    During recent years, advances in the design of arrays of subwavelength optical elements with special electromagnetic properties have enabled quasi two-dimensional structures that control and manipulate electromagnetic phase, amplitude and polarization. Active control of the response of metasurfaces is possible using transparent conducting oxides such as Indium Tin Oxide (ITO) as a tunable active material [1]. Changing the complex permittivity of ITO by applying a voltage yields modulation of reflected wave phase and amplitude. To achieve this, we designed subwavelength antenna arrays consisting of a gold back reflector and gold fishbone antennas. Planar dielectric layers containing a gate tunable layer of ITO are sandwiched between the back reflector and the antenna. The obtained structure shows resonance around 1.5 µm. As a result, based on the 1.54 µm photoluminescence emission of Er doped Al2O3 films, we embedded trivalent erbium ions as quantum emitters inside an alumina host within the metasurface in order to enhance the local density of optical states (LDOS). Simulations indicate the designed structure shows a significant LDOS enhancement (of order of hundreds). By applying a bias between the antenna and the ITO layer, across an HfO2 gate dielectric, we can control the permittivity of ITO and hence dynamically modulate the decay rate of quantum emitters embedded within the structure. In this way, we can achieve LDOS enhancement modulation of about 325%. 1. Y. W Huang, H. W. H. Lee, R. Sokhoyan, R. Pala, K. Thyagarajan, S. Han, D. P. Tsai, H. A. Atwater, "Gate-tunable conducting oxide metasurfaces". (arXiv:1511.09380).

  9. Electrical source imaging and connectivity analysis to localize the seizure-onset zone based on high-density ictal scalp EEG recordings

    OpenAIRE

    Staljanssens, Willeke; Strobbe, Gregor; Van Holen, Roel; Birot, Gwenael; Michel, Christophe; Seeck, Margitta; Vulliémoz, Serge; van Mierlo, Pieter

    2015-01-01

    Functional connectivity analysis of ictal intracranial EEG (icEEG) recordings can help with seizure-onset zone (SOZ) localization in patients with focal epilepsy1. However, it would be of high clinical value to be able to localize the SOZ based on non-invasive ictal EEG recordings to better target or avoid icEEG and improve surgical outcome. In this work, we propose an approach to localize the SOZ based on non-invasive ictal high- density EEG (hd-EEG) recordings. We considered retrospectiv...

  10. 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.

  11. Influence of the overall charge and local charge density of pectin on the complex formation between pectin and beta-lactoglobulin

    NARCIS (Netherlands)

    Sperber, Bram L. H. M.; Schols, Henk A.; Stuart, Martien A. Cohen; Norde, Willem; Voragen, Alphons G. J.

    2009-01-01

    The complex formation between beta-lactoglobulin (beta-lg) and pectin is studied using pectins with different physicochemical characteristics. Pectin allows for the control of both the overall charge by degree of methyl-esterification as well as local charge density by the degree of blockiness. Vary

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

    CERN Document Server

    Zhang, Gaigong; Hu, Wei; Yang, Chao; Pask, John E

    2015-01-01

    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 accuracy required in practice. Since the adaptive local basis set has implicit dependence on a...

  13. 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.

  14. 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 the ...

  15. 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.

  16. In-situ strain localization analysis in low density transformation-twinning induced plasticity steel using digital image correlation

    Science.gov (United States)

    Eskandari, M.; Yadegari-Dehnavi, M. R.; Zarei-Hanzaki, A.; Mohtadi-Bonab, M. A.; Basu, R.; Szpunar, J. A.

    2015-04-01

    The effect of deformation temperature on the strain localization has been evaluated by an adapted digital image correlation (DIC) technique during tensile deformation. The progress of strain localization was traced by the corresponding strain maps. The electron backscatter diffraction analysis and tint etching technique were utilized to determine the impact of martensitic transformation and deformation twinning on the strain localization in both elastic and plastic regimes. In elastic regime the narrow strain bands which are aligned perpendicular to the tension direction were observed in temperature range of 25 to 180 °C due to the stress-assisted epsilon martensite. The strain bands were disappeared by increasing the temperature to 300 °C and reappeared at 400 °C due to the stress-assisted deformation twinning. In plastic regime strain localization continued at 25 °C and 180 °C due to the strain-induced alfa-martensite and deformation twinning, respectively. The intensity of plastic strain localization was increased by increasing the strain due to the enhancement of martensite and twin volume fraction. The plastic strain showed more homogeneity at 300 °C due to the lack of both strain-induced martensite and deformation twinning. Effect of deformation mechanism by changing temperature on strain localization is investigated by digital image correlation. EBSD technique is served to validate deformation mechanism as well as microstructural evolution. Strain induced martensite as well as deformation twinning is activated in the present steel affecting strain localization.

  17. Using van Hove singularities of the two-phonon density of states to investigate the intrinsically localized vibrations of NaI crystal.

    Science.gov (United States)

    Agyare, Benjamin; Riseborough, Peter

    2017-01-01

    Intrinsically Localized Modes (ILMs) have purportedly been observed in NaI but only for wave-vectors, q at the corner of the 3-D Brillouin Zone. It has been suggested that, for high-symmetry q vectors, several van Hove singularities may converge at one frequency producing a large peak in the two-phonon density of state and giving rise to ILMs with these q values. We fit the experimentally determined acoustic and the optic phonon modes using a nearest neighbor and a next-nearest neighbor force constant. We find that the two-phonon density of states, for fixed q exhibits non-divergent van Hove singularities. The frequencies of these features are found to vary as q is varied. We intend to search for q values at which the two-phonon density of states is enhanced and then examine whether the anharmonic interactions can bind the two-phonon excitations to produce a quantized ILM.

  18. Characterization of the local density-of-states fluctuations near the integer quantum Hall transition in a quantum-dot array

    Science.gov (United States)

    Jug, Giancarlo; Ziegler, Klaus

    1997-10-01

    We present a calculation for the second moment of the local density of states in a model of a two-dimensional quantum dot array near the quantum Hall transition. The quantum dot array model is a realistic adaptation of the lattice model for the quantum Hall transition in the two-dimensional electron gas in an external magnetic field proposed by Ludwig, Fisher, Shankar, and Grinstein. We make use of a Dirac fermion representation for the Green's functions in the presence of fluctuations for the quantum dot energy levels. A saddle-point approximation yields nonperturbative results for the first and second moments of the local density of states, showing interesting fluctuation behavior near the quantum Hall transition. To our knowledge we discuss here one of the first analytic characterizations of chaotic behavior for a two-dimensional mesoscopic structure. The connection with possible experimental investigations of the local density of states in the quantum dot array structures (by means of NMR Knight-shift or single-electron-tunneling techniques) and our work is also established.

  19. Optimizing finite element predictions of local subchondral bone structural stiffness using neural network-derived density-modulus relationships for proximal tibial subchondral cortical and trabecular bone.

    Science.gov (United States)

    Nazemi, S Majid; Amini, Morteza; Kontulainen, Saija A; Milner, Jaques S; Holdsworth, David W; Masri, Bassam A; Wilson, David R; Johnston, James D

    2017-01-01

    Quantitative computed tomography based subject-specific finite element modeling has potential to clarify the role of subchondral bone alterations in knee osteoarthritis initiation, progression, and pain. However, it is unclear what density-modulus equation(s) should be applied with subchondral cortical and subchondral trabecular bone when constructing finite element models of the tibia. Using a novel approach applying neural networks, optimization, and back-calculation against in situ experimental testing results, the objective of this study was to identify subchondral-specific equations that optimized finite element predictions of local structural stiffness at the proximal tibial subchondral surface. Thirteen proximal tibial compartments were imaged via quantitative computed tomography. Imaged bone mineral density was converted to elastic moduli using multiple density-modulus equations (93 total variations) then mapped to corresponding finite element models. For each variation, root mean squared error was calculated between finite element prediction and in situ measured stiffness at 47 indentation sites. Resulting errors were used to train an artificial neural network, which provided an unlimited number of model variations, with corresponding error, for predicting stiffness at the subchondral bone surface. Nelder-Mead optimization was used to identify optimum density-modulus equations for predicting stiffness. Finite element modeling predicted 81% of experimental stiffness variance (with 10.5% error) using optimized equations for subchondral cortical and trabecular bone differentiated with a 0.5g/cm(3) density. In comparison with published density-modulus relationships, optimized equations offered improved predictions of local subchondral structural stiffness. Further research is needed with anisotropy inclusion, a smaller voxel size and de-blurring algorithms to improve predictions. Copyright © 2016 Elsevier Ltd. All rights reserved.

  20. Lorentz covariant reduced-density-operator theory for relativistic quantum information processing

    CERN Document Server

    Ahn, D; Hwang, S W; Ahn, Doyeol; Lee, Hyuk-jae; Hwang, Sung Woo

    2003-01-01

    In this paper, we derived Lorentz covariant quantum Liouville equation for the density operator which describes the relativistic quantum information processing from Tomonaga-Schwinger equation and an exact formal solution for the reduced-density-operator is obtained using the projector operator technique and the functional calculus. When all the members of the family of the hypersurfaces become flat hyperplanes, it is shown that our results agree with those of non-relativistic case which is valid only in some specified reference frame. The formulation presented in this work is general and might be applied to related fields such as quantum electrodynamics and relativistic statistical mechanics.

  1. ELUCID - Exploring the Local Universe with reConstructed Initial Density field III: Constrained Simulation in the SDSS Volume

    CERN Document Server

    Wang, Huiyuan; Yang, Xiaohu; Zhang, Youcai; Shi, JingJing; Jing, Y P; Liu, Chengze; Li, Shijie; Kang, Xi; Gao, Yang

    2016-01-01

    A method we developed recently for the reconstruction of the initial density field in the nearby Universe is applied to the Sloan Digital Sky Survey Data Release 7. A high-resolution N-body constrained simulation (CS) of the reconstructed initial condition, with $3072^3$ particles evolved in a 500 Mpc/h box, is carried out and analyzed in terms of the statistical properties of the final density field and its relation with the distribution of SDSS galaxies. We find that the statistical properties of the cosmic web and the halo populations are accurately reproduced in the CS. The galaxy density field is strongly correlated with the CS density field, with a bias that depend on both galaxy luminosity and color. Our further investigations show that the CS provides robust quantities describing the environments within which the observed galaxies and galaxy systems reside. Cosmic variance is greatly reduced in the CS so that the statistical uncertainties can be controlled effectively even for samples of small volumes...

  2. Evaluation of Spatial Resolution and Noise Sensitivity of sLORETA Method for EEG Source Localization Using Low-Density Headsets

    CERN Document Server

    Saha, Sajib; Tahtali, Murat; Gureyev, Timur E

    2014-01-01

    Electroencephalography (EEG) has enjoyed considerable attention over the past century and has been applied for diagnosis of epilepsy, stroke, traumatic brain injury and other disorders where 3D localization of electrical activity in the brain is potentially of great diagnostic value. In this study we evaluate the precision and accuracy of spatial localization of electrical activity in the brain delivered by a popular reconstruction technique sLORETA applied to EEG data collected by two commonly used low-density headsets with 14 and 19 measurement channels, respectively. Numerical experiments were performed for a realistic head model obtained by segmentation of MRI images. The EEG source localization study was conducted with a simulated single active dipole, as well as with two spatially separated simultaneously active dipoles, as a function of dipole positions across the neocortex, with several different noise levels in the EEG signals registered on the scalp. The results indicate that while the reconstructio...

  3. Block-Localized Density Functional Theory (BLDFT), Diabatic Coupling, and Their Use in Valence Bond Theory for Representing Reactive Potential Energy Surfaces.

    Science.gov (United States)

    Cembran, Alessandro; Song, Lingchun; Mo, Yirong; Gao, Jiali

    2009-10-13

    A multistate density functional theory in the framework of the valence bond model is described. The method is based on a block-localized density functional theory (BLDFT) for the construction of valence-bond-like diabatic electronic states and is suitable for the study of electron transfer reactions and for the representation of reactive potential energy surfaces. The method is equivalent to a valence bond theory with the treatment of the localized configurations by using density functional theory (VBDFT). In VBDFT, the electron densities and energies of the valence bond states are determined by BLDFT. A functional estimate of the off-diagonal matrix elements of the VB Hamiltonian is proposed, making use of the overlap integral between Kohn-Sham determinants and the exchange-correlation functional for the ground state substituted with the transition (exchange) density. In addition, we describe an approximate approach, in which the off-diagonal matrix element is computed by wave function theory using block-localized Kohn-Sham orbitals. The key feature is that the electron density of the adiabatic ground state is not directly computed nor used to obtain the ground-state energy; the energy is determined by diagonalization of the multistate valence bond Hamiltonian. This represents a departure from the standard single-determinant Kohn-Sham density functional theory. The multistate VBDFT method is illustrated by the bond dissociation of H2+ and a set of three nucleophilic substitution reactions in the DBH24 database. In the dissociation of H2+, the VBDFT method yields the correct asymptotic behavior as the two protons stretch to infinity, whereas approximate functionals fail badly. For the S(N)2 nucleophilic substitution reactions, the hybrid functional B3LYP severely underestimates the barrier heights, while the approximate two-state VBDFT method overcomes the self-interaction error, and overestimates the barrier heights. Inclusion of the ionic state in a three

  4. Coupled-cluster, Möller Plesset (MP2), density fitted local MP2, and density functional theory examination of the energetic and structural features of hydrophobic solvation: water and pentane.

    Science.gov (United States)

    Ghadar, Yasaman; Clark, Aurora E

    2012-02-07

    The interaction potentials between immiscible polar and non-polar solvents are a major driving force behind the formation of liquid:liquid interfaces. In this work, the interaction energy of water-pentane dimer has been determined using coupled-cluster theory with single double (triple) excitations [CCSD(T)], 2nd order Möller Plesset perturbation theory (MP2), density fitted local MP2 (DF-LMP2), as well as density functional theory using a wide variety of density functionals and several different basis sets. The M05-2X exchange correlation functionals exhibit excellent agreement with CCSD(T) and DF-LMP2 after taking into account basis set superposition error. The gas phase water-pentane interaction energy is found to be quite sensitive to the specific pentane isomer (2,2-dimethylpropane vs. n-pentane) and relative orientation of the monomeric constituents. Subsequent solution phase cluster calculations of 2,2-dimethylpropane and n-pentane solvated by water indicate a positive free energy of solvation that is in good agreement with available experimental data. Structural parameters are quite sensitive to the density functional employed and reflect differences in the two-body interaction energy calculated by each method. In contrast, cluster calculations of pentane solvation of H(2)O solute are found to be inadequate for describing the organic solvent, likely due to limitations associated with the functionals employed (B3LYP, BHandH, and M05-2X).

  5. The role of magnetic islands in modifying long range temporal correlations of density fluctuations and local heat transport

    CERN Document Server

    van Milligen, B Ph; Garcia, L; Bruna, D Lopez; Carreras, B A; Xu, Y; Ochando, M; Hidalgo, C; Reynolds-Barredo, J M; Fraguas, A Lopez

    2016-01-01

    This work explores the relation between magnetic islands, long range temporal correlations and heat transport. A low order rational surface ($\\iota/2\\pi = 3/2$) was purposely scanned outward through an Electron Cyclotron Resonance Heated (ECRH) plasma in the TJ-II stellarator. Density turbulence and the poloidal flow velocity (or radial electric field) were characterized using a two channel Doppler Reflectometer. Simultaneously, the ECRH power was modulated to characterize heat transport, using measurements from a 12 channel Electron Cyclotron Emission diagnostic. A systematic variation of the poloidal velocity was found to be associated with the stationary $\\iota/2\\pi = 3/2$ magnetic island. Inside from the rational surface, the Hurst coefficient, quantifying the nature of long-range correlations, was found to be significantly enhanced. Simultaneously, heat transport was enhanced as well, establishing a clear link between density fluctuations and anomalous heat transport. The variation of the Hurst coefficie...

  6. Derivation of the Fano profile from time-dependent density-functional theory for local thermodynamic equilibrium plasmas

    Science.gov (United States)

    Kiyokawa, Shuji

    2007-04-01

    We give the derivation of the Fano profile (the resonance energy position, the resonance width Γ , and q value) from the time-dependent nonrelativistic density-functional theory (DFT) and propose a scheme for calculating the photoabsorption cross section of hot dense plasmas. As a consequence of this derivation, we show the line profile is obtained as a superposition of Fano and Lorentz profiles when the competition of two optically allowed bound-bound and bound-free transitions occurs. We also show the results of the photoabsorption cross section by applying our scheme to an Fe plasma (density is 7.85g/cm3 , temperature is 100eV ), where the calculation is carried out without numerical divergence for any photon energy. The calculated results are in good agreement with those of Grimaldi.

  7. 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.

  8. Local states in one-dimensional CDW (charge density wave) materials: Spectral signatures for polarons and bipolarons in MX chains

    Energy Technology Data Exchange (ETDEWEB)

    Swanson, B. I.; Donohoe, R. J.; Worl, L. A.; Bulou, A. D.F.; Arrington, C. A.; Gammel, J. T.; Saxena, A.; Bishop, A. R.

    1990-01-01

    We have undertaken a combined theoretical and experimental effort directed toward the examination of both the ground and defect states in halide-bridged mixed-valence metal linear chains materials as they are tuned within and between broken symmetry phases. Novel low-dimensional highly correlated electronic materials offer a difficult theoretical challenge as we must span from a description of electronic structure on a molecular scale to the meso scale structure that is intrinsic to these solids. Our theoretical effort at Los Alamos combines quantum chemistry, band structure calculations, and many body modeling using Peierls-Hubbard Hamiltonians in order to model ground and local states. The experimental effort combines synthesis and a variety of microscopic structural and spectroscopic probes and macroscopic measurements in an effort to fully characterize both ground and local states as these materials are tuned in the phase boundary regions between broken symmetry states. The present article summarizes some of our recent research using optical spectroscopy to obtain signatures of photoexcited and intrinsic local states and compares these experimental results with Peierls-Hubbard calculations of the optical properties of these materials. Details concerning the theoretical and experimental approaches can be found elsewhere.

  9. Topological Model on the Inductive Effect in Alkyl Halides Using Local Quantum Similarity and Reactivity Descriptors in the Density Functional Theory

    Directory of Open Access Journals (Sweden)

    Alejandro Morales-Bayuelo

    2014-01-01

    Full Text Available We present a topological analysis to the inductive effect through steric and electrostatic scales of quantitative convergence. Using the molecular similarity field based in the local guantum similarity (LQS with the Topo-Geometrical Superposition Algorithm (TGSA alignment method and the chemical reactivity in the density function theory (DFT context, all calculations were carried out with Amsterdam Density Functional (ADF code, using the gradient generalized approximation (GGA and local exchange correlations PW91, in order to characterize the electronic effect by atomic size in the halogens group using a standard Slater-type-orbital basis set. In addition, in this study we introduced news molecular bonding relationships in the inductive effect and the nature of the polar character in the C–H bond taking into account the global and local reactivity descriptors such as chemical potential, hardness, electrophilicity, and Fukui functions, respectively. These descriptors are used to find new alternative considerations on the inductive effect, unlike to the binding energy and dipole moment performed in the traditional organic chemical.

  10. NMR shielding tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge including atomic orbitals.

    Science.gov (United States)

    Loibl, Stefan; Schütz, Martin

    2012-08-28

    An efficient method for the calculation of nuclear magnetic resonance (NMR) shielding tensors is presented, which treats electron correlation at the level of second-order Mo̸ller-Plesset perturbation theory. It uses spatially localized functions to span occupied and virtual molecular orbital spaces, respectively, which are expanded in a basis of gauge including atomic orbitals (GIAOs or London atomic orbitals). Doubly excited determinants are restricted to local subsets of the virtual space and pair energies with an interorbital distance beyond a certain threshold are omitted. Furthermore, density fitting is employed to factorize the electron repulsion integrals. Ordinary Gaussians are employed as fitting functions. It is shown that the errors in the resulting NMR shielding constant, introduced (i) by the local approximation and (ii) by density fitting, are very small or even negligible. The capabilities of the new program are demonstrated by calculations on some extended molecular systems, such as the cyclobutane pyrimidine dimer photolesion with adjacent nucleobases in the native intrahelical DNA double strand (ATTA sequence). Systems of that size were not accessible to correlated ab initio calculations of NMR spectra before. The presented method thus opens the door to new and interesting applications in this area.

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

    Science.gov (United States)

    He, Shenglai; Russakoff, Arthur; Li, Yonghui; Varga, Kálmán

    2016-07-01

    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.

  12. Solar Flux Effect on the Reproducibility of Global/Local-Time Variations of Ion Density Structure at Low-Latitude Ionosphere

    Science.gov (United States)

    Su, Shin-Yi

    Longitudinal/seasonal (l/s) variations of ion density structures at the 600-km low-latitude ionosphere observed by ROCSAT-1 between two similar solar activity years of 2000 and 2002 are examined at four different local-time (LT) regions. The gross feature of l/s density structure is almost identical to each other at the four LT regions examined. A complete reproducibility of density structure can be assumed, including the shape of equatorial ionization anomaly (EIA), for identical solar flux input that also implicitly affect other atmospheric components such as the neutral O/N2 ratio and neutral wind variation. The fact that the solar variability effect is thought as the ultimate driver to shape the global ionospheric structure can be confirmed with the reproduction of ROCSAT observations with the simulation results of the TIEGCM model runs using the observed solar flux inputs for various seasons. However, the EIA crestto-valley ratio or no-valley signature in this background density structure can not be used to infer the post-sunset irregularity occurrence rates because the l/s variation of the magnetic declination effect that determines the post-sunset ionospheric conductivity for the ionospheric electrodynamics can not be readily obtained from this ionospheric background structure.

  13. On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energies.

    Science.gov (United States)

    Gritsenko, O V; Mentel, Ł M; Baerends, E J

    2016-05-28

    In spite of the high quality of exchange-correlation energies Exc obtained with the generalized gradient approximations (GGAs) of density functional theory, their xc potentials vxc are strongly deficient, yielding upshifts of ca. 5 eV in the orbital energy spectrum (in the order of 50% of high-lying valence orbital energies). The GGAs share this deficiency with the local density approximation (LDA). We argue that this error is not caused by the incorrect long-range asymptotics of vxc or by self-interaction error. It arises from incorrect density dependencies of LDA and GGA exchange functionals leading to incorrect (too repulsive) functional derivatives (i.e., response parts of the potentials). The vxc potential is partitioned into the potential of the xc hole vxchole (twice the xc energy density ϵxc), which determines Exc, and the response potential vresp, which does not contribute to Exc explicitly. The substantial upshift of LDA/GGA orbital energies is due to a too repulsive LDA exchange response potential vxresp (LDA) in the bulk region. Retaining the LDA exchange hole potential plus the B88 gradient correction to it but replacing the response parts of these potentials by the model orbital-dependent response potential vxresp (GLLB) of Gritsenko et al. [Phys. Rev. A 51, 1944 (1995)], which has the proper step-wise form, improves the orbital energies by more than an order of magnitude. Examples are given for the prototype molecules: dihydrogen, dinitrogen, carbon monoxide, ethylene, formaldehyde, and formic acid.

  14. 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...

  15. 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.

  16. OTR from Non-Relativistic Electrons

    CERN Document Server

    Bal, C; Chevallay, E; Lefèvre, T; Suberlucq, Guy

    2003-01-01

    The CLIC Test Facility 3 (CTF3) injector will provide pulsed beams of high average current; 5A over 1.56µs at 140keV. For transverse beam sizes of the order of 1mm, as foreseen, this implies serious damage to the commonly used scintillating screens. Optical Transition Radiation from thermally resistant radiators represents a possible alternative. In this context, the backward OTR radiation emitted from an aluminium screen by a 80keV, 60nC, 4ns electron pulse has been investigated. The experimental results are in good agreement with the theoretical expectations, indicating a feeble light intensity distributed over a large solid angle. Our conclusions for the design of the CTF3 injector profile monitor are also given.

  17. 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......, 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...

  18. Local Quasiparticle Density of States of Superconducting SmFeAsO1-xFx Single Crystals: Evidence for Spin-Mediated Pairing

    Science.gov (United States)

    Fasano, Y.; Maggio-Aprile, I.; Zhigadlo, N. D.; Katrych, S.; Karpinski, J.; Fischer, Ø.

    2010-10-01

    We probe the local quasiparticles density of states in micron-sized SmFeAsO1-xFx single crystals by means of scanning tunnelling spectroscopy. Spectral features resemble those of cuprates, particularly a dip-hump-like structure developed at energies larger than the gap that can be ascribed to the coupling of quasiparticles to a collective mode, quite likely a resonant spin mode. The energy of the collective mode revealed in our study decreases when the pairing strength increases. Our findings support spin-fluctuation-mediated pairing in pnictides.

  19. Non-linear optics and local-field factors in liquid chloroform: A time-dependent density-functional theory study

    Science.gov (United States)

    Strubbe, David A.; Andrade, Xavier; Rubio, Angel; Louie, Steven G.

    2010-03-01

    Chloroform is often used as a solvent when measuring non-linear optical properties of organic molecules. We assess the influence of the solution environment on the molecular properties by calculating directly the non-linear susceptibilities of liquid chloroform at optical frequencies. We use the Sternheimer equation in time-dependent density-functional theory [J. Chem. Phys. 126, 184106 (2007)], on snapshots from ab initio molecular dynamics. We compare the results to those in the gas and solid phases, and to experimental values. We also calculate ab initio local-field factors, used to analyze electric-field-induced second-harmonic generation (EFISH) and hyper-Rayleigh scattering (HRS) experiments.

  20. Limits on axion-photon coupling or on local axion density: Dependence on models of the Milky Way's dark halo

    Science.gov (United States)

    Sloan, J. V.; Hotz, M.; Boutan, C.; Bradley, R.; Carosi, G.; Carter, D.; Clarke, J.; Crisosto, N.; Daw, E. J.; Gleason, J.; Hoskins, J.; Khatiwada, R.; Lyapustin, D.; Malagon, A.; O'Kelley, S.; Ottens, R. S.; Rosenberg, L. J.; Rybka, G.; Stern, I.; Sullivan, N. S.; Tanner, D. B.; van Bibber, K.; Wagner, A.; Will, D.

    2016-12-01

    The μeV-scale axion is a compelling cold dark matter candidate. The Axion Dark Matter eXperiment (ADMX) searches for axions by stimulating the decay of galactic dark matter halo axions into detectable microwave photons by their conversion in a resonant cavity permeated by a strong, static magnetic field. The signal depends on properties of the Milky Way's dark matter halo; the choice of halo model has significant implications for the sensitivity of direct detection searches, e.g., ADMX. This paper explores the sensitivity of the data taken by ADMX from 2008 to 2010 to various dark matter halo models. New models for the phase-space distribution of local axions are considered; the analysis demonstrates that certain assumptions about the dark matter halo improve limits on axion-photon coupling. In addition, new ADMX data covering 860-892 MHz are included in the analysis.

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

    Energy Technology Data Exchange (ETDEWEB)

    Hernandez-Trujillo, Jesus [Programa de Ingenieria Molecular, Instituto Mexicano del Petroleo, Eje Central Lazaro Cardenas 152, Colonia San Bartolo Atepehuacan, Mexico, D.F. 07730 (Mexico)]. E-mail: jesus.hernandez@correo.unam.mx; Garcia-Cruz, Isidoro [Programa de Ingenieria Molecular, Instituto Mexicano del Petroleo, Eje Central Lazaro Cardenas 152, Colonia San Bartolo Atepehuacan, Mexico, D.F. 07730 (Mexico); Martinez-Magadan, Jose Manuel [Programa de Ingenieria Molecular, Instituto Mexicano del Petroleo, Eje Central Lazaro Cardenas 152, Colonia San Bartolo Atepehuacan, Mexico, D.F. 07730 (Mexico)

    2005-01-10

    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.

  2. Efficient evaluation of dielectric response functions and calculations of ground and excited state properties beyond local Density Functional approaches

    Science.gov (United States)

    Lu, Deyu; Li, Yan; Rocca, Dario; Viet Nguyen, H.; Gygi, Francois; Galli, Giulia

    2010-03-01

    A recently developed technique to diagonalize iteratively dielectric matrices [1], is used to carry out efficient, ab-initio calculations of dispersion interactions, and excited state properties of nanostructures. In particular, we present results for the binding energies of weakly bonded molecular crystals [2], obtained at the EXX/RPA level of theory, and for absorption spectra of semiconducting clusters, obtained by an iterative solution of the Bethe-Salpeter equations [3]. We show that the ability to obtain the eigenmodes of dielectric matrices from Density Functional perturbation theory, without computing single particle excited states, greatly improves the efficiency of both EXX/RPA and many body perturbation theory [3,4] calculations and opens the way to large scale computations. [1] H. Wilson, F. Gygi and G. Galli, Phys. Rev. B , 78, 113303, 2008; and H. Wilson, D. Lu, F. Gygi and G. Galli, Phys. Rev. B, 79, 245106, 2009. [2] D. Lu, Y. Li, D. Rocca and G. Galli, Phys. Rev. Lett, 102, 206411, 2009; and Y. Li, D. Lu, V. Nguyen and G. Galli, J. Phys. Chem. C (submitted) [3] D. Rocca, D. Lu and G. Galli, submitted. [4] D. Lu, F. Gygi and G. Galli, Phys. Rev. Lett. 100, 147601, 2008. Work was funded by DOE/Scidac DE-FC02-06ER25794 and DOE/BES DE-FG02-06ER46262.

  3. Muscle-tendon units localization and activation level analysis based on high-density surface EMG array and NMF algorithm

    Science.gov (United States)

    Huang, Chengjun; Chen, Xiang; Cao, Shuai; Zhang, Xu

    2016-12-01

    Objective. Some skeletal muscles can be subdivided into smaller segments called muscle-tendon units (MTUs). The purpose of this paper is to propose a framework to locate the active region of the corresponding MTUs within a single skeletal muscle and to analyze the activation level varieties of different MTUs during a dynamic motion task. Approach. Biceps brachii and gastrocnemius were selected as targeted muscles and three dynamic motion tasks were designed and studied. Eight healthy male subjects participated in the data collection experiments, and 128-channel surface electromyographic (sEMG) signals were collected with a high-density sEMG electrode grid (a grid consists of 8 rows and 16 columns). Then the sEMG envelopes matrix was factorized into a matrix of weighting vectors and a matrix of time-varying coefficients by nonnegative matrix factorization algorithm. Main results. The experimental results demonstrated that the weightings vectors, which represent invariant pattern of muscle activity across all channels, could be used to estimate the location of MTUs and the time-varying coefficients could be used to depict the variation of MTUs activation level during dynamic motion task. Significance. The proposed method provides one way to analyze in-depth the functional state of MTUs during dynamic tasks and thus can be employed on multiple noteworthy sEMG-based applications such as muscle force estimation, muscle fatigue research and the control of myoelectric prostheses. This work was supported by the National Nature Science Foundation of China under Grant 61431017 and 61271138.

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

    Energy Technology Data Exchange (ETDEWEB)

    Colas, L., E-mail: laurent.colas@cea.fr [CEA, IRFM, F-13108 Saint-Paul-Lez-Durance (France); Jacquet, Ph. [CCFE, Culham Science Centre, Abingdon OX14 3DB (United Kingdom); Van Eester, D. [LPP-ERM-KMS, TEC partner, Brussels (Belgium); Bobkov, V. [Max-Planck-Institut für Plasmaphysik, Garching (Germany); Brix, M.; Meneses, L. [CCFE, Culham Science Centre, Abingdon OX14 3DB (United Kingdom); Tamain, P. [CEA, IRFM, F-13108 Saint-Paul-Lez-Durance (France); Marsen, S. [CCFE, Culham Science Centre, Abingdon OX14 3DB (United Kingdom); Silva, C. [Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico, Universidade de Lisboa (Portugal); Carralero, D.; Kočan, M.; Müller, H.-W. [Max-Planck-Institut für Plasmaphysik, Garching (Germany); Crombé, K.; Křivska, A. [LPP-ERM-KMS, TEC partner, Brussels (Belgium); Goniche, M. [CEA, IRFM, F-13108 Saint-Paul-Lez-Durance (France); Lerche, E. [LPP-ERM-KMS, TEC partner, Brussels (Belgium); Rimini, F.G. [CCFE, Culham Science Centre, Abingdon OX14 3DB (United Kingdom)

    2015-08-15

    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 × B{sub 0} 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.

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

    Science.gov (United States)

    Loibl, Stefan; Schütz, Martin

    2014-07-14

    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.

  6. Momentum dependence of the electron-phonon coupling and self-energy effects in superconducting YBa2Cu3O7 within the local density approximation.

    Science.gov (United States)

    Heid, Rolf; Bohnen, Klaus-Peter; Zeyher, Roland; Manske, Dirk

    2008-04-04

    Using the local density approximation and a realistic phonon spectrum we determine the momentum and frequency dependence of alpha(2)F(k,omega) in YBa(2)Cu(3)O(7) for the bonding, antibonding, and chain band. The resulting self-energy Sigma is rather small near the Fermi surface. For instance, for the antibonding band the maximum of ReSigma as a function of frequency is about 7 meV at the nodal point in the normal state and the ratio of bare and renormalized Fermi velocities is 1.18. These values are a factor of 3-5 too small compared to the experiment showing that only a small part of Sigma can be attributed to phonons. Furthermore, the frequency dependence of the renormalization factor Z(k,omega) is smooth and has no anomalies at the observed kink frequencies which means that phonons cannot produce well-pronounced kinks in stoichiometric YBa(2)Cu()3)O(7), at least, within the local density approximation.

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

    Energy Technology Data Exchange (ETDEWEB)

    Jaquet, O.; Siegel, P. [Colenco Power Engineering Ltd, Baden-Daettwil (Switzerland)

    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

  8. Interplay between spin-density wave and 3 d local moments with random exchange in a molecular conductor

    Science.gov (United States)

    Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kitagawa, Hiroshi

    2016-02-01

    We present the results of high-pressure transport measurements on the anion-mixed molecular conductors (DIETSe)2M Br2Cl2 [DIETSe = diiodo(ethylenedithio)tetraselenafulvalene; M =Fe , Ga]. They undergo a metal-insulator (M-I) transition below 9 K at ambient pressure, which is suppressed by applying pressure, indicating a spin-density-wave (SDW) transition caused by a nesting instability of the quasi-one-dimensional (Q1D) Fermi surface, as observed in the parent compounds (DIETSe)2M Cl4 (M =Fe , Ga). In the metallic state, the existence of the Q1D Fermi surface is confirmed by observing the Lebed resonance. The critical pressures of the SDW, Pc, of the M Br2Cl2 (M =Fe , Ga) salts are significantly lower than those of the the M Cl4 (M = Fe, Ga) salts, suggesting chemical pressure effects. Above Pc, field-induced SDW transitions appear, as evidenced by kink structures in the magnetoresistance (MR) in both salts. The FeBr2Cl2 salt also shows antiferromagnetic (AF) ordering of d spins at 4 K, below which significant spin-charge coupling is observed. A large positive MR change up to 150% appears above the spin-flop field at high pressure. At low pressure, in particular below Pc, a dip or kink structure appears in MR at the spin-flop field, which shows unconventionally large hysteresis at low temperature (T hysteresis region clearly decreases with increasing pressure towards Pc, strongly indicating that the coexisting SDW plays an important role in the enhancement of magnetic hysteresis besides the random exchange interaction.

  9. The Beam-Density Effect on Energy Loss of a Relativistic Charged Particle Beam.

    Science.gov (United States)

    1983-09-01

    media. t iU NSWC TR 83-348 Folloving the method developed by Sternheimer 24 in his calculations of the Fermi density effect, i l L2 -2in.v-v 2 (2.16...where Z 2v 2 + f.. The Sternheimer factor P is chosen so that the i i i value of the Bethe logarithm, InI, obtained in non-relativistic experiments, is...first three eigenfrequencies were taken from Reference 25. A more recent set has been given by Sternheimer and Peierls,2 6 but the ones of Reference 25

  10. Understanding the ε and ζ High-Pressure Solid Phases of Oxygen. Systematic Periodic Density Functional Theory Studies Using Localized Atomic Basis.

    Science.gov (United States)

    Ochoa-Calle, A J; Zicovich-Wilson, C M; Hernández-Lamoneda, R; Ramírez-Solís, A

    2015-03-10

    The experimentally characterized ε and ζ phases of solid oxygen are studied by periodic Hartree-Fock (HF) and Density Functional Theory calculations at pressures from 10 to 160 GPa using different types of exchange-correlation functionals with Gaussian atomic basis sets. Full geometry optimizations of the monoclinic C2/m (O2)4 unit cell were done to study the evolution of the structural and electronic properties with pressure. Vibrational calculations were performed at each pressure. While periodic HF does not predict the ε-ζ phase transition in the considered range, Local Density approximation and Generalized Gradient approximation methods predict too low transition pressures. The performance of hybrid functional methods is dependent on the amount of non-local HF exchange. PBE0, M06, B3PW91, and B3LYP approaches correctly predict the structural and electronic changes associated with the phase transition. GGA and hybrid functionals predict a pressure range where both phases coexist, but only the latter type of methods yield results in agreement with experiment. Using the optimized (O2)4 unit cell at each pressure we show, through CASSCF(8,8) calculations, that the greater accuracy of the optimized geometrical parameters with increasing pressure is due to a decreasing multireference character of the unit cell wave function. The mechanism of the transition from the non-conducting to the conducting ζ phase is explained through the Electron Pair Localization Function, which clearly reveals chemical bonding between O2 molecules in the ab crystal planes belonging to different unit cells due to much shorter intercell O2-O2 distances.

  11. On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energies

    Science.gov (United States)

    Gritsenko, O. V.; Mentel, Ł. M.; Baerends, E. J.

    2016-05-01

    In spite of the high quality of exchange-correlation energies Exc obtained with the generalized gradient approximations (GGAs) of density functional theory, their xc potentials vxc are strongly deficient, yielding upshifts of ca. 5 eV in the orbital energy spectrum (in the order of 50% of high-lying valence orbital energies). The GGAs share this deficiency with the local density approximation (LDA). We argue that this error is not caused by the incorrect long-range asymptotics of vxc or by self-interaction error. It arises from incorrect density dependencies of LDA and GGA exchange functionals leading to incorrect (too repulsive) functional derivatives (i.e., response parts of the potentials). The vxc potential is partitioned into the potential of the xc hole vxchole (twice the xc energy density ɛxc), which determines Exc, and the response potential vresp, which does not contribute to Exc explicitly. The substantial upshift of LDA/GGA orbital energies is due to a too repulsive LDA exchange response potential vxresp L D A in the bulk region. Retaining the LDA exchange hole potential plus the B88 gradient correction to it but replacing the response parts of these potentials by the model orbital-dependent response potential vxresp G L L B of Gritsenko et al. [Phys. Rev. A 51, 1944 (1995)], which has the proper step-wise form, improves the orbital energies by more than an order of magnitude. Examples are given for the prototype molecules: dihydrogen, dinitrogen, carbon monoxide, ethylene, formaldehyde, and formic acid.

  12. Correlation of local structure peculiarities and critical current density of 2G MOCVD YBCO tapes with BaZrO3 nanoinclusions

    Science.gov (United States)

    Menushenkov, A. P.; Ivanov, V. G.; Chepikov, V. N.; Nygaard, R. R.; Soldatenko, A. V.; Rudnev, I. A.; Osipov, M. A.; Mineev, N. A.; Kaul, A. R.; Mathon, O.; Monteseguro, V.

    2017-04-01

    We have studied the influence of BaZrO3 nanoinclusions on the local structure and critical current density of second-generation high temperature superconducting tapes based on YBa2Cu3O7-δ (YBCO) films. The films were made by metal-organic chemical vapor deposition (MOCVD). The crystal and local structure of the materials under study were analysed by x-ray diffraction and x-ray absorption spectroscopy (EXAFS + XANES). We have found that, being added at MOCVD process, Zr forms BaZrO3 nanoinclusions in YBCO matrix. The distance between Zr and the neighboring atoms is shorter than that one in a bulk crystalline BaZrO3, so we conclude that the nanoinclusions are in compressed state. The incorporation of 5 mol% BaZrO3 minimizes the static disorder of Cu-O bonds and maximizes their stiffness in YBCO. We show that the local structure peculiarities correlate well with the observed critical current behavior and consider this to be additional evidence in favor of small amounts of BaZrO3 nanoinclusions as efficient pinning centers.

  13. Motor area localization using fMRI-constrained cortical current density reconstruction of movement-related cortical potentials, a comparison with fMRI and TMS mapping.

    Science.gov (United States)

    Inuggi, Alberto; Filippi, Massimo; Chieffo, Raffaella; Agosta, Federica; Rocca, Maria A; González-Rosa, Javier J; Cursi, Marco; Comi, Giancarlo; Leocani, Letizia

    2010-01-13

    The localization of human hand primary motor area (M1) has been the object of several studies during the last decades. EEG source analysis, functional magnetic resonance imaging (fMRI) and focal transcranial magnetic stimulation (TMS) are non-invasive methods for localizing M1 with good accuracy compared to direct electrocorticography (ECoG) results. EEG sources were reconstructed with Cortical Current Density (CCD) method, allowing to evaluate simultaneous and distributed patterns of activation and to increase accuracy by constraining on information derived from fMRI (fMRI-CCD). The aim of this study was to compare the M1 contribution of movement-related cortical potentials (MRCP) with TMS and fMRI results and to test the effect of constraints strength, algorithm norm and localization methods over CCD reconstruction. Seven right-handed healthy subjects underwent 64-channel EEG recording of MRCP to right thumb movement, focal TMS mapping of the right abductor pollicis brevis muscle and fMRI during right hand movement. We found fMRI activations, EEG sources and TMS mapping corresponding to the anatomical landmark of the hand area in all subjects with fMRI and TMS center-of-gravity and in almost all subjects using fMRI-CCD with moderate constraint. A significant improvement was found using fMRI-CCD compared to CCD alone. This study confirms the usefulness of multimodal integration of fMRI, EEG and TMS in localizing M1 and the possibility to increase EEG spatial resolution using fMRI information.

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

    CERN Document Server

    de Lasson, Jakob Rosenkrantz; Mørk, Jesper; Gregersen, Niels

    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, 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-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.

  15. Tailoring local density of optical states to control emission intensity and anisotropy of quantum dots in hybrid photonic-plasmonic templates

    Science.gov (United States)

    Indukuri, Chaitanya; Mukherjee, Arnab; Basu, J. K.

    2015-03-01

    We report results of controlled tuning of the local density of states (LDOS) in versatile, flexible, and hierarchical self assembled plasmonic templates. Using 5 nm diameter gold (Au) spherical nanoantenna within a polymer template randomly dispersed with quantum dots, we show how the photoluminescence intensity and lifetime anisotropy of these dots can be significantly enhanced through LDOS tuning. Finite difference time domain simulations corroborate the experimental observations and extend the regime of enhancement to a wider range of geometric and spectral parameters bringing out the versatility of these functional plasmonic templates. It is also demonstrated how the templates act as plasmonic resonators for effectively engineer giant enhancement of the scattering efficiency of these nano antenna embedded in the templates. Our work provides an alternative method to achieve spontaneous emission intensity and anisotropy enhancement with true nanoscale plasmon resonators.

  16. Local measurement of the superfluid density in the pnictide superconductor Ba(Fe1-xCox)2As2 across the superconducting dome

    Energy Technology Data Exchange (ETDEWEB)

    2011-08-12

    We measure the penetration depth {lambda}{sub ab}(T) in Ba(Fe{sub 1-x}Co{sub x}){sub 2}As{sub 2} using local techniques that do not average over the sample. The superfluid density {rho}{sub s}(T) {triple_bond} 1/{lambda}{sub ab}(T){sup 2} has three main features. First, {rho}{sub s}(T = 0) falls sharply on the underdoped side of the dome. Second, {lambda}{sub ab}(T) is flat at low T at optimal doping, indicating fully gapped superconductivity, but varies more strongly in underdoped and overdoped samples, consistent with either a power law or a small second gap. Third, {rho}{sub s}(T) varies steeply near T{sub c} for optimal and underdoping. These observations are consistent with an interplay between magnetic and superconducting phases.

  17. Superemitters in Hybrid Photonic Systems: A Simple Lumping Rule for the Local Density of Optical States and its Break-Down at the Unitary Limit

    CERN Document Server

    Frimmer, Martin

    2012-01-01

    We theoretically investigate how the enhancement of the radiative decay rate of a spontaneous emitter provided by coupling to an optical antenna is modified when this "superemitter" is introduced into a complex photonic environment that provides an enhanced local density of optical states (LDOS) itself, such as a microcavity. We show that photonic environments with increased LDOS further boost the performance of antennas that scatter weakly, i.e. that are far from the unitary limit, for which a simple multiplicative LDOS lumping rule holds. In contrast, enhancements provided by antennas close to the unitary limit, i.e. antennas close to the limit of maximally possible scattering strength, are strongly reduced by an enhanced LDOS of the environment. Thus, we identify multiple scattering in hybrid photonic systems as a powerful mechanism for LDOS engineering.

  18. Optimization of generalized dielectric nanostructures for enhanced light trapping in thin-film photovoltaics via boosting the local density of optical states.

    Science.gov (United States)

    Wang, Peng; Menon, Rajesh

    2014-01-13

    Recent work has shown that using a high-index cladding atop a lower-index photovoltaic absorber enables absorption of light beyond the ergodic (4n2) limit. In this paper, we propose a generalized optimization method for deriving optimal geometries that allow for such enhancement. Specifically, we adapted the direct-binary-search algorithm to optimize a complex 2-D multi-layer structure with the explicit goal of increasing photocurrent. We show that such an optimization results in enhancing the local density of optical states in an ultra-thin absorber, which forms a slot-waveguide geometry in the presence of a higher-index overcladding. Numerical simulations confirmed optical absorption approaching 100% and absorption-enhancement beyond the ergodic (4n2) limit for specific spectral bands of interest. Our method provides a direct, intuitive and computationally scalable approach for designing light-trapping nanostructures.

  19. Synthesis, crystal structure analysis, molecular docking studies and density functional theory predictions of the local reactive properties and degradation properties of a novel halochalcone

    Science.gov (United States)

    Arshad, Suhana; Pillai, Renjith Raveendran; Zainuri, Dian Alwani; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul; Armaković, Stevan; Armaković, Sanja J.

    2017-09-01

    In the present study, single crystals of E)-3-(3,5-dichlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one, were prepared and structurally characterized by single crystal X-ray diffraction analysis. The molecular structure crystallized in monoclinic crystal system with P21/c space group. Sensitivity of the title molecule towards electrophilic attacks has been examined by calculations of average localized ionization energies (ALIE) and their mapping to electron density surface. Further determination of atoms that could be important reactive centres has been performed by calculations of Fukui functions. Sensitivity of title molecule towards autoxidation and hydrolysis mechanisms has been assessed by calculations of bond dissociation energies and radial distribution functions (RDF), respectively. Also, in order to explore possible binding mode of the title compound towards Dihydrofolate reductase enzyme, we have utilized in silico molecular docking to explore possible binding modes of the title compound with the DHFR enzyme.

  20. Structure, energetics, and electronic properties of the surface of a promoted MoS{sub 2} catalyst: An ab initio local density functional study

    Energy Technology Data Exchange (ETDEWEB)

    Raybaud, P.; Hafner, J.; Kresse, G.; Kasztelan, S.; Toulhoat, H.

    2000-02-15

    The determination of the local structure of cobalt- or nickel-promoted MoS{sub 2}-based hydrodesulfurization catalysts is of interest for understanding the mechanism leading to an increased activity brought by cobalt or nickel, the so-called synergetic effect. For that reason, the authors carried out ab initio calculations using density functional theory under the generalized gradient approximation for periodic systems. The edge substitution model emerges as the most stable structure and provides an excellent agreement with local structures experimentally determined on real catalysts by in situ extended X-ray absorption fine structure. The authors studied the absorption of sulfur on the active edge surface of the promoted MoS{sub 2} catalyst and determined the equilibrium coverage under sulfiding conditions. It is demonstrated that the incorporation of promoter atoms has a strong influence on the sulfur-metal bond energy at the surface and in particular leads to a reduction of the equilibrium S coverage of the active metal sites. A comparative study on the effects of Co, Ni, and Cu atoms as promoters was performed. Detailed results on the surface electronic structure of promoted MoS{sub 2} are presented.

  1. Upconversion in a Bragg structure: photonic effects of a modified local density of states and irradiance on luminescence and upconversion quantum yield.

    Science.gov (United States)

    Hofmann, Clarissa L M; Herter, Barbara; Fischer, Stefan; Gutmann, Johannes; Goldschmidt, Jan Christoph

    2016-06-27

    In this paper, we present a comprehensive simulation-based analysis of the two photonic effects of a Bragg stack - a modified local density of photon states (LDOS) and an enhanced local irradiance - on the upconversion (UC) luminescence and quantum yield of the upconverter β-NaYF4 doped with 25% Er3+. The investigated Bragg stack consists of alternating layers of TiO2 and Poly(methylmethacrylate), the latter containing upconverter nanoparticles. Using experimentally determined input parameters, the photonic effects are first simulated separately and subsequently coupled in a rate equation model, describing the dynamics of the UC processes within β-NaYF4:25% Er3+. With this integrated simulation model, the Bragg stack design is optimized to maximize either the UC quantum yield (UCQY) or UC luminescence. We find that in an optimized Bragg stack, due to the modified LDOS, the maximum UCQY is enhanced from 14% to 16%, compared to an unstructured layer of upconverter material. Additionally, this maximum UCQY can already be reached at an incident irradiance as low as 100 W/m2. With a Bragg stack design that maximizes UC luminescence, enhancement factors of up to 480 of the UC luminescence can be reached.

  2. Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism.

    Science.gov (United States)

    Zobač, Vladimír; Lewis, James P; Abad, Enrique; Mendieta-Moreno, Jesús I; Hapala, Prokop; Jelínek, Pavel; Ortega, José

    2015-05-08

    The computational simulation of photo-induced processes in large molecular systems is a very challenging problem. Firstly, to properly simulate photo-induced reactions the potential energy surfaces corresponding to excited states must be appropriately accessed; secondly, understanding the mechanisms of these processes requires the exploration of complex configurational spaces and the localization of conical intersections; finally, photo-induced reactions are probability events, that require the simulation of hundreds of trajectories to obtain the statistical information for the analysis of the reaction profiles. Here, we present a detailed description of our implementation of a molecular dynamics with electronic transitions algorithm within the local-orbital density functional theory code FIREBALL, suitable for the computational study of these problems. As an example of the application of this approach, we also report results on the [2 + 2] cycloaddition of ethylene with maleic anhydride and on the [2 + 2] photo-induced polymerization reaction of two C60 molecules. We identify different deactivation channels of the initial electron excitation, depending on the time of the electronic transition from LUMO to HOMO, and the character of the HOMO after the transition.

  3. Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold

    Science.gov (United States)

    Casida, Mark E.; Jamorski, Christine; Casida, Kim C.; Salahub, Dennis R.

    1998-03-01

    This paper presents an evaluation of the performance of time-dependent density-functional response theory (TD-DFRT) for the calculation of high-lying bound electronic excitation energies of molecules. TD-DFRT excitation energies are reported for a large number of states for each of four molecules: N2, CO, CH2O, and C2H4. In contrast to the good results obtained for low-lying states within the time-dependent local density approximation (TDLDA), there is a marked deterioration of the results for high-lying bound states. This is manifested as a collapse of the states above the TDLDA ionization threshold, which is at -ɛHOMOLDA (the negative of the highest occupied molecular orbital energy in the LDA). The -ɛHOMOLDA is much lower than the true ionization potential because the LDA exchange-correlation potential has the wrong asymptotic behavior. For this reason, the excitation energies were also calculated using the asymptotically correct potential of van Leeuwen and Baerends (LB94) in the self-consistent field step. This was found to correct the collapse of the high-lying states that was observed with the LDA. Nevertheless, further improvement of the functional is desirable. For low-lying states the asymptotic behavior of the exchange-correlation potential is not critical and the LDA potential does remarkably well. We propose criteria delineating for which states the TDLDA can be expected to be used without serious impact from the incorrect asymptotic behavior of the LDA potential.

  4. Is It Possible To Obtain Coupled Cluster Quality Energies at near Density Functional Theory Cost? Domain-Based Local Pair Natural Orbital Coupled Cluster vs Modern Density Functional Theory.

    Science.gov (United States)

    Liakos, Dimitrios G; Neese, Frank

    2015-09-08

    The recently developed domain-based local pair natural orbital coupled cluster theory with single, double, and perturbative triple excitations (DLPNO-CCSD(T)) delivers results that are closely approaching those of the parent canonical coupled cluster method at a small fraction of the computational cost. A recent extended benchmark study established that, depending on the three main truncation thresholds, it is possible to approach the canonical CCSD(T) results within 1 kJ (default setting, TightPNO), 1 kcal/mol (default setting, NormalPNO), and 2-3 kcal (default setting, LoosePNO). Although thresholds for calculations with TightPNO are 2-4 times slower than those based on NormalPNO thresholds, they are still many orders of magnitude faster than canonical CCSD(T) calculations, even for small and medium sized molecules where there is little locality. The computational effort for the coupled cluster step scales nearly linearly with system size. Since, in many instances, the coupled cluster step in DLPNO-CCSD(T) is cheaper or at least not much more expensive than the preceding Hartree-Fock calculation, it is useful to compare the method against modern density functional theory (DFT), which requires an effort comparable to that of Hartree-Fock theory (at least if Hartree-Fock exchange is part of the functional definition). Double hybrid density functionals (DHDF's) even require a MP2-like step. The purpose of this article is to evaluate the cost vs accuracy ratio of DLPNO-CCSD(T) against modern DFT (including the PBE, B3LYP, M06-2X, B2PLYP, and B2GP-PLYP functionals and, where applicable, their van der Waals corrected counterparts). To eliminate any possible bias in favor of DLPNO-CCSD(T), we have chosen established benchmark sets that were specifically proposed for evaluating DFT functionals. It is demonstrated that DLPNO-CCSD(T) with any of the three default thresholds is more accurate than any of the DFT functionals. Furthermore, using the aug-cc-pVTZ basis set and

  5. Some relationships between the peak stresses and the local strain energy density for cracks subjected to mixed-mode (I+II loading

    Directory of Open Access Journals (Sweden)

    G. Meneghetti

    2015-07-01

    Full Text Available In this work, a link between the averaged strain energy density (SED approach and the peak stress method in the case of cracks subjected to mixed mode (I+II loading has been investigated. Some closed-form expressions of the strain energy density, averaged in a volume of radius R0, as function of the Stress Intensity Factors are provided for plane strain conditions under mixed mode I+II loadings, the material being thought of as isotropic and linear elastic. On the basis of the peak stress method (PSM some expressions useful to estimate the mode I and mode II stress intensity factors (SIFs have been recently derived. These relationships take advantage of the elastic peak stresses from FE analyses carried out by using a given mesh pattern where the element size and type are kept constants. The evaluation of the SIFs from a numerical analysis of the local stress field usually requires very refined meshes and then large computational effort. The usefulness of the PSM-based expressions is that (i only the elastic peak stresses numerically evaluated at the crack tip are needed and not a set of stress–distance data; (ii the employed meshes are rather coarse if compared to those necessary for the evaluation of the whole local stress field. By substituting the PSM-based relationships in the closed-form expressions of the averaged SED it appears that the latter can be directly estimated by means of the elastic peak stresses evaluated at the crack tip. Several FE analyses have been carried out on cracked plates subjected to tension loading considering different geometrical combinations, varying the length 2a and the inclination ϕ of the crack (i.e. the mode mixity as well as the size d of the adopted finite elements, with the aim to evaluate the local SED and the elastic peak stress components σpeak and τpeak. In all cases the numerical values of the SED derived from the FE analyses have been compared with those analytically obtained by using the

  6. 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

  7. High frame rate and high line density ultrasound imaging for local pulse wave velocity estimation using motion matching: A feasibility study on vessel phantoms.

    Science.gov (United States)

    Li, Fubing; He, Qiong; Huang, Chengwu; Liu, Ke; Shao, Jinhua; Luo, Jianwen

    2016-04-01

    Pulse wave imaging (PWI) is an ultrasound-based method to visualize the propagation of pulse wave and to quantitatively estimate regional pulse wave velocity (PWV) of the arteries within the imaging field of view (FOV). To guarantee the reliability of PWV measurement, high frame rate imaging is required, which can be achieved by reducing the line density of ultrasound imaging or transmitting plane wave at the expense of spatial resolution and/or signal-to-noise ratio (SNR). In this study, a composite, full-view imaging method using motion matching was proposed with both high temporal and spatial resolution. Ultrasound radiofrequency (RF) data of 4 sub-sectors, each with 34 beams, including a common beam, were acquired successively to achieve a frame rate of ∼507 Hz at an imaging depth of 35 mm. The acceleration profiles of the vessel wall estimated from the common beam were used to reconstruct the full-view (38-mm width, 128-beam) image sequence. The feasibility of mapping local PWV variation along the artery using PWI technique was preliminarily validated on both homogeneous and inhomogeneous polyvinyl alcohol (PVA) cryogel vessel phantoms. Regional PWVs for the three homogeneous phantoms measured by the proposed method were in accordance with the sparse imaging method (38-mm width, 32-beam) and plane wave imaging method. Local PWV was estimated using the above-mentioned three methods on 3 inhomogeneous phantoms, and good agreement was obtained in both the softer (1.91±0.24 m/s, 1.97±0.27 m/s and 1.78±0.28 m/s) and the stiffer region (4.17±0.46 m/s, 3.99±0.53 m/s and 4.27±0.49 m/s) of the phantoms. In addition to the improved spatial resolution, higher precision of local PWV estimation in low SNR circumstances was also obtained by the proposed method as compared with the sparse imaging method. The proposed method might be helpful in disease detections through mapping the local PWV of the vascular wall.

  8. 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.

  9. Temporal Changes in Local Functional Connectivity Density Reflect the Temporal Variability of the Amplitude of Low Frequency Fluctuations in Gray Matter.

    Directory of Open Access Journals (Sweden)

    D Tomasi

    Full Text Available Data-driven functional connectivity density (FCD mapping is being increasingly utilized to assess brain connectomics at rest in the healthy brain and its disruption in neuropsychiatric diseases with the underlying assumption that the spatiotemporal hub distribution is stationary. However, recent studies show that functional connectivity is highly dynamic. Here we study the temporal variability of the local FCD (lFCD at high spatiotemporal resolution (2-mm isotropic; 0.72s using a sliding-window approach and 'resting-state' datasets from 40 healthy subjects collected under the Human Connectome Project. Prominent functional connectivity hubs in visual and posterior parietal cortices had pronounced temporal changes in local FCD. These dynamic patterns in the strength of the lFCD hubs occurred in cortical gray matter with high sensitivity (up to 85% and specificity (> 85% and showed high reproducibility (up to 72% across sessions and high test-retest reliability (ICC(3,1 > 0.5. The temporal changes in lFCD predominantly occurred in medial occipitoparietal regions and were proportional to the strength of the connectivity hubs. The temporal variability of the lFCD was associated with the amplitude of the low frequency fluctuations (ALFF. Pure randomness did not account for the probability distribution of lFCD. Shannon entropy increased in proportion to the strength of the lFCD hubs suggesting high average flow of information per unit of time in the lFCD hubs, particularly in medial occipitoparietal regions. Thus, the higher dynamic range of the lFCD hubs is consistent with their role in the complex orchestration of interacting brain networks.

  10. More on gapped Goldstones at finite density: More gapped Goldstones

    CERN Document Server

    Nicolis, Alberto; Piazza, Federico; Rosen, Rachel A

    2013-01-01

    It was recently argued that certain relativistic theories at finite density can exhibit an unconventional spectrum of Goldstone excitations, with gapped Goldstones whose gap is exactly calculable in terms of the symmetry algebra. We confirm this result as well as previous ones concerning gapless Goldstones for non-relativistic systems via a coset construction of the low-energy effective field theory. Moreover, our analysis unveils additional gapped Goldstones, naturally as light as the others, but this time with a model-dependent gap. Their exact number cannot be inferred solely from the symmetry breaking pattern either, but rather depends on the details of the symmetry breaking mechanism--a statement that we explicitly verify with a number of examples. Along the way we provide what we believe to be a particularly transparent interpretation of the so-called inverse-Higgs constraints for spontaneously broken spacetime symmetries.

  11. Median Statistics and the Mass Density of the Universe

    CERN Document Server

    Chen, G; Chen, Gang; Ratra, Bharat

    2003-01-01

    We use weighted mean and median statistics techniques to combine individual estimates of Omega_m0, the present mean mass density in non-relativistic matter, and determine the observed values and ranges of Omega_m0 from different combinations of data. The derived weighted mean Omega_m0 values are not good representatives of the individual measurements, under the assumptions of Gaussianity and negligible correlation between the individual measurements. This could mean that some observational error bars are under-estimated. Discarding the most discrepant about 5% of the measurements generally alleviates but does not completely resolve this problem. While the results derived from the different combinations of data are not identical, they are mostly consistent, and a reasonable summary of the median statistics analyses is 0.2 <= Omega_m0 <= 0.35 at two standard deviations.

  12. Some exact solutions of the local induction equation for motion of a vortex in a Bose-Einstein condensate with Gaussian density profile

    CERN Document Server

    Ruban, V P

    2016-01-01

    The dynamics of a vortex filament in a trapped Bose-Einstein condensate is considered when the equilibrium density of the condensate, in rotating with angular velocity ${\\bf\\Omega}$ coordinate system, is Gaussian with a quadratic form ${\\bf r}\\cdot\\hat D{\\bf r}$. It is shown that equation of motion of the filament in the local induction approximation admits a class of exact solutions in the form of a straight moving vortex, ${\\bf R}(\\beta,t)=\\beta {\\bf M}(t) +{\\bf N}(t)$, where $\\beta$ is a longitudinal parameter, and $t$ is the time. The vortex is in touch with an ellipsoid, as it follows from the conservation laws ${\\bf N}\\cdot \\hat D {\\bf N}=C_1$ and ${\\bf M}\\cdot \\hat D {\\bf N}=C_0=0$. Equation of motion for the tangent vector ${\\bf M}(t)$ turns out to be closed, and it has the integrals ${\\bf M}\\cdot \\hat D {\\bf M}=C_2$, $(|{\\bf M}| -{\\bf M}\\cdot\\hat G{\\bf \\Omega})=C$, where the matrix $\\hat G=2(\\hat I \\mbox{Tr\\,} \\hat D -\\hat D)^{-1}$. Intersection of the corresponding level surfaces determines trajecto...

  13. Simulating Ru L3-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, N.; Schoenlein, R. W.; Govind, Niranjan; Khalil, Munira

    2013-05-01

    Ruthenium L2,3-edge X-ray absorption (XA) spectroscopy probes transitions from core 2p orbitals to the 4d levels of the atom and is a powerful tool for interrogating the local electronic and molecular structure around the metal atom. However, a molecular-level interpretation of the Ru L2,3-edge spectral lineshapes is often complicated by spin–orbit coupling (SOC) and multiplet effects. In this study, we develop spin-free time-dependent density functional theory (TDDFT) as a viable and predictive tool to simulate the Ru L3-edge spectra. We successfully simulate and analyze the ground state Ru L3-edge XA spectra of a series of RuII and RuIII complexes: [Ru(NH3)6]2+/3+, [Ru(CN)6]4-/3-, [RuCl6]4-/3-, and the ground (1A1) and photoexcited (3MLCT) transient states of [Ru(bpy)3]2+ and Ru(dcbpy)2(NCS)2 (termed N3). The TDDFT simulations reproduce all the experimentally observed features in Ru L3-edge XA spectra. The advantage of using TDDFT to assign complicated Ru L3-edge spectra is illustrated by its ability to identify ligand specific charge transfer features in complex molecules. We conclude that the B3LYP functional is the most reliable functional for accurately predicting the location of charge transfer features in these spectra. Experimental and simulated Ru L3-edge XA spectra are presented for the transition metal mixed-valence dimers [(NC)5MII-CN-RuIII(NH3)5]- (where M = Fe or Ru) dissolved in water. We explore the spectral signatures of electron delocalization in Ru L3-edge XA spectroscopy and our simulations reveal that the inclusion of explicit solvent molecules is crucial for reproducing the experimentally determined valencies, highlighting the importance of the role of the solvent in transition metal charge transfer chemistry.

  14. Localized orbital corrections applied to thermochemical errors in density functional theory: The role of basis set and application to molecular reactions.

    Science.gov (United States)

    Goldfeld, Dahlia A; Bochevarov, Arteum D; Friesner, Richard A

    2008-12-07

    This paper is a logical continuation of the 22 parameter, localized orbital correction (LOC) methodology that we developed in previous papers [R. A. Friesner et al., J. Chem. Phys. 125, 124107 (2006); E. H. Knoll and R. A. Friesner, J. Phys. Chem. B 110, 18787 (2006).] This methodology allows one to redress systematic density functional theory (DFT) errors, rooted in DFT's inherent inability to accurately describe nondynamical correlation. Variants of the LOC scheme, in conjunction with B3LYP (denoted as B3LYP-LOC), were previously applied to enthalpies of formation, ionization potentials, and electron affinities and showed impressive reduction in the errors. In this paper, we demonstrate for the first time that the B3LYP-LOC scheme is robust across different basis sets [6-31G( *), 6-311++G(3df,3pd), cc-pVTZ, and aug-cc-pVTZ] and reaction types (atomization reactions and molecular reactions). For example, for a test set of 70 molecular reactions, the LOC scheme reduces their mean unsigned error from 4.7 kcal/mol [obtained with B3LYP/6-311++G(3df,3pd)] to 0.8 kcal/mol. We also verified whether the LOC methodology would be equally successful if applied to the promising M05-2X functional. We conclude that although M05-2X produces better reaction enthalpies than B3LYP, the LOC scheme does not combine nearly as successfully with M05-2X than with B3LYP. A brief analysis of another functional, M06-2X, reveals that it is more accurate than M05-2X but its combination with LOC still cannot compete in accuracy with B3LYP-LOC. Indeed, B3LYP-LOC remains the best method of computing reaction enthalpies.

  15. Identification of candidate gene regions in the rat by co-localization of QTLs for bone density, size, structure and strength.

    Directory of Open Access Journals (Sweden)

    Sofia Lagerholm

    Full Text Available Susceptibility to osteoporotic fracture is influenced by genetic factors that can be dissected by whole-genome linkage analysis in experimental animal crosses. The aim of this study was to characterize quantitative trait loci (QTLs for biomechanical and two-dimensional dual-energy X-ray absorptiometry (DXA phenotypes in reciprocal F2 crosses between diabetic GK and normo-glycemic F344 rat strains and to identify possible co-localization with previously reported QTLs for bone size and structure. The biomechanical measurements of rat tibia included ultimate force, stiffness and work to failure while DXA was used to characterize tibial area, bone mineral content (BMC and areal bone mineral density (aBMD. F2 progeny (108 males, 98 females were genotyped with 192 genome-wide markers followed by sex- and reciprocal cross-separated whole-genome QTL analyses. Significant QTLs were identified on chromosome 8 (tibial area; logarithm of odds (LOD = 4.7 and BMC; LOD = 4.1 in males and on chromosome 1 (stiffness; LOD = 5.5 in females. No QTLs showed significant sex-specific interactions. In contrast, significant cross-specific interactions were identified on chromosome 2 (aBMD; LOD = 4.7 and chromosome 6 (BMC; LOD = 4.8 for males carrying F344mtDNA, and on chromosome 15 (ultimate force; LOD = 3.9 for males carrying GKmtDNA, confirming the effect of reciprocal cross on osteoporosis-related phenotypes. By combining identified QTLs for biomechanical-, size- and qualitative phenotypes (pQCT and 3D CT from the same population, overlapping regions were detected on chromosomes 1, 3, 4, 6, 8 and 10. These are strong candidate regions in the search for genetic risk factors for osteoporosis.

  16. 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.

  17. 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.

  18. Density functional calculations of large systems containing heavy elements by means of the regionalization algorithm

    Institute of Scientific and Technical Information of China (English)

    HU Xiangqian; LI Lemin

    2004-01-01

    The regionalized computational method is extended to the non-relativistic, scalar and 2-component relativistic density functional calculation of large systems containing transition series or heavy main-group metal elements. A large system is divided into several regions which can be considered as relatively independent quantum mechanical subsystems. Taking into account the Coulomb and exchange-correlation potentials as well as the Pauli repulsion exerted by the other subsystems, the Kohn-Sham equation related to subsystem K can be written as: (FK+FKP)CK =SKCKεK K=A,B,C,…,where FK,CK,SK,εK are the Fock matrix, the matrix of combination coefficients of orbitals, the overlap matrix of basis sets and the energy eigenvalue matrix, respectively. The matrix FKP reflects the Pauli repulsion from the other subsystems.FK may be non-relativistic, scalar or 2-component relativistic Fock matrix determined by the theoretical method related to the density functional calculations. The other matrices are mated with FK. Solving the Kohn-Sham equation for every subsystem and combining the results from the subsystem calculations, the electronic structural information of the whole system is derived. The density functional calculation of several molecules containing transition metal Ni or heavy main-group metal Tl or Bi is performed by the afore-mentioned regionalization algorithm. The obtained results for each molecule are compared with those from the density functional calculation of that molecule in its entirety in order to check the feasibility of the regionalization algorithm. It is found that with sufficiently large regional basis set in the subsystem calculation the accuracy of the results calculated by the regionalization algorithm is essentially the same as that from the calculation of the molecule in its entirety. With proper smaller regional basis sets the accuracy of the results calculated with the regionalization algorithm can still match the actual accuracy of the

  19. Dynamics of Holographic Entanglement Entropy Following a Local Quench

    CERN Document Server

    Rangamani, Mukund; Vincart-Emard, Alexandre

    2015-01-01

    We discuss the behaviour of holographic entanglement entropy following a local quench in 2+1 dimensional strongly coupled CFTs. The entanglement generated by the quench propagates along an emergent light-cone, reminiscent of the Lieb-Robinson light-cone propagation of correlations in non-relativistic systems. We find the the speed of propagation is bounded from below by the entanglement tsunami velocity obtained earlier for global quenches in holographic systems, and from above by the speed of light. The former is realized for sufficiently broad quenches, while the latter pertains for well localized quenches. The non-universal behavior in the intermediate regime appears to stem from finite-size effects. We also note that the entanglement entropy of subsystems reverts to the equilibrium value exponentially fast, in contrast to a much slower equilibration seen in certain spin models.

  20. 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.

    Science.gov (United States)

    Park, Hye-Rin; Shin, Sae-Ron; Han, A Lum; Jeong, Yong Joon

    2015-11-01

    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. 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 subcutaneous fat areas were measured by computed tomography using a single computed tomography slice at the L4-5 lumbar level. We analyzed the association between the triglyceride to high density lipoprotein cholesterol ratio and visceral fat as well as cardiovascular risk factors. A positive correlation was found between the triglyceride to high density lipoprotein cholesterol ratio and variables such as body mass index, waist circumference, fasting plasma glucose, hemoglobin A1c, visceral fat, and the visceral-subcutaneous fat ratio. However, there was no significant correlation between the triglyceride to high density lipoprotein cholesterol ratio and subcutaneous fat or blood pressure. Multiple logistic regression analyses revealed significant associations between a triglyceride to high density lipoprotein cholesterol ratio ≥3 and diabetes, a body mass index ≥25 kg/m(2), a waist circumference ≥90 cm, and a visceral fat area ≥100 cm(2). The triglyceride to high density lipoprotein cholesterol ratio was not significantly associated with hypertension. There were significant associations between the triglyceride to high density lipoprotein cholesterol ratio and body mass, waist circumference, diabetes, and visceral fat among a clinical sample of Korean men. In the clinical setting, the triglyceride to high density lipoprotein cholesterol ratio may be a simple and useful indicator for visceral obesity and cardiovascular disease.

  1. Effect of deviation from local thermodynamic equilibrium on the Goldberg-Unno method. [turbulence effects on optical density in the solar photosphere

    Science.gov (United States)

    Troyan, V. I.

    1974-01-01

    The dependence of turbulent velocity on optical depth was studied by use of the Goldberg-Unno method, with allowance made for the influence of deviation from the local thermodynamic equilibrium. It was found that allowance for deviation from local thermodynamic equilibrium displaces the curve of dependence of turbulent velocity on optical depth along two axes.

  2. 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.

  3. Dust Attenuation in UV-selected Starbursts at High Redshift and Their Local Counterparts: Implications for the Cosmic Star Formation Rate Density

    Science.gov (United States)

    Overzier, Roderik A.; Heckman, Timothy M.; Wang, Jing; Armus, Lee; Buat, Veronique; Howell, Justin; Meurer, Gerhardt; Seibert, Mark; Siana, Brian; Basu-Zych, Antara; Charlot, Stéphane; Gonçalves, Thiago S.; Martin, D. Christopher; Neill, James D.; Rich, R. Michael; Salim, Samir; Schiminovich, David

    2011-01-01

    We present a new analysis of the dust obscuration in starburst galaxies at low and high redshifts. This study is motivated by our unique sample of the most extreme UV-selected starburst galaxies in the nearby universe (z extinction is used to estimate the integrated, dust-corrected SFR density at z ~= 2-6.

  4. 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.

  5. Revision of single atom local density and capture number varying with coverage in uniform depletion approximation and its effect on coalescence and number of stable clusters

    Institute of Scientific and Technical Information of China (English)

    Shao Qing-Yi; Zhang Juan

    2011-01-01

    In vapour deposition,single atoms(adatoms)on the substrate surface are the main source of growth.The change in its density plays a decisive role in the growth of thin films and quantum size islands.In the nucleation and cluster coalescence stages of vapour deposition,the growth of stable clusters occurs on the substrate surface covered by stable clusters.Nucleation occurs in the non-covered part,while the total area covered by stable clusters on the substrate surface will gradually increase.Carefully taking into account the coverage effect,a revised single atom density rate equation is given for the famous and widely used thin-film rate equation theory,but the work of solving the revised equation has not been done.In this paper,we solve the equation and obtain the single-atom density and capture number by using a uniform depletion approximation.We determine that the single atom density is much lower than that evaluated from the single atom density rate equation in the traditional rate equation theory when the stable cluster coverage fraction is large,and it goes down very fast with an increase in the coverage fraction.The revised equation gives a higher value for the 'average' capture number than the present equation. It also increases with increasing coverage.That makes the preparation of single crystalline thin film materials difficult and the size control of quantum size islands complicated.We also discuss the effect of the revision on coalescence and the number of stable clusters in vapour deposition.

  6. Effect of curing by products coating on localized heat generation and dielectric breakdown in low-density polyethylene film; Teimitsudo poriechiren firumu no kyokusho hatsunetsu to zetsuen hakai ni oyobosu kakyozai bunkai zansa tofu no eikyo

    Energy Technology Data Exchange (ETDEWEB)

    Tsurimoto, T.; Nagao, M.; Kosaki, M. [Toyohashi Univ. of Technology, Aici (Japan); Mizuno, Y. [Nagoya Inst. of Technology, Nagoya (Japan)

    1996-08-20

    Polyethylene is used widely as electrical insulating materials for electric power cables, while the heat-resistance and mechanical properties of low-density polyethylene are problematic since the crystal melting point thereof is around 105 to 110{degree}C. In this paper, curing by-products such as acetophenone are coated on the surface of low-density polyethylene film specimens to make the same diffusing into said specimen, and the effects thereof on localized heat generation and dielectric breakdown are examined. The following matters are clarified by the results of this study. Under dc voltage application, the increasing of temperature is observable in lower electrical field and more remarkable localized heat generation can be found simultaneously with the decrease of breakdown strength in said specimens compared with an un-coated specimen. Especially in acetophenone-coated specimen, dielectric breakdown strength is decreased to about half. Under ac voltage application, localized heat generation is increased and breakdown strength is decreased somewhat. 14 refs., 10 figs., 1 tab.

  7. Ground-based observations of Saturn's auroral ionosphere over three days: Trends in H3+ temperature, density and emission with Saturn local time and planetary period oscillation

    Science.gov (United States)

    O'Donoghue, James; Melin, Henrik; Stallard, Tom S.; Provan, G.; Moore, Luke; Badman, Sarah V.; Cowley, Stan W. H.; Baines, Kevin H.; Miller, Steve; Blake, James S. D.

    2016-01-01

    On 19-21 April 2013, the ground-based 10-m W.M. Keck II telescope was used to simultaneously measure H3+ emissions from four regions of Saturn's auroral ionosphere: (1) the northern noon region of the main auroral oval; (2) the northern midnight main oval; (3) the northern polar cap and (4) the southern noon main oval. The H3+ emission from these regions was captured in the form of high resolution spectral images as the planet rotated. The results herein contain twenty-three H3+ temperatures, column densities and total emissions located in the aforementioned regions - ninety-two data points in total, spread over timescales of both hours and days. Thermospheric temperatures in the spring-time northern main oval are found to be cooler than their autumn-time southern counterparts by tens of K, consistent with the hypothesis that the total thermospheric heating rate is inversely proportional to magnetic field strength. The main oval H3+ density and emission is lower at northern midnight than it is at noon, in agreement with a nearby peak in the electron influx in the post-dawn sector and a minimum flux at midnight. Finally, when arranging the northern main oval H3+ parameters as a function of the oscillation period seen in Saturn's magnetic field - the planetary period oscillation (PPO) phase - we see a large peak in H3+ density and emission at ∼115° northern phase, with a full-width at half-maximum (FWHM) of ∼44°. This seems to indicate that the influx of electrons associated with the PPO phase at 90° is responsible at least in part for the behavior of all H3+ parameters. A combination of the H3+ production and loss timescales and the ±10° uncertainty in the location of a given PPO phase are likely, at least in part, to be responsible for the observed peaks in H3+ density and emission occurring at a later time than the peak precipitation expected at 90° PPO phase.

  8. 高密度无线传感器网络分簇定位算法%Cluster localization scheme for high-density wireless sensor networks

    Institute of Scientific and Technical Information of China (English)

    刘瑜; 衣晓; 何友

    2012-01-01

    The node self-localization is one of the supporting technologies in wireless sensor networks. A distributed cluster localization scheme (linear programming-cluster localization scheme, LP-CLS) is introduced, which is based on linear programming. First, the authority of node is defined as the criterion for voting cluster and the distance between neighbor nodes is estimated by the relation between received signal strength indicator and communication range. Then, according to linear programming, the relative coordinates of nodes in a cluster are calculated out by the relevant cluster node. Finally, starting from sink node, coordinates between neighbor clusters are combined and the whole relative coordinates are converted to absolute coordinate. The simulation results indicate that LP-CLS outperforms Convex significantly in the aspect of localization accuracy and algorithm complication whether nodes are placed regularly or randomly.%节点自身定位是无线传感器网络应用的支撑技术之一.提出了一种适用于大规模高密度无线传感器网络的分簇定位算法.首先定义了节点的势作为簇首选举依据,网络中节点间的距离由接收信号强度和通信半径的关系间接计算得到,各簇内的拓扑信息由簇首保存,簇首利用线性规划法实现簇内相对定位;随后从sink节点开始逐步进行簇间位置融合,最终实现全网的绝对定位.相比集中式的凸规划定位算法,所提算法计算复杂度低、通信量小、定位精度高,且不需要预先知道环境中的信号衰减因子,有一定的抗噪声干扰能力.仿真结果显示,在节点按均匀网格分布和均匀随机分布两种情况下,所提算法能取得较好的定位效果.

  9. Evaluating the significance of density, localization, and PD-1/PD-L1 immunopositivity of mononuclear cells in the clinical course of lung adenocarcinoma patients with brain metastasis

    DEFF Research Database (Denmark)

    Téglási, Vanda; Reiniger, Lilla; Fabian, Katalin

    2017-01-01

    therapeutic strategies with these agents. The aim of this study was to characterize the distribution of ICs and determine the expression of the checkpoint molecules programmed death protein 1 (PD-1) and its ligand, PD-L1, in brain metastasis of lung adenocarcinoma (LUAD) patients and to analyze......Background. Management of lung cancer patients who suffer from brain metastases represents a major challenge. Considering the promising results with immune checkpoint inhibitor treatment, evaluating the status of immune cell (IC) infiltrates in the prognosis of brain metastasis may lead to better...... their clinicopathological correlations. Methods. We determined the presence of peritumoral mononuclear cells (mononuclear ring) and the density of intratumoral stromal mononuclear cells on brain metastasis tissue sections of 208 LUAD patients. PD-L1/PD-1 expressions were analyzed by immunohistochemistry. Results...

  10. Linear-scaling time-dependent density-functional theory (TDDFT) beyond the Tamm-Dancoff approximation: obtaining efficiency and accuracy with in situ optimised local orbitals

    CERN Document Server

    Zuehlsdorff, Tim J; Payne, Mike C; Haynes, Peter D

    2015-01-01

    We present a solution of the full 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 subspace 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-gradients algorithm that is very memory-efficient. The algorithm is validated on a 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 (BChl) i...

  11. 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.

  12. Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals

    Science.gov (United States)

    Zuehlsdorff, T. J.; Hine, N. D. M.; Payne, M. C.; Haynes, P. D.

    2015-11-01

    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.

  13. Dust Attenuation in UV-selected Starbursts at High Redshift and their Local Counterparts: Implications for the Cosmic Star Formation Rate Density

    CERN Document Server

    Overzier, Roderik; Wang, Jing; Armus, Lee; Buat, Veronique; Howell, Justin; Meurer, Gerhardt; Seibert, Mark; Siana, Brian; Basu-Zych, Antara; Charlot, Stéphane; Gonçalves, Thiago S; Martin, D Christopher; Neill, James D; Rich, R Michael; Salim, Samir; Schiminovich, David

    2010-01-01

    We present a new analysis of the dust obscuration in starburst galaxies at low and high redshift. This study is motivated by our unique sample of the most extreme UV-selected starburst galaxies in the nearby universe (z<0.3), found to be good analogs of high-redshift Lyman Break Galaxies (LBGs) in most of their physical properties. We find that the dust properties of the Lyman Break Analogs (LBAs) are consistent with the relation derived previously by Meurer et al. (M99) that is commonly used to dust-correct star formation rate measurements at a very wide range of redshifts. We directly compare our results with high redshift samples (LBGs, BzK, and sub-mm galaxies at z=2-3) having IR data either from Spitzer or Herschel. The attenuation in typical LBGs at z=2-3 and LBAs is very similar. Because LBAs are much better analogs to LBGs compared to previous local star-forming samples, including M99, the practice of dust-correcting the SFRs of high redshift galaxies based on the local calibration is now placed on...

  14. 局部密度嵌入的结构单类支持向量机%A new structured one-class support vector machine with local density embedding

    Institute of Scientific and Technical Information of China (English)

    赵加敏; 冯爱民; 刘学军

    2012-01-01

    针对现有单类分类器对目标数据先验信息考虑的不足,在结构单类支持向量机(structure done—class support vector machine,SOCSVM)中嵌入局部密度信息,提出局部密度嵌入的结构单类支持向量机(SOCSVM with local density embedding ldSOCSVM)。借助K近邻(K-nearest neighbor,KNN)揭示目标数据局部密度,并进一步诱导出权重因子作用于样本点。该算法充分利用目标数据的全局信息及局部密度信息,从而提高分类器的泛化能力。UCI数据集上的实验结果验证了ldSOCSVM的有效性。%To improve the generalization ability of one-class classifier, more prior knowledge were taken into account on the existed models. A new structured one-class support vector machine with local density embedding (ldSOCSVM) was proposed, which could embed local information of target data into the structured one-class support vector machine (SOCSVM). By means of K-nearest neighbor, the weighted factor was extracted and applied to the corresponding sam- ples by fully utilizing local information with the global ones inherited from SOCSVM, the ldSOCSVM improved the generalization ability. Experimental results on UCI datasets showed that the proposed classifier could achieve better gen- eralization capability compared with related algorithms.

  15. Ground-based Pa$\\alpha$ Narrow-band Imaging of Local Luminous Infrared Galaxies I: Star Formation Rates and Surface Densities

    CERN Document Server

    Tateuchi, Ken; Motohara, Kentaro; Takahashi, Hidenori; Kato, Natsuko Mitani; Kitagawa, Yutaro; Todo, Soya; Toshikawa, Koji; Sako, Shigeyuki; Uchimoto, Yuka K; Ohsawa, Ryou; Asano, Kentaro; Ita, Yoshifusa; Kamizuka, Takafumi; Komugi, Shinya; Koshida, Shintaro; Manabe, Sho; Nakamura, Tomohiko; Nakashima, Asami; Okada, Kazushi; Takagi, Toshinobu; Tanabé, Toshihiko; Uchiyama, Mizuho; Aoki, Tsutomu; Doi, Mamoru; Handa, Toshihiro; Kawara, Kimiaki; Kohno, Kotaro; Minezaki, Takeo; Miyata, Takashi; Morokuma, Tomoki; Soyano, Takeo; Tamura, Yoichi; Tanaka, Masuo; Tarusawa, Ken'ichi; Yoshii, Yuzuru

    2014-01-01

    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 the optical wavelength. We have carried out Pa$\\alpha$ narrow-band imaging observations of 38 nearby star-forming galaxies including 33 LIRGs listed in $IRAS$ RBGS catalog with the Atacama Near InfraRed camera (ANIR) on the University of Tokyo Atacama Observatory (TAO) 1.0 m telescope (miniTAO). Star formation rates (SFRs) estimated from the Pa$\\alpha$ fluxes, corrected for dust extinction using the Balmer Decrement Method (typically $A_V$ $\\sim$ 4.3 mag), show a good correlation with those from the bolometric infrared luminosity of $IRAS$ data within a scatter of 0.27 dex. This suggests that the correction of dust extinction for Pa$\\alpha$ flux is sufficient in our sample. We measure the physical sizes and the surface density of infrared luminosities ($\\Sigma_{L(\\mathrm{IR})}$) and $SFR$ ($\\Sigma_{SFR}$) of star-forming region for individual ga...

  16. Balloon-Borne Submillimeter Polarimetry of the Vela C Molecular Cloud: Systematic Dependence of Polarization Fraction on Column Density and Local Polarization-Angle Dispersion

    CERN Document Server

    Fissel, Laura M; Angilè, Francesco E; Ashton, Peter; Benton, Steven; Devlin, Mark J; Dober, Bradley; Fukui, Yasuo; Galitzki, Nicholas; Gandilo, Natalie N; Klein, J R; Li, Zhi-Yun; Korotkov, Andrei L; Martin, Peter G; Matthews, Tristan G; Moncelsi, Lorenzo; Nakamura, Fumitaka; Netterfield, C Barth; Novak, Giles; Pascale, Enzo; Poidevin, Frédérick; Santos, Fabio P; Savini, Giorgio; Scott, Douglas; Shariff, Jamil A; Soler, Juan D; Thomas, Nicholas E; Tucker, Carole E; Tucker, Gregory S; Ward-Thompson, Derek

    2015-01-01

    We present results for Vela C obtained during the 2012 flight of the Balloon-borne Large Aperture Submillimeter Telescope for Polarimetry (BLASTPol). We mapped polarized intensity across almost the entire extent of this giant molecular cloud, in bands centered at 250, 350, and 500 {\\mu}m. In this initial paper, we show our 500 {\\mu}m data smoothed to a resolution of 2.5 arcminutes (approximately 0.5 pc). We show that the mean level of the fractional polarization p and most of its spatial variations can be accounted for using an empirical three-parameter power-law fit, p = p_0 N^(-0.4) S^(-0.6), where N is the hydrogen column density and S is the polarization-angle dispersion on 0.5 pc scales. The decrease of p with increasing S is expected because changes in the magnetic field direction within the cloud volume sampled by each measurement will lead to cancellation of polarization signals. The decrease of p with increasing N might be caused by the same effect, if magnetic field disorder increases for high colum...

  17. Effect of neoadjuvant chemotherapy on low-density lipoprotein (LDL) receptor and LDL receptor-related protein 1 (LRP-1) receptor in locally advanced breast cancer

    Energy Technology Data Exchange (ETDEWEB)

    Pires, L.A. [Laboratório de Metabolismo de Lípides, Instituto do Coração, Faculdade de Medicina, Hospital das Clínicas, Universidade de São Paulo, São Paulo, SP (Brazil); Departamento de Ginecologia, Faculdade de Medicina, Hospital das Clínicas, Universidade de São Paulo, São Paulo, SP (Brazil); Hegg, R. [Departamento de Ginecologia, Faculdade de Medicina, Hospital das Clínicas, Universidade de São Paulo, São Paulo, SP (Brazil); Freitas, F.R.; Tavares, E.R.; Almeida, C.P. [Laboratório de Metabolismo de Lípides, Instituto do Coração, Faculdade de Medicina, Hospital das Clínicas, Universidade de São Paulo, São Paulo, SP (Brazil); Baracat, E.C. [Departamento de Ginecologia, Faculdade de Medicina, Hospital das Clínicas, Universidade de São Paulo, São Paulo, SP (Brazil); Maranhão, R.C. [Laboratório de Metabolismo de Lípides, Instituto do Coração, Faculdade de Medicina, Hospital das Clínicas, Universidade de São Paulo, São Paulo, SP (Brazil); Faculdade de Ciências Farmacêuticas, Universidade de São Paulo, São Paulo, SP (Brazil)

    2012-05-04

    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.

  18. Maize varieties released in different eras have similar root length density distributions in the soil, which are negatively correlated with local concentrations of soil mineral nitrogen.

    Directory of Open Access Journals (Sweden)

    Peng Ning

    Full Text Available Larger, and deeper, root systems of new maize varieties, compared to older varieties, are thought to have enabled improved acquisition of soil resources and, consequently, greater grain yields. To compare the spatial distributions of the root systems of new and old maize varieties and their relationships with spatial variations in soil concentrations of available nitrogen (N, phosphorus (P and potassium (K, two years of field experiments were performed using six Chinese maize varieties released in different eras. Vertical distributions of roots, and available N, P and K in the 0-60 cm soil profile were determined in excavated soil monoliths at silking and maturity. The results demonstrated that new maize varieties had larger root dry weight, higher grain yield and greater nutrient accumulation than older varieties. All varieties had similar total root length and vertical root distribution at silking, but newer varieties maintained greater total root length and had more roots in the 30-60 cm soil layers at maturity. The spatial variation of soil mineral N (Nmin in each soil horizon was larger than that of Olsen-P and ammonium-acetate-extractable K, and was inversely correlated with root length density (RLD, especially in the 0-20 cm soil layer. It was concluded that greater acquisition of mineral nutrients and higher yields of newer varieties were associated with greater total root length at maturity. The negative relationship between RLD and soil Nmin at harvest for all varieties suggests the importance of the spatial distribution of the root system for N uptake by maize.

  19. 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 ε1 phase and a higher pressure NM ε0 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 O2 molecules in the (O2)4 unit cell were studied. Full enthalpy-driven geometry optimizations of the (O2)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 (O2)4 unit cell for the low-pressure regime of the ε phase.

  20. Maize varieties released in different eras have similar root length density distributions in the soil, which are negatively correlated with local concentrations of soil mineral nitrogen.

    Science.gov (United States)

    Ning, Peng; Li, Sa; White, Philip J; Li, Chunjian

    2015-01-01

    Larger, and deeper, root systems of new maize varieties, compared to older varieties, are thought to have enabled improved acquisition of soil resources and, consequently, greater grain yields. To compare the spatial distributions of the root systems of new and old maize varieties and their relationships with spatial variations in soil concentrations of available nitrogen (N), phosphorus (P) and potassium (K), two years of field experiments were performed using six Chinese maize varieties released in different eras. Vertical distributions of roots, and available N, P and K in the 0-60 cm soil profile were determined in excavated soil monoliths at silking and maturity. The results demonstrated that new maize varieties had larger root dry weight, higher grain yield and greater nutrient accumulation than older varieties. All varieties had similar total root length and vertical root distribution at silking, but newer varieties maintained greater total root length and had more roots in the 30-60 cm soil layers at maturity. The spatial variation of soil mineral N (Nmin) in each soil horizon was larger than that of Olsen-P and ammonium-acetate-extractable K, and was inversely correlated with root length density (RLD), especially in the 0-20 cm soil layer. It was concluded that greater acquisition of mineral nutrients and higher yields of newer varieties were associated with greater total root length at maturity. The negative relationship between RLD and soil Nmin at harvest for all varieties suggests the importance of the spatial distribution of the root system for N uptake by maize.

  1. 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...

  2. Intrinsic-Density Functionals

    CERN Document Server

    Engel, J

    2006-01-01

    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.

  3. Holographic Schwinger effect in non-relativistic backgrounds

    Energy Technology Data Exchange (ETDEWEB)

    Fadafan, Kazem Bitaghsir, E-mail: kbitaghsir@gmail.com; Saiedi, Fateme, E-mail: fatimasaiedi@yahoo.com [Physics Department, University of Shahrood, Shahrood (Iran, Islamic Republic of)

    2015-12-22

    Using the AdS/CFT correspondence, we study the Schwinger effect in strongly coupled theories with an anisotropic scaling symmetry in time and spatial directions. We consider Lifshitz and hyperscaling violation theories and use their gravity duals. It is shown that the shape of the potential barrier depends on the parameters of theory. One concludes that the production rate for the pair creation of particle and antiparticle will be easier in the Lifshitz theory.

  4. Holographic Schwinger effect in non-relativistic backgrounds

    Energy Technology Data Exchange (ETDEWEB)

    Fadafan, Kazem Bitaghsir; Saiedi, Fateme [University of Shahrood, Physics Department, Shahrood (Iran, Islamic Republic of)

    2015-12-15

    Using the AdS/CFT correspondence, we study the Schwinger effect in strongly coupled theories with an anisotropic scaling symmetry in time and spatial directions. We consider Lifshitz and hyperscaling violation theories and use their gravity duals. It is shown that the shape of the potential barrier depends on the parameters of theory. One concludes that the production rate for the pair creation of particle and antiparticle will be easier in the Lifshitz theory. (orig.)

  5. 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.

  6. Dark matter directional detection in non-relativistic effective theories

    CERN Document Server

    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.

  7. Evaluation of mobility gaps and localized hole energy-level density for p-Ge/Ge sub 1 sub - sub x Si sub x heterostructures in regime of quantum Hall effect

    CERN Document Server

    Arapov, Yu G; Kharus, G I; Shelushinina, N G; Yakunin, M V; Kuznetsov, O A

    2002-01-01

    The temperature (0.1 <= T <= 20 K) and magnetic field (0 <= B <= 12 T) dependences of both longitudinal (rho sub x sub x) and Hall (rho sub x sub y) resistivities for the p-Ge/Ge sub 1 sub - sub x Si sub x (x = 0.07) multilayer heterostructures with hole densities p = (2.4-2.6) x 10 sup 1 sup 1 cm sup - sup 2 and mobilities mu = (1.1-1.7) x 10 sup 4 cm sup 2 /(V s) are studied. The two-dimensional hole gas energy spectrum parameters in a quantum Hall effect regime are obtained. The width of the mobility gap is W = (2.0-2.5) meV for the filling factors nu = 1 and 2, but the background localized energy-level density is g sub c = (5-7) x 10 sup 1 sup 0 cm sup - sup 2 meV sup - sup 1. The large-scale impurity potential models for the selectivity-doped two-dimensional systems are used for the interpretation of results obtained

  8. 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....

  9. Part i: the Quadratic Pade Method for Calculating Local Densities of States. Part II: Classical Stochasticity and Ionisation in a Square Potential Well Driven by AN Oscillating Laser Field.

    Science.gov (United States)

    Mayer, Ilan Lippa

    Part I. A new method of calculating local densities of states from the moments of the Hamiltonian is developed and studied. A finite number of moments of the Hamiltonian at a given lattice site are first calculated. The quadratic Pade approximant, which is a special case of the Hermite -Pade approximant, is then used to obtain an approxi- mation for the local Green function. The local density of states is then obtained from there. The new method was tested on several cases, which included regular lattices, a regular binary alloy, the semi-infinite simple cubic lattice, and a realistic model for the valence band of silicon. The results have been compared with those obtained from other methods. The new method produces fairly accurate results in most parts of the energy band(s) if the number of singularity points is small. The accuracy obtained is comparable to or better than that of other methods of similar generality and complexity. Part II. A square potential well can be experimentally fabricated, and used in quantum well lasers. By irradiating it with a driving laser beam the quantum well laser can be made tunable. When the number of quantum emergy levels is fairly large, the behaviour of the electrons in the well can be studied by means of classical dynamics. The presence of the oscillating laser field causes the motion of the electrons to become stochastic, and thus they can escape from the well into the conduction band. Stochasticity and ionisation have been studied by looking at the solutions to the classical equations of motion. Their dependence on the frequency and intensity of the driving laser has been studied for square wells of different dimensions. The classical ionisation rate has been found to bear the charac- teristics of a multiphoton ionisation process. This unusual behaviour has been explained as the effect of the higher harmonics of the oscillating square potential well, as seen by the electron. Finally, an experimental study of this physical

  10. Local Covariance Functions and Density Distributions.

    Science.gov (United States)

    1984-06-01

    each to one of the variables in K(P, Q). In the spectral domain, the eigenvalue of operator (2.6) is well known to be ( Heiskanen and Moritz, 1967, p. 97...M.Y. Ryshik: Table of integrals, series, and products. Academic Press, New York, 1965. Heiskanen , W.A. and H. Moritz: Physical geodesy. Freeman, 1967

  11. 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

  12. Spin orbit coupling for molecular ab initio density matrix renormalization group calculations: Application to g-tensors

    Science.gov (United States)

    Roemelt, Michael

    2015-07-01

    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.

  13. High-density physical mapping of a 3-Mb region in Xp22.3 and refined localization of the gene for X-linked recessive chondrodysplasia punctata (CDPX1)

    Energy Technology Data Exchange (ETDEWEB)

    Wang, I.; Levilliers, J.; Petit, C. [Institut Pasteur, Paris (France)] [and others

    1995-03-20

    The study of patients with chromosomal rearrangements has led to the mapping of the gene responsible for X-linked recessive chondrodysplasia punctata (CDPX1; MIM 302950) to the distal part of the Xp22.3 region, between the loci PABX and DXS31. To refine this mapping, a yeast artificial chromosome (YAC) contig map spanning this region has been constructed. Together with the YAC contig of the pseudo-autosomal region that we previously established, this map covers the terminal 6 Mb of Xp, with an average density of 1 probe every 100 kb. Newly isolated probes that detect segmental X-Y homologies on Yp and Yq suggest multiple complex rearrangements of the ancestral pseudoautosomal region during evolution. Compilation of the data obtained from the study of individuals carrying various Xp22.3 deletions led us to conclude that the CDPX disease displays incomplete penetrance and, consequently, to refine the localization of CDPX1 to a 600-kb interval immediately adjacent to the pseudoautosomal boundary. This interval, in which 12 probes are ordered, provides the starting point for the isolation of CDPX1. 67 refs., 3 figs., 2 tabs.

  14. Holographic Magnetisation Density Waves

    CERN Document Server

    Donos, Aristomenis

    2016-01-01

    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.

  15. On thermodynamic limits of entropy densities

    NARCIS (Netherlands)

    Moriya, H; Van Enter, A

    1998-01-01

    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.

  16. Gedanken Densities and Exact Constraints in Density Functional Theory

    CERN Document Server

    Perdew, John P; Sun, Jianwei; Burke, Kieron

    2014-01-01

    Approximations to the exact density functional for the exchange-correlation energy of a many-electron ground state can be constructed by satisfying constraints that are universal, i.e., valid for all electron densities. Gedanken densities are designed for the purpose of this construction, but need not be realistic. The uniform electron gas is an old gedanken density. Here, we propose a spherical two-electron gedanken density in which the dimensionless density gradient can be an arbitrary positive constant wherever the density is non-zero. The Lieb-Oxford lower bound on the exchange energy can be satisfied within a generalized gradient approximation (GGA) by bounding its enhancement factor or simplest GGA exchange-energy density. This enhancement-factor bound is well known to be sufficient, but our gedanken density shows that it is also necessary. The conventional exact exchange-energy density satisfies no such local bound, but energy densities are not unique, and the simplest GGA exchange-energy density is no...

  17. 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.

  18. Density-dependent effective baryon-baryon interaction from chiral three-baryon forces

    Science.gov (United States)

    Petschauer, Stefan; Haidenbauer, Johann; Kaiser, Norbert; Meißner, Ulf-G.; Weise, Wolfram

    2017-01-01

    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.

  19. Understanding the Relativistic Generalization of Density Functional Theory (DFT) and Completing it in Practice

    Science.gov (United States)

    Bagayoko, Diola

    In 2014, 50 years following the introduction of density functional theory (DFT), a rigorous understanding of it was published [AIP Advances, 4, 127104 (2014)]. This understanding included necessary steps ab initio electronic structure calculations have to take if their results are to possess the full physical content of DFT. These steps guarantee the fulfillment of conditions of validity of DFT; not surprisingly, they have led to accurate descriptions of several dozens of semiconductors, from first principle, without invoking derivative discontinuity or self-interaction correction. This presentation shows the mathematically and physically rigorous understanding of the relativistic extension of DFT by Rajagopal and Callaway {Phys. Rev. B 7, 1912 (1973)]. As in the non-relativistic case, the attainment of the absolute minima of the occupied energies is a necessary condition for the corresponding current density to be that of the ground state of the system and for computational results to agree with corresponding, experimental ones. Acknowledgments:This work was funded in part by the US National Science Foundation [NSF, Award Nos. EPS-1003897, NSF (2010-2015)-RII-SUBR, and HRD-1002541], the US Department of Energy, National Nuclear Security Administration (NNSA, Award No. DE-NA0002630), LaSPACE, and LONI-SUBR.

  20. Coulomb's law corrections and fermion field localization in a tachyonic de Sitter thick braneworld

    Science.gov (United States)

    Cartas-Fuentevilla, Roberto; Escalante, Alberto; Germán, Gabriel; Herrera-Aguilar, Alfredo; Rigel Mora-Luna, Refugio

    2016-05-01

    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)ΨΨ̅ 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 observed or