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Sample records for plane-wave nonlocal pseudopotential

  1. Complex band structure under plane-wave nonlocal pseudopotential Hamiltonian of metallic wires and electrodes

    SciTech Connect

    Yang, Chao

    2009-07-17

    We present a practical approach to calculate the complex band structure of an electrode for quantum transport calculations. This method is designed for plane wave based Hamiltonian with nonlocal pseudopotentials and the auxiliary periodic boundary condition transport calculation approach. Currently there is no direct method to calculate all the evanescent states for a given energy for systems with nonlocal pseudopotentials. On the other hand, in the auxiliary periodic boundary condition transport calculation, there is no need for all the evanescent states at a given energy. The current method fills this niche. The method has been used to study copper and gold nanowires and bulk electrodes.

  2. Predictive GW calculations using plane waves and pseudopotentials

    NASA Astrophysics Data System (ADS)

    Klimeš, Jiří; Kaltak, Merzuk; Kresse, Georg

    2014-08-01

    We derive a finite-basis-set correction for quasiparticle (QP) energies in the GW approximation and many-body correlation energies in the random phase approximation. Since the correction requires only knowledge of the ground-state density distribution, it is straightforward to implement in any plane-wave code and significantly improves convergence at negligible computational cost. The expression also indicates that QP energies might converge to the wrong value using the projector augmented wave (PAW) method since the overlap densities of occupied orbitals and high-energy, plane-wave-like orbitals are inaccurately described. The error is shown to be related to the incompleteness of the partial waves inside the atomic spheres. It can be avoided by adopting norm-conserving partial waves. G0W0 and GW0 results based on such norm-conserving PAW potentials are presented for a large set of semiconductors and insulators. Accurate extrapolation procedures to the infinite-basis-set limit and infinite-k-point limit are discussed in detail.

  3. Structural Properties of Lanthanide and Actinide Compounds within the Plane Wave Pseudopotential Approach

    NASA Astrophysics Data System (ADS)

    Pickard, Chris J.; Winkler, Björn; Chen, Roger K.; Payne, M. C.; Lee, M. H.; Lin, J. S.; White, J. A.; Milman, V.; Vanderbilt, David

    2000-12-01

    We show that plane wave ultrasoft pseudopotential methods readily extend to the calculation of the structural properties of lanthanide and actinide containing compounds. This is demonstrated through a series of calculations performed on UO, UO2, UO3, U3O8, UC2, α-CeC2, CeB6, CeSe, CeO2, NdB6, TmOI, LaBi, LaTiO3, YbO, and elemental Lu.

  4. Structural properties of lanthanide and actinide compounds within the plane wave pseudopotential approach

    PubMed

    Pickard; Winkler; Chen; Payne; Lee; Lin; White; Milman; Vanderbilt

    2000-12-11

    We show that plane wave ultrasoft pseudopotential methods readily extend to the calculation of the structural properties of lanthanide and actinide containing compounds. This is demonstrated through a series of calculations performed on UO, UO2, UO3, U3O8, UC2, alpha-CeC2, CeB6, CeSe, CeO2, NdB6, TmOI, LaBi, LaTiO3, YbO, and elemental Lu. PMID:11102201

  5. Parallel Implementation of Gamma-Point Pseudopotential Plane-Wave DFT with Exact Exchange

    SciTech Connect

    Bylaska, Eric J.; Tsemekhman, Kiril L.; Baden, Scott B.; Weare, John H.; Jonsson, Hannes

    2011-01-15

    One of the more persistent failures of conventional density functional theory (DFT) methods has been their failure to yield localized charge states such as polarons, excitons and solitons in solid-state and extended systems. It has been suggested that conventional DFT functionals, which are not self-interaction free, tend to favor delocalized electronic states since self-interaction creates a Coulomb barrier to charge localization. Pragmatic approaches in which the exchange correlation functionals are augmented with small amount of exact exchange (hybrid-DFT, e.g. B3LYP and PBE0) have shown promise in localizing charge states and predicting accurate band gaps and reaction barriers. We have developed a parallel algorithm for implementing exact exchange into pseudopotential plane-wave density functional theory and we have implemented it in the NWChem program package. The technique developed can readily be employed in plane-wave DFT programs. Furthermore, atomic forces and stresses are straightforward to implement, making it applicable to both confined and extended systems, as well as to Car-Parrinello ab initio molecular dynamic simulations. This method has been applied to several systems for which conventional DFT methods do not work well, including calculations for band gaps in oxides and the electronic structure of a charge trapped state in the Fe(II) containing mica, annite.

  6. Three-dimensional plane-wave full-band quantum transport using empirical pseudopotentials

    NASA Astrophysics Data System (ADS)

    Fang, Jingtian; Vandenberghe, William; Fischetti, Massimo

    2015-03-01

    We study theoretically the ballistic performance of future sub-5 nm Field-Effect Transistors (FETs) using an atomistic quantum transport formalism based on empirical pseudopotentials, with armchair Graphene NanoRibbons (aGNRs), Silicon NanoWires (SiNWs) and zigzag Carbon NanoTubes (zCNTs) as channel structures. Due to the heavy computational burden from the plane-wave basis set, we restrict our study to ultrasmall devices, characterized by 5 nm channel lengths and 0.7 nm × 0.7 nm cross-sectional areas. Band structure calculations show that aGNRs have an oscillating chirality-dependent band gap. AGNRs with dimer lines N=3p+1 have large band gaps and aGNRFETs show promising device performance in terms of high Ion/Ioff, small drain-induced barrier lowering and limited short channel effects due to their very thin body and associated excellent electrostatics control. N=3p+2 aGNRs have small band gaps and band-to-band tunneling generates a large current at high bias. We also discuss spurious solutions introduced by the envelope function approximation. Device characteristics of SiNWFETs and zCNTFETs are compared to aGNRFETs as well. We acknowledge the support of Nanoelectronics Research Initiatives's (NRI's) Southwest Academy of Nanoelectronics (SWAN).

  7. Phaseless auxiliary-field quantum Monte Carlo calculations with plane waves and pseudopotentials: Applications to atoms and molecules

    NASA Astrophysics Data System (ADS)

    Suewattana, Malliga; Purwanto, Wirawan; Zhang, Shiwei; Krakauer, Henry; Walter, Eric J.

    2007-06-01

    The phaseless auxiliary-field quantum Monte Carlo (AF QMC) method [S. Zhang and H. Krakauer, Phys. Rev. Lett. 90, 136401 (2003)] is used to carry out a systematic study of the dissociation and ionization energies of second-row group 3A-7A atoms and dimers: Al, Si, P, S, and Cl. In addition, the P2 dimer is compared to the third-row As2 dimer, which is also triply bonded. This method projects the many-body ground state by means of importance-sampled random walks in the space of Slater determinants. The Monte Carlo phase problem, due to the electron-electron Coulomb interaction, is controlled via the phaseless approximation, with a trial wave function ∣ΨT⟩ . As in previous calculations, a mean-field single Slater determinant is used as ∣ΨT⟩ . The method is formulated in the Hilbert space defined by any chosen one-particle basis. The present calculations use a plane wave basis under periodic boundary conditions with norm-conserving pseudopotentials. Computational details of the plane wave AF QMC method are presented. The isolated systems chosen here allow a systematic study of the various algorithmic issues. We show the accuracy of the plane wave method and discuss its convergence with respect to parameters such as the supercell size and plane wave cutoff. The use of standard norm-conserving pseudopotentials in the many-body AF QMC framework is examined.

  8. Plane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn-Sham equations in large-scale simulations.

    PubMed

    Schleife, André; Draeger, Erik W; Kanai, Yosuke; Correa, Alfredo A

    2012-12-14

    Explicit integrators for real-time propagation of time-dependent Kohn-Sham equations are compared regarding their suitability for performing large-scale simulations. Four algorithms are implemented and assessed for both stability and accuracy within a plane-wave pseudopotential framework, employing the adiabatic approximation to the exchange-correlation functional. Simulation results for a single sodium atom and a sodium atom embedded in bulk magnesium oxide are discussed. While the first-order Euler scheme and the second-order finite-difference scheme are unstable, the fourth-order Runge-Kutta scheme is found to be conditionally stable and accurate within this framework. Excellent parallel scalability of the algorithm up to more than a thousand processors is demonstrated for a system containing hundreds of electrons, evidencing the suitability for large-scale simulations based on real-time propagation of time-dependent Kohn-Sham equations. PMID:23249083

  9. Alkaline earth chloride hydrates: chlorine quadrupolar and chemical shift tensors by solid-state NMR spectroscopy and plane wave pseudopotential calculations.

    PubMed

    Bryce, David L; Bultz, Elijah B

    2007-01-01

    A series of alkaline earth chloride hydrates has been studied by solid-state (35/37)Cl NMR spectroscopy in order to characterize the chlorine electric field gradient (EFG) and chemical shift (CS) tensors and to relate these observables to the structure around the chloride ions. Chlorine-35/37 NMR spectra of solid powdered samples of pseudopolymorphs (hydrates) of magnesium chloride (MgCl(2).6H(2)O), calcium chloride (CaCl(2).2H(2)O), strontium chloride (SrCl(2), SrCl(2).2H(2)O, and SrCl(2).6H(2)O), and barium chloride (BaCl(2).2H(2)O) have been acquired under stationary and magic-angle spinning conditions in magnetic fields of 11.75 and 21.1 T. Powder X-ray diffraction was used as an additional tool to confirm the purity and identity of the samples. Chlorine-35 quadrupolar coupling constants (C(Q)) range from essentially zero in cubic anhydrous SrCl(2) to 4.26+/-0.03 MHz in calcium chloride dihydrate. CS tensor spans, Omega, are between 40 and 72 ppm, for example, Omega= 45+/-20 ppm for SrCl(2).6H(2)O. Plane wave-pseudopotential density functional theory, as implemented in the CASTEP program, was employed to model the extended solid lattices of these materials for the calculation of their chlorine EFG and nuclear magnetic shielding tensors, and allowed for the assignment of the two-site chlorine NMR spectra of barium chloride dihydrate. This work builds upon our current understanding of the relationship between chlorine NMR interaction tensors and the local molecular and electronic structure, and highlights the particular sensitivity of quadrupolar nucleus solid-state NMR spectroscopy to the differences between various pseudopolymorphic structures in the case of strontium chloride. PMID:17385204

  10. Plane wave scattering from a plasmonic nanowire-film system with the inclusion of non-local effects.

    PubMed

    Trivedi, Rahul; Sharma, Yashna; Dhawan, Anuj

    2015-10-01

    In this paper we present a theoretical analysis of the electromagnetic response of a plasmonic nanowire-film system. The analytical solution accounts for both the dispersive as well as non-local nature of the plasmonic media. The physical structure comprises of a plasmonic nanowire made of a plasmonic metal such as gold or silver placed over a plasmonic film of the same material. Such a nanostructure exhibits a spectrum that is extremely sensitive to various geometric parameters such as spacer thickness and nanowire radius, which makes it favorable for various sensing applications. The non-locality of the plasmonic medium, which can be captured using the hydrodynamic model, significantly affects the resonant wavelength of this system for structures of small dimensions (~ less than 5 nm gap between the nanowire and the film). We present an analytical method that can be used to predict the effect of non-locality on the resonances of the system. To validate the analytical method, we also report a comparison of our analytical solution with a numerical Finite Difference Time Domain analysis (FDTD) of the same structure with the plasmonic medium being treated as local in nature. PMID:26480121

  11. Nonlocal Pseudopotentials and Long-Range Interactions in Ab Initio Finite-Element Electronic-Structure Calculations

    NASA Astrophysics Data System (ADS)

    Pask, J. E.; Sterne, P. A.

    2004-03-01

    The finite-element (FE) method is a general approach for the solution of partial differential equations. Like the planewave (PW) method, the FE method is a systematically improvable expansion approach. Unlike the PW method, however, its basis functions are strictly local in real space, which allows for variable resolution in real space and facilitates massively parallel implementation. We discuss the application of the FE method to ab initio electronic-structure calculations.(J.E. Pask, B.M. Klein, C.Y. Fong, and P.A. Sterne, Phys. Rev. B 59), 12352 (1999). In particular, we discuss the use of nonlocal pseudopotentials in bulk calculations, and the handling of long-range interactions in the construction of the Kohn-Sham effective potential and total energy. We show that the total energy converges variationally, and at the optimal theoretical rate consistent with the cubic completeness of the basis. This work was performed under the auspices of the U.S. Department of Energy by University of California, Lawrence Livermore National Laboratory under Contract W-7405-Eng-48.

  12. Ab initio quantum transport calculations using plane waves

    NASA Astrophysics Data System (ADS)

    Garcia-Lekue, A.; Vergniory, M. G.; Jiang, X. W.; Wang, L. W.

    2015-08-01

    We present an ab initio method to calculate elastic quantum transport at the nanoscale. The method is based on a combination of density functional theory using plane wave nonlocal pseudopotentials and the use of auxiliary periodic boundary conditions to obtain the scattering states. The method can be applied to any applied bias voltage and the charge density and potential profile can either be calculated self-consistently, or using an approximated self-consistent field (SCF) approach. Based on the scattering states one can straightforwardly calculate the transmission coefficients and the corresponding electronic current. The overall scheme allows us to obtain accurate and numerically stable solutions for the elastic transport, with a computational time similar to that of a ground state calculation. This method is particularly suitable for calculations of tunneling currents through vacuum, that some of the nonequilibrium Greens function (NEGF) approaches based on atomic basis sets might have difficulty to deal with. Several examples are provided using this method from electron tunneling, to molecular electronics, to electronic devices: (i) On a Au nanojunction, the tunneling current dependence on the electrode-electrode distance is investigated. (ii) The tunneling through field emission resonances (FERs) is studied via an accurate description of the surface vacuum states. (iii) Based on quantum transport calculations, we have designed a molecular conformational switch, which can turn on and off a molecular junction by applying a perpendicular electric field. (iv) Finally, we have used the method to simulate tunnel field-effect transistors (TFETs) based on two-dimensional transition-metal dichalcogenides (TMDCs), where we have studied the performance and scaling limits of such nanodevices and proposed atomic doping to enhance the transistor performance.

  13. Plane waves as tractor beams

    NASA Astrophysics Data System (ADS)

    Forgács, Péter; Lukács, Árpád; Romańczukiewicz, Tomasz

    2013-12-01

    It is shown that in a large class of systems, plane waves act as tractor beams: i.e., an incident plane wave can exert a pulling force on the scatterer. The underlying physical mechanism for the pulling force is due to the sufficiently strong scattering of the incoming wave into another mode carrying more momentum, in which case excess momentum is created behind the scatterer. This tractor beam or negative radiation pressure (NRP) effect, is found to be generic in systems with multiple scattering channels. In a birefringent medium, electromagnetic plane waves incident on a thin plate exert NRP of the same order of magnitude as optical radiation pressure, while in artificial dielectrics (metamaterials), the magnitude of NRP can even be macroscopic. In two dimensions, we study various scattering situations on vortices, and NRP is shown to occur by the scattering of heavy baryons into light leptons off cosmic strings, and by neutron scattering off vortices in the XY model.

  14. Plane waves in noncommutative fluids

    NASA Astrophysics Data System (ADS)

    Abdalla, M. C. B.; Holender, L.; Santos, M. A.; Vancea, I. V.

    2013-08-01

    We study the dynamics of the noncommutative fluid in the Snyder space perturbatively at the first order in powers of the noncommutative parameter. The linearized noncommutative fluid dynamics is described by a system of coupled linear partial differential equations in which the variables are the fluid density and the fluid potentials. We show that these equations admit a set of solutions that are monochromatic plane waves for the fluid density and two of the potentials and a linear function for the third potential. The energy-momentum tensor of the plane waves is calculated.

  15. Optimization Algorithm for the Generation of ONCV Pseudopotentials

    NASA Astrophysics Data System (ADS)

    Schlipf, Martin; Gygi, Francois

    2015-03-01

    We present an optimization algorithm to construct pseudopotentials and use it to generate a set of Optimized Norm-Conserving Vanderbilt (ONCV) pseudopotentials for elements up to Z=83 (Bi) (excluding Lanthanides). We introduce a quality function that assesses the agreement of a pseudopotential calculation with all-electron FLAPW results, and the necessary plane-wave energy cutoff. This quality function allows us to use a Nelder-Mead optimization algorithm on a training set of materials to optimize the input parameters of the pseudopotential construction for most of the periodic table. We control the accuracy of the resulting pseudopotentials on a test set of materials independent of the training set. We find that the automatically constructed pseudopotentials provide a good agreement with the all-electron results obtained using the FLEUR code with a plane-wave energy cutoff of approximately 60 Ry. Supported by DOE/BES Grant DE-SC0008938.

  16. Explosive plane-wave lens

    DOEpatents

    Marsh, Stanley P.

    1988-01-01

    An explosive plane-wave air lens which enables a spherical wave form to be converted to a planar wave without the need to specially machine or shape explosive materials is described. A disc-shaped impactor having a greater thickness at its center than around its periphery is used to convert the spherical wave into a plane wave. When the wave reaches the impactor, the center of the impactor moves first because the spherical wave reaches the center of the impactor first. The wave strikes the impactor later in time as one moves radially along the impactor. Because the impactor is thinner as one moves radially outward, the velocity of the impactor is greater at the periphery than at the center. An acceptor explosive is positioned so that the impactor strikes the acceptor simultaneously. Consequently, a plane detonation wave is propagated through the acceptor explosive.

  17. Explosive plane-wave lens

    DOEpatents

    Marsh, S.P.

    1988-03-08

    An explosive plane-wave air lens which enables a spherical wave form to be converted to a planar wave without the need to specially machine or shape explosive materials is described. A disc-shaped impactor having a greater thickness at its center than around its periphery is used to convert the spherical wave into a plane wave. When the wave reaches the impactor, the center of the impactor moves first because the spherical wave reaches the center of the impactor first. The wave strikes the impactor later in time as one moves radially along the impactor. Because the impactor is thinner as one moves radially outward, the velocity of the impactor is greater at the periphery than at the center. An acceptor explosive is positioned so that the impactor strikes the acceptor simultaneously. Consequently, a plane detonation wave is propagated through the acceptor explosive. 4 figs.

  18. Explosive plane-wave lens

    DOEpatents

    Marsh, S.P.

    1987-03-12

    An explosive plane-wave air lens which enables a spherical wave form to be converted to a planar wave without the need to specially machine or shape explosive materials is described. A disc-shaped impactor having a greater thickness at its center than around its periphery is used to convert the spherical wave into a plane wave. When the wave reaches the impactor, the center of the impactor moves first because the spherical wave reaches the center of the impactor first. The wave strikes the impactor later in time as one moves radially along the impactor. Because the impactor is thinner as one moves radially outward, the velocity of the impactor is greater at the periphery than at the center. An acceptor explosive is positioned so that the impactor strikes the acceptor simultaneously. Consequently, a plane detonation wave is propagated through the acceptor explosive. 3 figs., 3 tabs.

  19. Plane Wave and Coulomb Asymptotics

    NASA Astrophysics Data System (ADS)

    Mulligan, P. G.; Crothers, D. S. F.

    2004-01-01

    A simple plane wave solution of the Schrödinger Helmholtz equation is a quantum eigenfunction obeying both energy and linear momentum correspondence principles. Inclusion of the outgoing wave with scattering amplitude f obeys unitarity and the optical theorem. By closely considering the standard asymptotic development of the plane wave, we show that there is a problem with angular momentum when we consider forward scattering at the point of closest approach and at large impact parameter given semiclassically by (l + 1/2)/k where l is the azimuthal quantum number and may be large (J Leech et al, Phys. Rev. Lett. 88 257901 (2002)). The problem is resolved via non-uniform, non-standard analysis involving the Heaviside step function, unifying classical, semiclassical and quantum mechanics, and the treatment is extended to the case of pure Coulomb scattering.

  20. Crystal orbital Hamilton population (COHP) analysis as projected from plane-wave basis sets.

    PubMed

    Deringer, Volker L; Tchougréeff, Andrei L; Dronskowski, Richard

    2011-06-01

    Simple, yet predictive bonding models are essential achievements of chemistry. In the solid state, in particular, they often appear in the form of visual bonding indicators. Because the latter require the crystal orbitals to be constructed from local basis sets, the application of the most popular density-functional theory codes (namely, those based on plane waves and pseudopotentials) appears as being ill-fitted to retrieve the chemical bonding information. In this paper, we describe a way to re-extract Hamilton-weighted populations from plane-wave electronic-structure calculations to develop a tool analogous to the familiar crystal orbital Hamilton population (COHP) method. We derive the new technique, dubbed "projected COHP" (pCOHP), and demonstrate its viability using examples of covalent, ionic, and metallic crystals (diamond, GaAs, CsCl, and Na). For the first time, this chemical bonding information is directly extracted from the results of plane-wave calculations. PMID:21548594

  1. Optimization algorithm for the generation of ONCV pseudopotentials

    NASA Astrophysics Data System (ADS)

    Schlipf, Martin; Gygi, François

    2015-11-01

    We present an optimization algorithm to construct pseudopotentials and use it to generate a set of Optimized Norm-Conserving Vanderbilt (ONCV) pseudopotentials for elements up to Z = 83 (Bi) (excluding Lanthanides). We introduce a quality function that assesses the agreement of a pseudopotential calculation with all-electron FLAPW results, and the necessary plane-wave energy cutoff. This quality function allows us to use a Nelder-Mead optimization algorithm on a training set of materials to optimize the input parameters of the pseudopotential construction for most of the periodic table. We control the accuracy of the resulting pseudopotentials on a test set of materials independent of the training set. We find that the automatically constructed pseudopotentials

  2. Double plane wave reverse time migration with plane wave Green's function

    NASA Astrophysics Data System (ADS)

    Zhao, Z.; Sen, M. K.; Stoffa, P. L.

    2015-12-01

    Reverse time migration (RTM) is effective in obtaining complex subsurface structures from seismic data. By solving the two-way wave equation, RTM can use entire wavefield for imaging. Although powerful computer are becoming available, the conventional pre-stack shot gather RTM is still computationally expensive. Solving forward and backward wavefield propagation for each source location and shot gather is extremely time consuming, especially for large seismic datasets. We present an efficient, accurate and flexible plane wave RTM in the frequency domain where we utilize a compressed plane wave dataset, known as the double plane wave (DPW) dataset. Provided with densely sampled seismic dataset, shot gathers can be decomposed into source and receiver plane wave components with minimal artifacts. The DPW RTM is derived under the Born approximation and utilizes frequency domain plane wave Green's function for imaging. Time dips in the shot profiles can help to estimate the range of plane wave components present in shot gathers. Therefore, a limited number of plane wave Green's functions are needed for imaging. Plane wave Green's functions can be used for imaging both source and receiver plane waves. Source and receiver reciprocity can be used for imaging plane wave components at no cost and save half of the computation time. As a result, the computational burden for migration is substantially reduced. Plane wave components can be migrated independently to recover specific targets with given dips, and ray parameter common image gathers (CIGs) can be generated after migration directly. The ray parameter CIGs can be used to justify the correctness of velocity models. Subsurface anisotropy effects can also be included in our imaging condition, provided with plane wave Green's functions in the anisotropic media.

  3. Ab initio pseudopotential band calculation of organic conductors

    SciTech Connect

    Ishibashi, Shoji; Kohyama, Masanori

    1999-12-01

    The authors have calculated the band structures of organic conductors TTF-TCNQ and {beta}-(BEDT-TTF){sub 2}I{sub 3} using the ab initio plane-wave pseudopotential method within the local-density approximation (LDA). The Fermi-surface shape and the origin of bands near the Fermi level are investigated for each compound.

  4. Horizons and plane waves: A review

    SciTech Connect

    Hubeny, Veronika E.; Rangamani, Mukund

    2003-11-06

    We review the attempts to construct black hole/string solutions in asymptotically plane wave spacetimes. First, we demonstrate that geometries admitting a covariantly constant null Killing vector cannot admit event horizons, which implies that pp-waves can't describe black holes. However, relaxing the symmetry requirements allows us to generate solutions which do possess regular event horizons while retaining the requisite asymptotic properties. In particular, we present two solution generating techniques and use them to construct asymptotically plane wave black string/brane geometries.

  5. Simple Harmonic Motion in Harmonic Plane Waves.

    ERIC Educational Resources Information Center

    Benumof, Reuben

    1980-01-01

    Discusses the distribution of kinetic and potential energy in transverse and longitudinal waves and examines the transmission of power and momentum. This discussion is intended to aid in understanding the simple harmonic motion of a particle involved in the propagation of a harmonic mechanical plane wave. (HM)

  6. Plane wave facing technique for ultrasonic elastography

    NASA Astrophysics Data System (ADS)

    Lee, Mingu; Shim, Hwan; Cheon, Byeong Geun; Jung, Yunsub

    2014-03-01

    A shear wave generation technique which exploits multiple plane waves facing with each other toward their center line is introduced. On this line, ultrasonic waves interfere constructively resulting two planar shear waves that propagate to the opposite directions parallel to the transducer instead of oblique wave from multiple point focused pushes due to the temporal inconsistency of the pushes. One advantage of the plane wave facing technique over an unfocused push beam is that it generates much larger shear waves because it actively takes advantage of constructive interference between waves and, moreover, a larger number of elements can be used without diffusing the beam pattern. Field II simulated intensity maps of the push beams using the proposed method are presented with those of multiple point focusing and unfocusing techniques for comparison. In the simulation, two plane waves are considered for the simplicity, and the number of elements, apodization, and steering angles for facing are varied as parameters. Also, elasticity images of CIRS 049A phantom are presented using the proposed technique with comb-shaped push beams, i.e. multiple push beams are used simultaneously at different locations. L7-4 transducer is used for the simulation and elasticity imaging.

  7. Plane wave imaging using phased array

    NASA Astrophysics Data System (ADS)

    Volker, Arno

    2014-02-01

    Phased arrays are often used for rapid inspections. Phased arrays can be used to synthesize different wave fronts. For imaging, focused wave fronts are frequently used. In order to build an image, the phased array has to be fired multiple times at the same location. Alternatively, different data acquisition configurations can be designed in combination with an imaging algorithm. The objective of this paper is to use the minimal amount of data required to construct an image. If a plane wave is synthesized, the region of interest is illuminated completely. For plane wave synthesis, all elements in the phase array are fired. This ensures a good signal to noise ratio. Imaging can be performed efficiently with a mapping algorithm in the wavenumber domain. The algorithm involves only two Fourier transforms and can therefore be extremely fast. The obtained resolution is comparable to conventional imaging algorithms. This work investigates the potential and limitations of this mapping algorithm on simulated data. With this approach, frame rates of more than 1 kHz can be achieved.

  8. Polarization of almost-plane waves.

    PubMed

    Sheppard, C J

    2000-02-01

    The general polarization behavior of almost-plane waves, in which the electric field varies slowly over a circular pupil, is considered, on the basis of an axial Hertz potential treatment and expansion in Zernike polynomials. The resultant modes of a circular aperture are compared with the well-known waveguide (or optical fiber) modes and Gaussian beam modes. The wave can be decomposed into partial waves of electric and magnetic types. The modes for a square pupil are also considered. The particular application of the effect on polarization of focusing the waves is discussed. Another application discussed is the Fresnel reflection from a dielectric interface, it being shown that the Fresnel reflection alters the relative strength of the electric and magnetic components. PMID:10680636

  9. Plane wave gravitons, curvature singularities and string physics

    SciTech Connect

    Brooks, R. . Center for Theoretical Physics)

    1991-03-21

    This paper discusses bounded (compactifying) potentials arising from a conspiracy between plane wave graviton and dilaton condensates. So are string propagation and supersymmetry in spacetimes with curvature singularities.

  10. A new type of pseudopotentials: effective atomic pseudopotentials

    NASA Astrophysics Data System (ADS)

    Cardenas, Jairo Ricardo; Cherian, Roby; Bester, Gabriel

    2012-02-01

    We derive a new type of pseudopotentials from conventional norm-conserving pseudopotentials for the treatment of a large number of atoms. The pseudopotentials are not aimed at the calculation of the total enegy, but of band edge states relevant for optical processes. We describe the pseudopotential construction and benchmark its quality and transferability by comparison to standard DFT calculations.

  11. Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines

    SciTech Connect

    Jia, Weile; University of Chinese Academy of Sciences, Beijing ; Fu, Jiyun; University of Chinese Academy of Sciences, Beijing ; Cao, Zongyan; Wang, Long; Chi, Xuebin; Gao, Weiguo; MOE Key Laboratory of Computational Physical Sciences, Fudan University, Shanghai ; Wang, Lin-Wang

    2013-10-15

    Plane wave pseudopotential (PWP) density functional theory (DFT) calculation is the most widely used method for material simulations, but its absolute speed stagnated due to the inability to use large scale CPU based computers. By a drastic redesign of the algorithm, and moving all the major computation parts into GPU, we have reached a speed of 12 s per molecular dynamics (MD) step for a 512 atom system using 256 GPU cards. This is about 20 times faster than the CPU version of the code regardless of the number of CPU cores used. Our tests and analysis on different GPU platforms and configurations shed lights on the optimal GPU deployments for PWP-DFT calculations. An 1800 step MD simulation is used to study the liquid phase properties of GaInP.

  12. Plane wave density functional theory studies of the structural and the electronic properties of amino acids attached to graphene oxide via peptide bonding

    NASA Astrophysics Data System (ADS)

    Min, Byeong June; Jeong, Hae Kyung; Lee, ChangWoo

    2015-08-01

    We studied via plane wave pseudopotential total-energy calculations within the local spin density approximation (LSDA) the electronic and the structural properties of amino acids (alanine, glycine, and histidine) attached to graphene oxide (GO) by peptide bonding. The HOMO-LUMO gap, the Hirshfeld charges, and the equilibrium geometrical structures exhibit distinctive variations that depend on the species of the attached amino acid. The GO-amino acid system appears to be a good candidate for a biosensor.

  13. Pseudopotentials for quantum Monte Carlo studies of transition metal oxides

    NASA Astrophysics Data System (ADS)

    Krogel, Jaron T.; Santana, Juan A.; Reboredo, Fernando A.

    2016-02-01

    Quantum Monte Carlo (QMC) calculations of transition metal oxides are partially limited by the availability of high-quality pseudopotentials that are both accurate in QMC and compatible with major plane-wave electronic structure codes. We have generated a set of neon-core pseudopotentials with small cutoff radii for the early transition metal elements Sc to Zn within the local density approximation of density functional theory. The pseudopotentials have been directly tested for accuracy within QMC by calculating the first through fourth ionization potentials of the isolated transition metal (M) atoms and the binding curve of each M-O dimer. We find the ionization potentials to be accurate to 0.16(1) eV, on average, relative to experiment. The equilibrium bond lengths of the dimers are within 0.5(1)% of experimental values, on average, and the binding energies are also typically accurate to 0.18(3) eV. The level of accuracy we find for atoms and dimers is comparable to what has recently been observed for bulk metals and oxides using the same pseudopotentials. Our QMC pseudopotential results also compare well with the findings of previous QMC studies and benchmark quantum chemical calculations.

  14. Pseudopotentials for quantum Monte Carlo studies of transition metal oxides

    DOE PAGESBeta

    Krogel, Jaron T.; Santana Palacio, Juan A.; Reboredo, Fernando A.

    2016-02-22

    Quantum Monte Carlo (QMC) calculations of transition metal oxides are partially limited by the availability of high-quality pseudopotentials that are both accurate in QMC and compatible with major plane-wave electronic structure codes. We have generated a set of neon-core pseudopotentials with small cutoff radii for the early transition metal elements Sc to Zn within the local density approximation of density functional theory. The pseudopotentials have been directly tested for accuracy within QMC by calculating the first through fourth ionization potentials of the isolated transition metal (M) atoms and the binding curve of each M-O dimer. We find the ionization potentialsmore » to be accurate to 0.16(1) eV, on average, relative to experiment. The equilibrium bond lengths of the dimers are within 0.5(1)% of experimental values, on average, and the binding energies are also typically accurate to 0.18(3) eV. The level of accuracy we find for atoms and dimers is comparable to what has recently been observed for bulk metals and oxides using the same pseudopotentials. Our QMC pseudopotential results compare well with the findings of previous QMC studies and benchmark quantum chemical calculations.« less

  15. Force-based optimization of pseudopotentials for non-equilibrium configurations

    NASA Astrophysics Data System (ADS)

    Brock, Casey N.; Paikoff, Brandon C.; Md Sallih, Muhammad I.; Tackett, Alan R.; Walker, D. Greg

    2016-04-01

    We have used a multi-objective genetic algorithm to optimize pseudopotentials for force accuracy and computational efficiency. Force accuracy is determined by comparing interatomic forces generated using the pseudopotentials and forces generated using the full-potential linearized augmented-plane wave method. This force-based optimization approach is motivated by applications where interatomic forces are important, including material interfaces, crystal defects, and molecular dynamics. Our method generates Pareto sets of optimized pseudopotentials containing various compromises between accuracy and efficiency. We have tested our method for LiF, Si0.5Ge0.5, and Mo and compared the performance of our pseudopotentials with pseudopotentials available from the ABINIT library. We show that the optimization can generate pseudopotentials with comparable accuracy (in terms of force matching and equation of state) to pseudopotentials in the literature while sometimes significantly improving computational efficiency. For example, we generated pseudopotentials for one system tested that reduced computational work by 71% without loss of accuracy. These results suggest our method can be used to generate pseudopotentials on demand that are tuned for a user's specific application, affording gains in computational efficiency.

  16. Iterative diagonalization in augmented plane wave based methods in electronic structure calculations

    SciTech Connect

    Blaha, P.; Laskowski, R.; Schwarz, K.

    2010-01-20

    Due to the increased computer power and advanced algorithms, quantum mechanical calculations based on Density Functional Theory are more and more widely used to solve real materials science problems. In this context large nonlinear generalized eigenvalue problems must be solved repeatedly to calculate the electronic ground state of a solid or molecule. Due to the nonlinear nature of this problem, an iterative solution of the eigenvalue problem can be more efficient provided it does not disturb the convergence of the self-consistent-field problem. The blocked Davidson method is one of the widely used and efficient schemes for that purpose, but its performance depends critically on the preconditioning, i.e. the procedure to improve the search space for an accurate solution. For more diagonally dominated problems, which appear typically for plane wave based pseudopotential calculations, the inverse of the diagonal of (H - ES) is used. However, for the more efficient 'augmented plane wave + local-orbitals' basis set this preconditioning is not sufficient due to large off-diagonal terms caused by the local orbitals. We propose a new preconditioner based on the inverse of (H - {lambda}S) and demonstrate its efficiency for real applications using both, a sequential and a parallel implementation of this algorithm into our WIEN2k code.

  17. Vacuum plane waves: Cartan invariants and physical interpretation

    NASA Astrophysics Data System (ADS)

    Coley, A.; McNutt, D.; Milson, R.

    2012-12-01

    As an application of the Cartan invariants obtained using the Karlhede algorithm, we study a simple subclass of the PP-wave spacetimes, the gravitational plane waves. We provide an invariant classification of these spacetimes and then study a few notable subcases: the linearly polarized plane waves, the weak-field circularly polarized waves, and another class of plane waves found by imposing conditions on the set of invariants. As we study these spacetimes we relate the invariant structure (i.e., Cartan scalars) to the physical description of these spacetimes using the geodesic deviation equations relative to timelike geodesic observers.

  18. DLCQ and plane wave matrix Big Bang models

    NASA Astrophysics Data System (ADS)

    Blau, Matthias; O'Loughlin, Martin

    2008-09-01

    We study the generalisations of the Craps-Sethi-Verlinde matrix big bang model to curved, in particular plane wave, space-times, beginning with a careful discussion of the DLCQ procedure. Singular homogeneous plane waves are ideal toy-models of realistic space-time singularities since they have been shown to arise universally as their Penrose limits, and we emphasise the role played by the symmetries of these plane waves in implementing the flat space Seiberg-Sen DLCQ prescription for these curved backgrounds. We then analyse various aspects of the resulting matrix string Yang-Mills theories, such as the relation between strong coupling space-time singularities and world-sheet tachyonic mass terms. In order to have concrete examples at hand, in an appendix we determine and analyse the IIA singular homogeneous plane wave - null dilaton backgrounds.

  19. Liquid Water through Density-Functional Molecular Dynamics: Plane-Wave vs Atomic-Orbital Basis Sets.

    PubMed

    Miceli, Giacomo; Hutter, Jürg; Pasquarello, Alfredo

    2016-08-01

    We determine and compare structural, dynamical, and electronic properties of liquid water at near ambient conditions through density-functional molecular dynamics simulations, when using either plane-wave or atomic-orbital basis sets. In both frameworks, the electronic structure and the atomic forces are self-consistently determined within the same theoretical scheme based on a nonlocal density functional accounting for van der Waals interactions. The overall properties of liquid water achieved within the two frameworks are in excellent agreement with each other. Thus, our study supports that implementations with plane-wave or atomic-orbital basis sets yield equivalent results and can be used indiscriminately in study of liquid water or aqueous solutions. PMID:27434607

  20. Arrayed Ultrasonic Transducers on Arc Surface for Plane Wave Synthesis

    NASA Astrophysics Data System (ADS)

    Kim, Jung-Soon; Kim, Jung-Ho; Kim, Moo-Joon; Ha, Kang-Lyeol; Yamada, Akira

    2004-05-01

    In ultrasonic computed tomography (UCT), it is necessary to synthesize a plane wave using waves emitted from sound sources arranged in the interior surface of a cylinder. In order to transmit a plane wave into a cylindrical surface, an ultrasonic transducer which has many vibrating elements with piezoelectric transverse effect arrayed on an arc surface is proposed. To achieve a wide beam width, the elements should have a small radiation area with a much narrow width. The measured electroacoustic efficiency for the elements was approximately 40% and the beam width defined by -3 dB level from the maximum was as wide as 120 deg. It was confirmed that plane wave synthesis is possible using the proposed transducer array.

  1. An Apparatus for Constructing an Electromagnetic Plane Wave Model

    ERIC Educational Resources Information Center

    Kneubil, Fabiana Botelho; Loures, Marcus Vinicius Russo; Amado, William

    2015-01-01

    In this paper we report on an activity aimed at building an electromagnetic wave. This was part of a class on the concept of mass offered to a group of 20 pre-service Brazilian physics teachers. The activity consisted of building a plane wave using an apparatus in which it is possible to fit some rods representing electric and magnetic fields into…

  2. Metaphysics of colliding self-gravitating plane waves

    SciTech Connect

    Matzner, R.A.; Tipler, F.J.

    1984-04-15

    We discuss certain global features of colliding plane-wave solutions to Einstein's equations. In particular, we show that the apparently local curvature singularities both in the Khan-Penrose solution and in the Bell-Szekeres solution are actually global. These global singularities are associated with the breakdown of nondegenerate planar symmetry in the characteristic initial data sets.

  3. Colliding gravitational plane waves with noncollinear polarization. I

    SciTech Connect

    Ernst, F.J.; Garcia D., A.; Hauser, I.

    1987-09-01

    An Ehlers transformation on the Ernst potential for the Nutku--Halil solution (Phys. Rev. Lett. 39, 1379 (1977)) provides a new solution of the Einstein field equations describing colliding gravitational plane waves with noncollinear polarization, the first of an infinite sequence of solutions that can be generated using techniques described in this paper.

  4. Colliding gravitational plane waves with noncollinear polarization. I

    NASA Astrophysics Data System (ADS)

    Ernst, Frederick J.; García D., Alberto; Hauser, Isidore

    1987-09-01

    An Ehlers transformation on the Ernst potential for the Nutku-Halil solution [Phys. Rev. Lett. 39, 1379 (1977)] provides a new solution of the Einstein field equations describing colliding gravitational plane waves with noncollinear polarization, the first of an infinite sequence of solutions that can be generated using techniques described in this paper.

  5. Coded Excitation Plane Wave Imaging for Shear Wave Motion Detection

    PubMed Central

    Song, Pengfei; Urban, Matthew W.; Manduca, Armando; Greenleaf, James F.; Chen, Shigao

    2015-01-01

    Plane wave imaging has greatly advanced the field of shear wave elastography thanks to its ultrafast imaging frame rate and the large field-of-view (FOV). However, plane wave imaging also has decreased penetration due to lack of transmit focusing, which makes it challenging to use plane waves for shear wave detection in deep tissues and in obese patients. This study investigated the feasibility of implementing coded excitation in plane wave imaging for shear wave detection, with the hypothesis that coded ultrasound signals can provide superior detection penetration and shear wave signal-to-noise-ratio (SNR) compared to conventional ultrasound signals. Both phase encoding (Barker code) and frequency encoding (chirp code) methods were studied. A first phantom experiment showed an approximate penetration gain of 2-4 cm for the coded pulses. Two subsequent phantom studies showed that all coded pulses outperformed the conventional short imaging pulse by providing superior sensitivity to small motion and robustness to weak ultrasound signals. Finally, an in vivo liver case study on an obese subject (Body Mass Index = 40) demonstrated the feasibility of using the proposed method for in vivo applications, and showed that all coded pulses could provide higher SNR shear wave signals than the conventional short pulse. These findings indicate that by using coded excitation shear wave detection, one can benefit from the ultrafast imaging frame rate and large FOV provided by plane wave imaging while preserving good penetration and shear wave signal quality, which is essential for obtaining robust shear elasticity measurements of tissue. PMID:26168181

  6. Structure and magnetism of bulk Fe and Cr: from plane waves to LCAO methods.

    PubMed

    Soulairol, R; Fu, Chu-Chun; Barreteau, C

    2010-07-28

    Magnetic, structural and energetic properties of bulk Fe and Cr were studied using first-principles calculations within density functional theory (DFT). We aimed to identify the dependence of these properties on key approximations of DFT, namely the exchange-correlation functional, the pseudopotential and the basis set. We found a smaller effect of pseudopotentials (PPs) on Fe than on Cr. For instance, the local magnetism of Cr was shown to be particularly sensitive to the potentials representing the core electrons, i.e. projector augmented wave and Vanderbilt ultrasoft PPs predict similar results, whereas standard norm-conserving PPs tend to overestimate the local magnetic moments of Cr in bcc Cr and in dilute bcc FeCr alloys. This drawback is suggested to be closely correlated to the overestimation of Cr solution energy in the latter system. On the other hand, we point out that DFT methods with very reduced localized basis sets (LCAO: linear combination of atomic orbitals) give satisfactory results compared with more robust plane-wave approaches. A minimal-basis representation of '3d' electrons comes to be sufficient to describe non-trivial magnetic phases including spin spirals in both fcc Fe and bcc Cr, as well as the experimental magnetic ground state of bcc Cr showing a spin density wave (SDW) state. In addition, a magnetic 'spd' tight binding model within the Stoner formalism was proposed and validated for Fe and Cr. The respective Stoner parameters were obtained by fitting to DFT data. This efficient semiempirical approach was shown to be accurate enough for studying various collinear and non-collinear phases of bulk Fe and Cr. It also enabled a detailed investigation of different polarization states of SDW in bcc Cr, where the longitudinal state was suggested to be the ground state, consistent with existing experimental data. PMID:21399309

  7. Worldline approach to helicity flip in plane waves

    NASA Astrophysics Data System (ADS)

    Ilderton, Anton; Torgrimsson, Greger

    2016-04-01

    We apply worldline methods to the study of vacuum polarization effects in plane wave backgrounds, in both scalar and spinor QED. We calculate helicity-flip probabilities to one loop order and treated exactly in the background field, and provide a toolkit of methods for use in investigations of higher-order processes. We also discuss the connections between the worldline, S-matrix, and lightfront approaches to vacuum polarization effects.

  8. Holography and entropy bounds in the plane wave matrix model

    SciTech Connect

    Bousso, Raphael; Mints, Aleksey L.

    2006-06-15

    As a quantum theory of gravity, matrix theory should provide a realization of the holographic principle, in the sense that a holographic theory should contain one binary degree of freedom per Planck area. We present evidence that Bekenstein's entropy bound, which is related to area differences, is manifest in the plane wave matrix model. If holography is implemented in this way, we predict crossover behavior at strong coupling when the energy exceeds N{sup 2} in units of the mass scale.

  9. Colliding gravitational plane waves with noncollinear polarization. II

    SciTech Connect

    Ernst, F.J.; Garcia D., A.; Hauser, I.

    1987-12-01

    A simple criterion for colliding gravitational plane waves is developed. This colliding wave condition is preserved by a new realization of the Geroch group augmented by a Kramer--Neugebauer involution. A three-parameter generalization of a two-parameter family of solutions with noncollinear polarization discovered recently by Ferrari, Ibanez, and Bruni is presented, and two additional solutions are derived that demonstrate that much larger families are likely to be constructed in the near future.

  10. Ultrafast vascular strain compounding using plane wave transmission.

    PubMed

    Hansen, H H G; Saris, A E C M; Vaka, N R; Nillesen, M M; de Korte, C L

    2014-03-01

    Deformations of the atherosclerotic vascular wall induced by the pulsating blood can be estimated using ultrasound strain imaging. Because these deformations indirectly provide information on mechanical plaque composition, strain imaging is a promising technique for differentiating between stable and vulnerable atherosclerotic plaques. This paper first explains 1-D radial strain estimation as applied intravascularly in coronary arteries. Next, recent methods for noninvasive vascular strain estimation in a transverse imaging plane are discussed. Finally, a compounding technique that our group recently developed is explained. This technique combines motion estimates of subsequently acquired focused ultrasound images obtained at various insonification angles. However, because the artery moves and deforms during the multi-angle acquisition, errors are introduced when compounding. Recent advances in computational power have enabled plane wave ultrasound acquisition, which allows 100 times faster image acquisition and thus might resolve the motion artifacts. In this paper the performance of strain imaging using plane wave compounding is investigated using simulations of an artery with a vulnerable plaque and experimental data of a two-layered vessel phantom. The results show that plane wave compounding outperforms 0° focused strain imaging. For the simulations, the root mean squared error reduced by 66% and 50% for radial and circumferential strain, respectively. For the experiments, the elastographic signal-to-noise and contrast-to-noise ratio (SNR(e) and CNR(e)) increased with 2.1 dB and 3.7 dB radially, and 5.6 dB and 16.2dB circumferentially. Because of the high frame rate, the plane wave compounding technique can even be further optimized and extended to 3D in future. PMID:24484646

  11. Variational solution of the three-dimensional Schrödinger equation using plane waves in adaptive coordinates.

    PubMed

    Pérez-Jordá, José M

    2011-11-28

    A series of improvements for the solution of the three-dimensional Schrödinger equation over a method introduced by Gygi [F. Gygi, Europhys. Lett. 19, 617 (1992); F. Gygi, Phys. Rev. B 48, 11692 (1993)] are presented. As in the original Gygi's method, the solution (orbital) is expressed by means of plane waves in adaptive coordinates u, where u is mapped from Cartesian coordinates, u=f(r). The improvements implemented are threefold. First, maps are introduced that allow the application of the method to atoms and molecules without the assistance of the supercell approximation. Second, the electron-nucleus singularities are exactly removed, so that pseudo-potentials are no longer required. Third, the sampling error during integral evaluation is made negligible, which results in a true variational, second-order energy error procedure. The method is tested on the hydrogen atom (ground and excited states) and the H(2)(+) molecule, resulting in milli-Hartree accuracy with a moderate number of plane waves. PMID:22128925

  12. Stolt's f-k migration for plane wave ultrasound imaging.

    PubMed

    Garcia, Damien; Le Tarnec, Louis; Muth, Stéphan; Montagnon, Emmanuel; Porée, Jonathan; Cloutier, Guy

    2013-09-01

    Ultrafast ultrasound is an emerging modality that offers new perspectives and opportunities in medical imaging. Plane wave imaging (PWI) allows one to attain very high frame rates by transmission of planar ultrasound wave-fronts. As a plane wave reaches a given scatterer, the latter becomes a secondary source emitting upward spherical waves and creating a diffraction hyperbola in the received RF signals. To produce an image of the scatterers, all the hyperbolas must be migrated back to their apexes. To perform beamforming of plane wave echo RFs and return high-quality images at high frame rates, we propose a new migration method carried out in the frequency-wavenumber (f-k) domain. The f-k migration for PWI has been adapted from the Stolt migration for seismic imaging. This migration technique is based on the exploding reflector model (ERM), which consists in assuming that all the scatterers explode in concert and become acoustic sources. The classical ERM model, however, is not appropriate for PWI. We showed that the ERM can be made suitable for PWI by a spatial transformation of the hyperbolic traces present in the RF data. In vitro experiments were performed to outline the advantages of PWI with Stolt's f-k migration over the conventional delay-and-sum (DAS) approach. The Stolt's f-k migration was also compared with the Fourier-based method developed by J.-Y. Lu. Our findings show that multi-angle compounded f-k migrated images are of quality similar to those obtained with a stateof- the-art dynamic focusing mode. This remained true even with a very small number of steering angles, thus ensuring a highly competitive frame rate. In addition, the new FFT-based f-k migration provides comparable or better contrast-to-noise ratio and lateral resolution than the Lu's and DAS migration schemes. Matlab codes for the Stolt's f-k migration for PWI are provided. PMID:24626107

  13. Decoding the matrix: Coincident membranes on the plane wave

    SciTech Connect

    Bousso, Raphael; Mints, Aleksey L.

    2006-03-15

    At the core of nonperturbative theories of quantum gravity lies the holographic encoding of bulk data in large matrices. At present this mapping is poorly understood. The plane wave matrix model provides a laboratory for isolating aspects of this problem in a controlled setting. At large boosts, configurations of concentric membranes become superselection sectors, whose exact spectra are known. From the bulk point of view, one expects product states of individual membranes to be contained within the full spectrum. However, for non-BPS states this inclusion relation is obscured by Gauss law constraints. Its validity rests on nontrivial relations in representation theory, which we identify and verify by explicit computation.

  14. Multipole and plane wave expansions of diverging and converging fields.

    PubMed

    Hoang, Thanh Xuan; Chen, Xudong; Sheppard, Colin J R

    2014-04-21

    This paper presents and compares two basis systems, spherical harmonics and plane waves, for studying diverging and converging beams in an optical system. We show a similarity between a converging field and the time reversed field of a radiation field. We present and analyze the differences between the Debye-Wolf diffraction integral and the multipole theory for focusing of polarized light. The Debye-Wolf diffraction integral gives a well-known anomalous behavior on the optical axis and at the edge of the focused beam that can be avoided by using the multipole theory. PMID:24787784

  15. Various approximations made in augmented-plane-wave calculations

    NASA Astrophysics Data System (ADS)

    Bacalis, N. C.; Blathras, K.; Thomaides, P.; Papaconstantopoulos, D. A.

    1985-10-01

    The effects of various approximations used in performing augmented-plane-wave calculations were studied for elements of the fifth and sixth columns of the Periodic Table, namely V, Nb, Ta, Cr, Mo, and W. Two kinds of approximations have been checked: (i) variation of the number of k points used to iterate to self-consistency, and (ii) approximations for the treatment of the core states. In addition a comparison between relativistic and nonrelativistic calculations is made, and an approximate method of calculating the spin-orbit splitting is given.

  16. G W with linearized augmented plane waves extended by high-energy local orbitals

    NASA Astrophysics Data System (ADS)

    Jiang, Hong; Blaha, Peter

    2016-03-01

    Many-body perturbation theory in the G W approximation is currently the most accurate and robust first-principles approach to determine the electronic band structure of weakly correlated insulating materials without any empirical input. Recent G W results for ZnO with more careful investigation of the convergence with respect to the number of unoccupied states have led to heated debates regarding the numerical accuracy of previously reported G W results using either pseudopotential plane waves or all-electron linearized augmented plane waves (LAPWs). The latter has been arguably regarded as the most accurate scheme for electronic-structure theory for solids. This work aims to solve the ZnO puzzle via a systematic investigation of the effects of including high-energy local orbitals (HLOs) in the LAPW-based G W calculations of semiconductors. Using ZnO as the prototypical example, it is shown that the inclusion of HLOs has two main effects: it improves the description of high-lying unoccupied states by reducing the linearization errors of the standard LAPW basis, and in addition it provides an efficient way to achieve the completeness in the summation of states in G W calculations. By investigating the convergence of G W band gaps with respect to the number of HLOs for several other typical examples, it was found that the effects of HLOs are highly system-dependent, and in most cases the inclusion of HLOs changes the band gap by less than 0.2 eV. Compared to its effects on the band gap, the consideration of HLOs has even stronger effects on the G W correction to the valence-band maximum, which is of great significance for the G W prediction of the ionization potentials of semiconductors. By considering an extended set of semiconductors with relatively well-established experimental band gaps, it was found that in general using a HLO-enhanced LAPW basis significantly improves the agreement with experiment for both the band gap and the ionization potential, and overall

  17. The implementation of holography in the plane wave matrix model

    NASA Astrophysics Data System (ADS)

    Mints, Aleksey Leonidovich

    It is expected that at the core of nonperturbative theories of quantum gravity, such as M-theory, lies the realization of the holographic principle, in the sense that a holographic theory should contain one binary degree of freedom per Planck area. Present understanding of such theories requires the holographic encoding of bulk data in large matrices. Currently this mapping is poorly understood. The plane wave matrix model provides a laboratory for isolating aspects of this problem in a controlled setting. At large boosts, configurations of concentric membranes become superselection sectors, whose exact spectra are known. From the bulk point of view one expects product states of individual membranes to be contained within the full spectrum. However, for non-BPS states this inclusion relation is obscured by Gauss law constraints. Its validity rests on nontrivial relations in representation theory, which we identify and verify by explicit computation. Beyond the decoding and partial identification of selected states in large matrices, one would like to get a better understanding of the holographic state counting of these degrees of freedom, i.e., entropy. Contrary to the naive expectation of holography realized in terms of the covariant entropy bound, we present evidence that it is the Bekenstein entropy bound, which is related to area differences, that is manifest in the plane wave matrix model. If holography is implemented in this way, we predict crossover behavior at strong coupling when the energy exceeds N2 in units of the mass scale.

  18. Plane wave based selfconsistent solution of the GW Dyson equation

    NASA Astrophysics Data System (ADS)

    Wang, Lin-Wang; Cao, Huawei

    We have developed a selfconsistent procedure to calculate the full Dyson equation based on plane wave basis set. The whole formalism is based on the Greens function matrix of the plane wave G-vector. There is no truncation of the conduction band when the dielectric function is calculated. The Dyson equation is the variational minimum solution of the total energy in terms of the Greens function. The calculation uses the ''space-time'' method, with special algorithm for imaginary time integration and Fourier transformation. We have tested isolated molecules and periodic systems. The effects of selfconsistency compared to the G0W0 results will be presented. We will also discuss some special techniques used in the k-point summation for the periodic system. Massive parallelization is used to carry out such calculations. This work is supported by the Director, SC/BES/MSED of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, through the Material Theory program at Lawrence Berkeley National Laboratory.

  19. Six-mm, plane-wave shock driver

    SciTech Connect

    Frank, A.M.; Chau, H.H.

    1993-06-14

    A 6-mm-diameter, plane-wave shock generation system has been developed and characterized as a laboratory bench driver for small scale experiments. The driver is based on an exploding-foil-driven slapper used either directly or to initiate an HE pellet. The slapper is driven by a low-inductance fireset with burst currents on the order of 30 kA and burst times of about 250ns, with a time-to-burst jitter under 10ns. Both the slapper impact and the detonation breakout of the pellet have been measured to be flat to within 10ns over a 6-mm diameter. Fabry-Perot velocimetry of impacts with LiF crystals were used to characterize shock pressures and durations. Attenuator plates and flyers driven by the HE were also measured, which provided a variety of available pulse shapes and data for modeling efforts.

  20. Gravitational scattering of zero-rest-mass plane waves

    NASA Technical Reports Server (NTRS)

    De Logi, W. K.; Kovacs, S. J., Jr.

    1977-01-01

    The Feyman-diagram technique is used to calculate the differential cross sections for the scattering of zero-rest-mass plane waves of spin 0, 1, and 2 by linearized Schwarzschild and Kerr geometries in the long-wavelength weak-field limit. It is found that the polarization of right (or left) circularly polarized electromagnetic waves is unaffected by the scattering process (i.e., helicity is conserved) and that the two helicity (polarization) states of the photon are scattered differently by the Kerr geometry. This coupling between the photon helicity and the angular momentum of the scatterer also leads to a partial polarization of unpolarized incident light. For gravitational waves, on the other hand, there is neither helicity conservation nor helicity-dependent scattering; the angular momentum of the scatterer has no polarizing effect on incident unpolarized gravitational waves.

  1. The angular apodization in coherent plane-wave compounding.

    PubMed

    Rodriguez-Molares, Alfonso; Torp, Hans; Denarie, Bastien; Løvstakken, Lasse

    2015-11-01

    This article describes the relation between apodization in conventional focused imaging and apodization in coherent plane-wave compounding (CPWC). We pose the hypothesis that equivalent transmit beams can be produced with both methods if the transmit apodization is adequately transformed. We derive a relation between apodization in CPWC and in synthetic transmit aperture imaging (STAI), which we argue to be equivalent to conventional optimal multifocus imaging. We find that under certain conditions, the transformation of the apodization becomes trivial and the same window used in STAI can be applied for CPWC but extended to the whole angle sequence. We test the hypothesis with in silico data and find that the transformed apodization accurately mimics the objective transmit apodization, with differences in the lateral resolution between 3% and 6%. PMID:26559630

  2. Reflectarray Demonstrated to Transform Spherical Waves into Plane Waves

    NASA Technical Reports Server (NTRS)

    Zaman, Afrosz J.

    1998-01-01

    The development of low-cost, high-efficiency array antennas has been the research focus of NASA Lewis Research Center's Communications Technology Division for the past 15 years. One area of current interest is reflectarray development. Reflectarrays have generally been used to replace reflector antennas. In this capacity, different configurations (such as prime focus and offset) and various applications (such as dual frequency and scanning) have been demonstrated with great success. One potential application that has not been explored previously is the use of reflectarrays to compensate for phase errors in space-power-combining applications, such as a space-fed lens and power-combining amplifiers. Recently, we experimentally investigated the feasibility of using a reflectarray as an alternative to a dielectric lens for such applications. The experiment involved transforming the spherical waves from an orthomode horn to plane waves at the horn aperture. The reflectarray consists of square patches terminated in open stubs to provide the necessary phase compensation.

  3. Inhomogeneous plane wave and the most energetic complex ray.

    PubMed

    Deschamps, M; Poncelet, O

    2002-05-01

    This paper presents a study on the wave surfaces of anisotropic solids. In addition to the classical and real rays, which are defined by the normal to the slowness surfaces, it is obtained complex rays, which are associated to specific inhomogeneous plane waves. Referring to the complex Christoffel's equation and to the Fermat's principle, an intrinsic equation can be associated to these complex rays. Limiting the study to principal planes and plotting the associated complex wave surfaces, it can be shown that four energetic rays always exist in any directions for both quasi-isotropic and anisotropic media (even beyond the cusp). Consequently, it is always possible to define four closed wave surfaces (real or not). PMID:12159950

  4. Source function and plane waves: Toward complete bader analysis.

    PubMed

    Tantardini, Christian; Ceresoli, Davide; Benassi, Enrico

    2016-09-01

    The source function (SF) is a topological descriptor that was introduced and developed by C. Gatti and R.W. Bader in 1998. The SF describes the contribution of each atom to the total electron density at a given point. To date, this descriptor has only been calculable from electron densities generated by all-electron (AE) methods for the investigation of single molecules or periodic systems. This study broadens the accessibility of the SF, offering its calculation from electron densities generated by plane wave (PW) methods. The new algorithm has been implemented in the open source code, CRITIC2. Our novel approach has been validated on a series of test systems, comparing the results obtained at PW level with those previously obtained through AE methods. © 2016 Wiley Periodicals, Inc. PMID:27364862

  5. First principles pseudopotential calculations on aluminum and aluminum alloys

    SciTech Connect

    Davenport, J.W.; Chetty, N.; Marr, R.B.; Narasimhan, S.; Pasciak, J.E.; Peierls, R.F.; Weinert, M.

    1993-12-31

    Recent advances in computational techniques have led to the possibility of performing first principles calculations of the energetics of alloy formation on systems involving several hundred atoms. This includes impurity concentrations in the 1% range as well as realistic models of disordered materials (including liquids), vacancies, and grain boundaries. The new techniques involve the use of soft, fully nonlocal pseudopotentials, iterative diagonalization, and parallel computing algorithms. This approach has been pioneered by Car and Parrinello. Here the authors give a review of recent results using parallel and serial algorithms on metallic systems including liquid aluminum and liquid sodium, and also new results on vacancies in aluminum and on aluminum-magnesium alloys.

  6. Ab initio pseudopotential calculation for TTF-TCNQ and TSeF-TCNQ

    NASA Astrophysics Data System (ADS)

    Ishibashi, Shoji; Kohyama, Masanori

    2000-09-01

    We have investigated the electronic structure of the quasi-one-dimensional organic conductor TTF-TCNQ [at room temperature (RT) and 100 K] and TSeF-TCNQ (RT), which have isomorphic crystal structure, by an ab initio plane-wave pseudopotential band calculation. To express the exchange and correlation energy for electrons, we used both the local density approximation and generalized gradient approximation for comparison. For each case, electronic band dispersions were calculated along several symmetric lines and tight-binding parameters were evaluated. The Fermi surface shape was also obtained. The six sets of results (for three structures and two approximations) were compared systematically.

  7. Complex band structure with ultrasoft pseudopotentials: fcc Ni and Ni nanowire

    NASA Astrophysics Data System (ADS)

    Smogunov, Alexander; Dal Corso, Andrea; Tosatti, Erio

    2003-06-01

    We generalize to magnetic transition metals the approach proposed by Choi and Ihm for calculating the complex band structure of periodic systems, a key ingredient for future calculations of conductivity of an open quantum system within the Landauer-Buttiker theory. The method is implemented with ultrasoft pseudopotentials and plane wave basis set in a DFT-LSDA ab initio scheme. As a first example, we present the complex band structure of bulk fcc Ni (which constitutes the tips of a Ni nanocontact) and monatomic Ni wire (the junction between two tips). Based on our results, we anticipate some features of the spin-dependent conductance in a Ni nanocontact.

  8. Synchrotron-radiation plane-wave GID topography (abstract)

    NASA Astrophysics Data System (ADS)

    Novikov, D. V.; Gog, T.; Griebenow, M.; Materlik, G.

    1995-02-01

    X-ray-diffraction topography is a traditional tool for investigating the real structure of crystals and provides high sensitivity to lattice constant variations with good space resolution. However, recent advances in technology and the growing importance of surface regions of single-crystal and multilayer systems require new approaches to this method, which are made possible by the high brightness and wide tunability of synchrotron radiation. In this work the SR plane-wave grazing-incidence diffraction (GID) topography is discussed as an effective tool for depth-resolved investigations of near-surface defect structures in single crystals and epitaxial layers. The favorable properties of synchrotron radiation enable one to avoid the usual limitations on applicability of this diffraction geometry and investigate all classes of defects in real materials. The experiments were performed at the beamlines ROEMO1 and CEMO of HASYLAB, using double-crystal Ge/asymmetric Si monochromators. The image formation of near-surface dislocations and the effects of refraction on rough surfaces were investigated. Oblique diffraction planes were used to compare the topography in skew incoplanar and coplanar geometries. The latter is shown to be more effective, as it utilizes the wavelength tunability of SR and allows one to vary the diffraction conditions in a wide range from usual highly asymmetric to grazing incidence below the critical angle of total external reflection (and the penetration depth from hundreds to tens of nanometers) without off-plane rotations and provides pictures free of complicated geometrical distortions. The dislocation images at different diffraction conditions proved to be qualitatively the same for near-surface defects, while the structure distortions, produced by the defects in the underlying layers, become invisible at grazing incidence, due to both depth resolution of the method and inevitable loss of lattice-parameter resolution. This might be a

  9. Acoustic plane wave preferential orientation of metal oxide superconducting materials

    DOEpatents

    Tolt, Thomas L.; Poeppel, Roger B.

    1991-01-01

    A polycrystalline metal oxide such as YBa.sub.2 Cu.sub.3 O.sub.7-X (where 0plane wave in the acoustic or ultrasonic frequency range (either progressive or standing) in applying a torque to each crystal particle. The ceramic slip is then set and fired by conventional methods to produce a conductor with preferentially oriented grains and substantially enhanced current carrying capacity.

  10. The plain truth about forming a plane wave of neutrons

    NASA Astrophysics Data System (ADS)

    Wagh, Apoorva G.; Abbas, Sohrab; Treimer, Wolfgang

    2011-04-01

    We have attained the first sub-arcsecond collimation of a monochromatic neutron beam by diffracting neutrons from a Bragg prism, viz. a single crystal prism operating in the vicinity of Bragg incidence. Analytical as well numerical computations based on the dynamical diffraction theory, led to the optimised collimator configuration of a silicon {1 1 1} Bragg prism for 5.26 Å neutrons. We fabricated a Bragg prism to these specifications, tested and operated it at the double diffractometer setup in Helmholtz Zentrum Berlin to produce a 0.58 arcsec wide monochromatic neutron beam. With a similarly optimised Bragg prism analyser of opposite asymmetry, we recorded a 0.62 arcsec wide virgin rocking curve for this ultra-parallel beam. With this nearly plane-wave neutron beam, we have recorded the first ever USANS spectrum in Q˜10-6 Å-1 range with a hydroxyapatite casein protein sample and demonstrated the instrument capability to characterise agglomerates up to 150 μm in size. The super-collimated monochromatic beam has also enabled us to record the first neutron diffraction pattern from a macroscopic grating of 200 μm period. The transverse coherence length of 175 μm (FWHM) of the ultra-parallel beam derived from the analysis of this pattern, is the greatest achieved to date for Å wavelength neutrons.

  11. Dispersive photonic crystals from the plane wave method

    NASA Astrophysics Data System (ADS)

    Guevara-Cabrera, E.; Palomino-Ovando, M. A.; Flores-Desirena, B.; Gaspar-Armenta, J. A.

    2016-03-01

    Nowadays photonic crystals are widely used in many different applications. One of the most used methods to compute their band structure is the plane wave method (PWM). However, it can only be applied directly to non-dispersive media and be extended to systems with a few model dielectric functions. We explore an extension of the PWM to photonic crystals containing dispersive materials, that solves an eigenvalue equation for the Bloch wave vectors. First we compare our calculation with analytical results for one dimensional photonic crystals containing Si using experimental values of its optical parameters, and obtainig very well agreement, even for the spectrum region with strong absorption. Then, using the same method, we computed the band structure for a two dimensional photonic crystal without absorption, formed by an square array of MgO cylinders in air. The optical parameters for MgO were modeled with the Lorentz dielectric function. Finally, we studied an array of MgO cylinders in a metal, using Drude model without absorption, for the metal dielectric function. For this last case, we study the gap-midgap ratio as a function of the filling fraction for both the square and triangular lattice. The gap-midgap ratio is larger for the triangular lattice, with a maximum value of 10% for a filling fraction of 0.6. Our results show that the method can be applied to dispersive materials, and then to a wide range of applications where photonic crystals can be used.

  12. NMR Shielding in Metals Using the Augmented Plane Wave Method

    PubMed Central

    2015-01-01

    We present calculations of solid state NMR magnetic shielding in metals, which includes both the orbital and the complete spin response of the system in a consistent way. The latter contains an induced spin-polarization of the core states and needs an all-electron self-consistent treatment. In particular, for transition metals, the spin hyperfine field originates not only from the polarization of the valence s-electrons, but the induced magnetic moment of the d-electrons polarizes the core s-states in opposite direction. The method is based on DFT and the augmented plane wave approach as implemented in the WIEN2k code. A comparison between calculated and measured NMR shifts indicates that first-principle calculations can obtain converged results and are more reliable than initially concluded based on previous publications. Nevertheless large k-meshes (up to 2 000 000 k-points in the full Brillouin-zone) and some Fermi-broadening are necessary. Our results show that, in general, both spin and orbital components of the NMR shielding must be evaluated in order to reproduce experimental shifts, because the orbital part cancels the shift of the usually highly ionic reference compound only for simple sp-elements but not for transition metals. This development paves the way for routine NMR calculations of metallic systems. PMID:26322148

  13. Photoelectron wave function in photoionization: plane wave or Coulomb wave?

    PubMed

    Gozem, Samer; Gunina, Anastasia O; Ichino, Takatoshi; Osborn, David L; Stanton, John F; Krylov, Anna I

    2015-11-19

    The calculation of absolute total cross sections requires accurate wave functions of the photoelectron and of the initial and final states of the system. The essential information contained in the latter two can be condensed into a Dyson orbital. We employ correlated Dyson orbitals and test approximate treatments of the photoelectron wave function, that is, plane and Coulomb waves, by comparing computed and experimental photoionization and photodetachment spectra. We find that in anions, a plane wave treatment of the photoelectron provides a good description of photodetachment spectra. For photoionization of neutral atoms or molecules with one heavy atom, the photoelectron wave function must be treated as a Coulomb wave to account for the interaction of the photoelectron with the +1 charge of the ionized core. For larger molecules, the best agreement with experiment is often achieved by using a Coulomb wave with a partial (effective) charge smaller than unity. This likely derives from the fact that the effective charge at the centroid of the Dyson orbital, which serves as the origin of the spherical wave expansion, is smaller than the total charge of a polyatomic cation. The results suggest that accurate molecular photoionization cross sections can be computed with a modified central potential model that accounts for the nonspherical charge distribution of the core by adjusting the charge in the center of the expansion. PMID:26509428

  14. Quasinormal modes in de Sitter space: Plane wave method

    NASA Astrophysics Data System (ADS)

    Tanhayi, M. Reza

    2014-09-01

    Recently, in the context of dS/CFT correspondence, quasinormal modes have been put forward to address certain features of this conjecture. In particular, it is argued that the dual states of quasinormal modes are in fact the states of CFT3 which are created by operator insertions. For a scalar field in dS4, quasinormal modes which are singular on the past horizon of the south pole and decay exponentially towards the future have been considered in [G. S. Ng and A. Strominger, Classical Quantum Gravity 30, 104002 (2013); D. L. Jafferis et al., arXiv:1305.5523]; these modes lie in two complex highest-weight representations of the dS4 isometry group. In this work, we present a simple group representation analysis of these modes so that the de Sitter invariance is obviously manifest. By making use of the so-called plane wave method, we will show that the quasinormal modes correspond to one class of the unitary irreducible representation of the de Sitter group. This consideration could be generalized straightforwardly for higher-spin fields and higher dimensions; in particular, we will study the quasinormal modes for gauge and spinor fields, and, in the case of a scalar field, the generalization to higher dimensions is also obtained.

  15. Dynamical representation of the operators for the Dirac particle in the field of a plane wave

    NASA Astrophysics Data System (ADS)

    Lobanov, A. E.

    2015-01-01

    We find an explicit form of the integrals of motion for a Dirac particle placed in a plane-wave field. These operators are a realization of the Lie algebra of the Poincaré group in the case where the representation space consists of solutions of the Dirac-Pauli equation for the particle in a plane-wave field.

  16. Modulational instability and solitons in nonlocal media with competing nonlinearities

    SciTech Connect

    Esbensen, B. K.; Bache, M.; Bang, O.; Wlotzka, A.; Krolikowski, W.

    2011-11-15

    We investigate analytically and numerically propagation and spatial localization of light in nonlocal media with competing nonlinearities. In particular, we discuss conditions for the modulational instability of plane waves and formation of spatial solitons. We show that the competing focusing and defocusing nonlinearities enable coexistence of dark or bright spatial solitons in the same medium by varying the intensity of the beam.

  17. Truncated spherical-wave basis set for first-principles pseudopotential calculations

    NASA Astrophysics Data System (ADS)

    Monserrat, B.; Haynes, P. D.

    2010-11-01

    Analytic results for two- and three-centre integrals are derived for the truncated spherical-wave basis set designed for first-principles pseudopotential calculations within density-functional theory. These allow the overlap, kinetic energy and non-local pseudopotential matrix elements to be calculated efficiently and accurately. In particular, the scaling of the computational effort with maximum angular momentum component is dramatically improved and the projection method takes full account of the discontinuities in the basis functions arising from their localization within spherical regions.

  18. Plane waves in de Sitter space: Spin-1/2 field

    NASA Astrophysics Data System (ADS)

    Reza Tanhayi, M.; Mohsenzadeh, M.; Yusofi, E.

    2016-06-01

    We employ the coordinate-independent plane wave solution in de Sitter space to study the spin-1/2 particle production. The so-called plane waves in the zero-curvature limit reduce to the usual plane waves in flat space. Previously in (Int. J. Mod. Phys. D 24, 1550052 (2015)) we used such modes to study the instability of the de Sitter space, here, by explicit calculation, we study the sipn-1/2 particle creation in de Sitter space caused by mixing modes.

  19. Gauss' law and nonlinear plane waves for Yang-Mills theory

    NASA Astrophysics Data System (ADS)

    Tsapalis, A.; Politis, E. P.; Maintas, X. N.; Diakonos, F. K.

    2016-04-01

    We investigate nonlinear plane-wave solutions of the classical Minkowskian Yang-Mills (YM) equations of motion. By imposing a suitable ansatz which solves Gauss' law for the SU(3) theory, we derive solutions which consist of Jacobi elliptic functions depending on an enumerable set of elliptic modulus values. The solutions represent periodic anharmonic plane waves which possess arbitrary nonzero mass and are exact extrema of the nonlinear YM action. Among them, a unique harmonic plane wave with a nontrivial pattern in phase, spin, and color is identified. Similar solutions are present in the SU(4) case, while they are absent from the SU(2) theory.

  20. Pseudopotential Method for Higher Partial Wave Scattering

    SciTech Connect

    Idziaszek, Zbigniew; Calarco, Tommaso

    2006-01-13

    We present a zero-range pseudopotential applicable for all partial wave interactions between neutral atoms. For p and d waves, we derive effective pseudopotentials, which are useful for problems involving anisotropic external potentials. Finally, we consider two nontrivial applications of the p-wave pseudopotential: we solve analytically the problem of two interacting spin-polarized fermions confined in a harmonic trap, and we analyze the scattering of p-wave interacting particles in a quasi-two-dimensional system.

  1. First principles pseudopotential calculations on aluminum and aluminum alloys

    SciTech Connect

    Davenport, J.W.; Chetty, N.; Marr, R.B.; Narasimhan, S.; Pasciak, J.E.; Peierls, R.F.; Weinert, M.; Rahman, T.S.

    1994-12-31

    Recent advances in computational techniques have led to the possibility of performing first principles calculations of the energetics of alloy formation on systems involving several hundred atoms. This includes impurity concentrations in the 1% range as well as realistic models of disordered materials (including liquids), vacancies, and grain boundaries. The new techniques involve the use of soft, fully nonlocal pseudopotentials, iterative diagonalization, and parallel computing algorithms. This approach has been pioneered by Car and Parrinello. Here the authors give a review of recent results using parallel and serial algorithms by their group on metallic systems including liquid aluminum and liquid sodium, and also new results on vacancies in aluminum and on aluminum-magnesium alloys.

  2. Nonlocality Without Nonlocality

    NASA Astrophysics Data System (ADS)

    Weinstein, Steven

    2009-08-01

    Bell’s theorem is purported to demonstrate the impossibility of a local “hidden variable” theory underpinning quantum mechanics. It relies on the well-known assumption of ‘locality’, and also on a little-examined assumption called ‘statistical independence’ ( SI). Violations of this assumption have variously been thought to suggest “backward causation”, a “conspiracy” on the part of nature, or the denial of “free will”. It will be shown here that these are spurious worries, and that denial of SI simply implies nonlocal correlation between spacelike degrees of freedom. Lorentz-invariant theories in which SI does not hold are easily constructed: two are exhibited here. It is conjectured, on this basis, that quantum-mechanical phenomena may be modeled by a local theory after all.

  3. Benchmarking the pseudopotential and fixed-node approximations in diffusion Monte Carlo calculations of molecules and solids

    DOE PAGESBeta

    Nazarov, Roman; Shulenburger, Luke; Morales, Miguel A.; Hood, Randolph Q.

    2016-03-28

    Diffusion Monte Carlo (DMC) calculations of the spectroscopic properties of a large set of molecules were performed, assessing the effect of different approximations. In systems containing elements with large atomic numbers, we show that the errors associated with the use of nonlocal mean-field-based pseudopotentials in DMC calculations can be significant and may surpass the fixed-node error. We suggest practical guidelines for reducing these pseudopotential errors, which allow us to obtain DMC-computed spectroscopic parameters of molecules and equation of state properties of solids in excellent agreement with experiment.

  4. Benchmarking the pseudopotential and fixed-node approximations in diffusion Monte Carlo calculations of molecules and solids

    NASA Astrophysics Data System (ADS)

    Nazarov, R.; Shulenburger, L.; Morales, M.; Hood, Randolph Q.

    2016-03-01

    We performed diffusion Monte Carlo (DMC) calculations of the spectroscopic properties of a large set of molecules, assessing the effect of different approximations. In systems containing elements with large atomic numbers, we show that the errors associated with the use of nonlocal mean-field-based pseudopotentials in DMC calculations can be significant and may surpass the fixed-node error. We suggest practical guidelines for reducing these pseudopotential errors, which allow us to obtain DMC-computed spectroscopic parameters of molecules and equation of state properties of solids in excellent agreement with experiment.

  5. kṡp formula for use with linearized augmented plane waves

    NASA Astrophysics Data System (ADS)

    Shishidou, Tatsuya; Oguchi, Tamio

    2008-12-01

    We provide kṡp formalism within the full-potential linearized augmented plane-wave (LAPW) method. Unlike the pure plane waves, the LAPW functions do not behave trivially in moving from k to k+q and their incompleteness as a basis set should be taken into account. Derivatives of the sphere matching coefficients play the key role, for which we find a simple formula. Concrete formula for the kṡp matrix elements is derived and numerically tested. Generalized second-order perturbation theory allowing for a degenerate case is presented and the literally exact electronic band gradients and curvatures are accessible.

  6. Killing spinors and exact plane-wave solutions of extended supergravity

    NASA Astrophysics Data System (ADS)

    Hull, C. M.

    1984-07-01

    Urrutia's ansatz for exact plane-wave solutions of simple supergravity is generalized to N=2 extended supergravity and conditions are given for the solutions to be nontrivial. Conditions are also given for the plane-wave background to be invariant under a local supersymmetry transformation generated by a Killing spinor. It is seen that even though a bosonic background can admit a spin-32 solution when it does not possess a Killing spinor, if it is supersymmetric it admits a more general gravitino solution. Comparison is made with the solutions of Aichelburg and Dereli.

  7. Solid explosive plane-wave lenses pressed-to-shape with dies

    SciTech Connect

    Olinger, B.

    2007-11-01

    Solid-explosive plane-wave lenses 1", 2" and 4¼" in diameter have been mass-produced from components pressed-to-shape with aluminum dies. The method used to calculate the contour between the solid plane-wave lens components pressed-to-shape with the dies is explained. The steps taken to press, machine, and assemble the lenses are described. The method of testing the lenses, the results of those tests, and the corrections to the dies are reviewed. The work on the ½", 8", and 12" diameter lenses is also discussed.

  8. On the optical theorem and non-plane-wave scattering in quantum mechanics

    NASA Astrophysics Data System (ADS)

    Gouesbet, G.

    2009-11-01

    In quantum mechanics, the optical theorem states that the extinction cross section is equal (within a prefactor 4π/k, in which k is a quantum wave number) to the imaginary part of the forward scattering angular function. This theorem is valid for plane wave scattering. We discuss modifications required for non-plane-wave scattering and establish a generalized expression for the extinction cross section in quantum mechanics. Examples are provided for two kinds of quantum shaped beams, namely, Gaussian and Bessel beams.

  9. Efficiency of magnetic plane wave pumping of a ferrofluid through a planar duct

    NASA Astrophysics Data System (ADS)

    Felderhof, B. U.

    2011-09-01

    The efficiency of ferrohydrodynamic pumping of a ferrofluid through a planar duct by means of a running magnetic plane wave is studied to second order in the amplitude of the exciting current density. The rate of dissipation in the fluid is calculated from the first order magnetic field and magnetization. It turns out that the efficiency, defined as the ratio of net flow velocity to power input, is comparable in magnitude to that for Stokes peristaltic pumping. The theory for electrohydrodynamic pumping of a polar liquid by means of a running electric plane wave is shown to be nearly identical.

  10. Vectorial spherical-harmonics representation of an inhomogeneous elliptically polarized plane wave.

    PubMed

    Frezza, F; Mangini, F

    2015-07-01

    In this paper, a generalization of the vectorial spherical-harmonics expansion of an inhomogeneous elliptically polarized plane wave is presented. The solution has been achieved using the Legendre functions generalized via hypergeometric and gamma functions, shifting the difficulty to the determination of only expansion coefficients. In order to validate the presented method, a Matlab code has been implemented. To compare the results a Mie scattering by a sphere is considered, then a truncation criterion for the numerical evaluation of the series is proposed, and the Mie scattering coefficients by perfectly conducting and dielectric spheres excited by an inhomogeneous elliptically polarized plane wave are shown. PMID:26367169

  11. Free energy and phase transition of the matrix model on a plane wave

    SciTech Connect

    Hadizadeh, Shirin; Ramadanovic, Bojan; Semenoff, Gordon W.; Young, Donovan

    2005-03-15

    It has recently been observed that the weakly coupled plane-wave matrix model has a density of states which grows exponentially at high energy. This implies that the model has a phase transition. The transition appears to be of first order. However, its exact nature is sensitive to interactions. In this paper, we analyze the effect of interactions by computing the relevant parts of the effective potential for the Polyakov loop operator in the finite temperature plane-wave matrix model to three-loop order. We show that the phase transition is indeed of first order. We also compute the correction to the Hagedorn temperature to order two loops.

  12. The use of the plane wave fluid-structure interaction loading approximation in NASTRAN

    NASA Technical Reports Server (NTRS)

    Dawson, R. L.

    1991-01-01

    The Plane Wave Approximation (PWA) is widely used in finite element analysis to implement the loading generated by an underwater shock wave. The method required to implement the PWA in NASTRAN is presented along with example problems. A theoretical background is provided and the limitations of the PWA are discussed.

  13. The Relativistic Transformation for an Electromagnetic Plane Wave with General Time Dependence

    ERIC Educational Resources Information Center

    Smith, Glenn S.

    2012-01-01

    In special relativity, the transformation between inertial frames for an electromagnetic plane wave is usually derived for the time-harmonic case (the field is a sinusoid of infinite duration), even though all practical waves are of finite duration and may not even contain a dominant sinusoid. This paper presents an alternative derivation in which…

  14. A beamforming method for plane wave Doppler imaging of high flow velocities

    NASA Astrophysics Data System (ADS)

    Mansour, Omar; Poepping, Tamie L.; Lacefield, James C.

    2016-04-01

    Plane wave imaging is desirable for its ability to achieve high frame rates, allowing the capture of fast dynamic events, and continuous Doppler data. In most implementations of plane-wave imaging, multiple low resolution image (LRI) frames from different plane wave tilt angles are compounded to form a single high resolution image (HRI) frame, thereby reducing the frame rate. Compounding is a low-pass mean filter that causes attenuation and aliasing to signals with high Doppler shifts. On the other hand, the lateral beam profile and hence the quality of the HRI frames is improved by increasing the number of compounded frames. Therefore, a tradeoff exists between the Doppler limits and beam profile. In this paper, we present a method that eliminates this tradeoff and produces high resolution images without the use of compounding. The method suppresses the off-focus (clutter) signal by spreading its spectrum, while keeping the spectrum of the in-focus signal intact. The spreading is achieved by using a random sequence of tilt angles, as opposed to a linear sweep. Experiments performed using a carotid vessel phantom with constant flow demonstrate that the spread-spectrum method more accurately measures the parabolic flow profile of the vessel and in particular outperforms conventional plane-wave Doppler at higher flow velocities. The spread-spectrum method is expected to be valuable for Doppler applications that require measurement of high velocities at high frame rates.

  15. From plane waves to local Gaussians for the simulation of correlated periodic systems.

    PubMed

    Booth, George H; Tsatsoulis, Theodoros; Chan, Garnet Kin-Lic; Grüneis, Andreas

    2016-08-28

    We present a simple, robust, and black-box approach to the implementation and use of local, periodic, atom-centered Gaussian basis functions within a plane wave code, in a computationally efficient manner. The procedure outlined is based on the representation of the Gaussians within a finite bandwidth by their underlying plane wave coefficients. The core region is handled within the projected augment wave framework, by pseudizing the Gaussian functions within a cutoff radius around each nucleus, smoothing the functions so that they are faithfully represented by a plane wave basis with only moderate kinetic energy cutoff. To mitigate the effects of the basis set superposition error and incompleteness at the mean-field level introduced by the Gaussian basis, we also propose a hybrid approach, whereby the complete occupied space is first converged within a large plane wave basis, and the Gaussian basis used to construct a complementary virtual space for the application of correlated methods. We demonstrate that these pseudized Gaussians yield compact and systematically improvable spaces with an accuracy comparable to their non-pseudized Gaussian counterparts. A key advantage of the described method is its ability to efficiently capture and describe electronic correlation effects of weakly bound and low-dimensional systems, where plane waves are not sufficiently compact or able to be truncated without unphysical artifacts. We investigate the accuracy of the pseudized Gaussians for the water dimer interaction, neon solid, and water adsorption on a LiH surface, at the level of second-order Møller-Plesset perturbation theory. PMID:27586908

  16. A study of H+H2 and several H-bonded molecules by phaseless auxiliary-field quantum Monte Carlo with plane wave and Gaussian basis sets.

    PubMed

    Al-Saidi, W A; Krakauer, Henry; Zhang, Shiwei

    2007-05-21

    The authors present phaseless auxiliary-field (AF) quantum Monte Carlo (QMC) calculations of the ground states of some hydrogen-bonded systems. These systems were selected to test and benchmark different aspects of the new phaseless AF QMC method. They include the transition state of H+H(2) near the equilibrium geometry and in the van der Walls limit, as well as the H(2)O, OH, and H(2)O(2) molecules. Most of these systems present significant challenges for traditional independent-particle electronic structure approaches, and many also have exact results available. The phaseless AF QMC method is used either with a plane wave basis with pseudopotentials or with all-electron Gaussian basis sets. For some systems, calculations are done with both to compare and characterize the performance of AF QMC under different basis sets and different Hubbard-Stratonovich decompositions. Excellent results are obtained using as input single Slater determinant wave functions taken from independent-particle calculations. Comparisons of the Gaussian based AF QMC results with exact full configuration interaction show that the errors from controlling the phase problem with the phaseless approximation are small. At the large basis-size limit, the AF QMC results using both types of basis sets are in good agreement with each other and with experimental values. PMID:17523796

  17. Effects of missing low-frequency information on ptychographic and plane-wave coherent diffraction imaging.

    PubMed

    Liu, Haigang; Xu, Zijian; Zhang, Xiangzhi; Wu, Yanqing; Guo, Zhi; Tai, Renzhong

    2013-04-10

    In coherent diffractive imaging (CDI) experiments, a beamstop (BS) is commonly used to extend the exposure time of the charge-coupled detector and obtain high-angle diffraction signals. However, the negative effect of a large BS is also evident, causing low-frequency signals to be missed and making CDI reconstruction unstable or causing it to fail. We performed a systematic simulation investigation of the effects of BSs on the quality of reconstructed images from both plane-wave and ptychographic CDI (PCDI). For the same imaging quality, we found that ptychography can tolerate BSs that are at least 20 times larger than those for plane-wave CDI. For PCDI, a larger overlap ratio and a smaller illumination spot can significantly increase the imaging robustness to the negative influence of BSs. Our results provide guidelines for the usage of BSs in CDI, especially in PCDI experiments, which can help to further improve the spatial resolution of PCDI. PMID:23670772

  18. Acoustic plane waves incident on an oblique clamped panel in a rectangular duct

    NASA Technical Reports Server (NTRS)

    Unz, H.; Roskam, J.

    1980-01-01

    The theory of acoustic plane waves incident on an oblique clamped panel in a rectangular duct was developed from basic theoretical concepts. The coupling theory between the elastic vibrations of the panel (plate) and the oblique incident acoustic plane wave in infinite space was considered in detail, and was used for the oblique clamped panel in the rectangular duct. The partial differential equation which governs the vibrations of the clamped panel (plate) was modified by adding to it stiffness (spring) forces and damping forces. The Transmission Loss coefficient and the Noise Reduction coefficient for oblique incidence were defined and derived in detail. The resonance frequencies excited by the free vibrations of the oblique finite clamped panel (plate) were derived and calculated in detail for the present case.

  19. Well-posedness and generalized plane waves simulations of a 2D mode conversion model

    NASA Astrophysics Data System (ADS)

    Imbert-Gérard, Lise-Marie

    2015-12-01

    Certain types of electro-magnetic waves propagating in a plasma can undergo a mode conversion process. In magnetic confinement fusion, this phenomenon is very useful to heat the plasma, since it permits to transfer the heat at or near the plasma center. This work focuses on a mathematical model of wave propagation around the mode conversion region, from both theoretical and numerical points of view. It aims at developing, for a well-posed equation, specific basis functions to study a wave mode conversion process. These basis functions, called generalized plane waves, are intrinsically based on variable coefficients. As such, they are particularly adapted to the mode conversion problem. The design of generalized plane waves for the proposed model is described in detail. Their implementation within a discontinuous Galerkin method then provides numerical simulations of the process. These first 2D simulations for this model agree with qualitative aspects studied in previous works.

  20. A nonperturbative definition of N = 4 Super Yang-Mills by the plane wave matrix model

    SciTech Connect

    Shimasaki, Shinji

    2008-11-23

    We propose a nonperturbative definition of N = 4 Super Yang-Mills(SYM). We realize N = 4 SYM on RxS{sup 3} as the theory around a vacuum of the plane wave matrix model. Our regularization preserves 16 supersymmetries and the gauge symmetry. We perform the one-loop calculation to give evidence that in the continuum limit the superconformal symmetry is restored.

  1. Simulations and cold-test results of a prototype plane wave transformer linac structure

    NASA Astrophysics Data System (ADS)

    Kumar, Arvind; Pant, K. K.; Krishnagopal, S.

    2002-03-01

    We have built a 4-cell prototype plane wave transformer (PWT) linac structure. We discuss here details of the design and fabrication of the PWT linac structure. We present results from superfish and gdfidl simulations as well as cold tests, which are in good agreement with each other. We also present detailed tolerance maps for the PWT structure. We discuss beam dynamics simulation studies performed using parmela.

  2. Theoretical calculation of plane wave speeds for alkali metals under pressure.

    NASA Technical Reports Server (NTRS)

    Eftis, J.; Macdonald, D. E.; Arkilic, G. M.

    1971-01-01

    Theoretical calculations of the variation with pressure of small amplitude plane wave speeds are performed for sodium and potassium at zero temperature. The results obtained for wave speeds associated with volume dependent second-order elastic coefficients show better agreement with experimental data than for wave speeds associated with shear dependent coefficients. This result is believed to be due to omission of the band structure correction to the strain energy density.

  3. Plane Wave Diffraction by a Finite Plate with Impedance Boundary Conditions

    PubMed Central

    Nawaz, Rab; Ayub, Muhammad; Javaid, Akmal

    2014-01-01

    In this study we have examined a plane wave diffraction problem by a finite plate having different impedance boundaries. The Fourier transforms were used to reduce the governing problem into simultaneous Wiener-Hopf equations which are then solved using the standard Wiener-Hopf procedure. Afterwards the separated and interacted fields were developed asymptotically by using inverse Fourier transform and the modified stationary phase method. Detailed graphical analysis was also made for various physical parameters we were interested in. PMID:24755624

  4. On the use of evanescent plane waves for low-frequency energy transmission across material interfaces.

    PubMed

    Woods, Daniel C; Bolton, J Stuart; Rhoads, Jeffrey F

    2015-10-01

    The transmission of airborne sound into high-impedance media is of interest in several applications. For example, sonic booms in the atmosphere may impact marine life when incident on the ocean surface, or affect the integrity of existing structures when incident on the ground. Transmission across high impedance-difference interfaces is generally limited by reflection and refraction at the surface, and by the critical angle criterion. However, spatially decaying incident waves, i.e., inhomogeneous or evanescent plane waves, may transmit energy above the critical angle, unlike homogeneous plane waves. The introduction of a decaying component to the incident trace wavenumber creates a nonzero propagating component of the transmitted normal wavenumber, so energy can be transmitted across the interface. A model of evanescent plane waves and their transmission across fluid-fluid and fluid-solid interfaces is developed here. Results are presented for both air-water and air-solid interfaces. The effects of the incident wave parameters (including the frequency, decay rate, and incidence angle) and the interfacial properties are investigated. Conditions for which there is no reflection at the air-solid interface, due to impedance matching between the incident and transmitted waves, are also considered and are found to yield substantial transmission increases over homogeneous incident waves. PMID:26520290

  5. A plane wave generation method by wave number domain point focusing.

    PubMed

    Chang, Ji-Ho; Choi, Jung-Woo; Kim, Yang-Hann

    2010-11-01

    A method for generation of a wave-field that is a plane wave is described. This method uses an array of loudspeakers phased so that the field in the wave-number domain is nearly concentrated at a point, this point being at the wave-number vector of the desired plane wave. The method described here for such a wave-number concentration makes use of an expansion in spherical harmonics, and requires a relatively small number of measurement points for a good approximate achievement of a plane wave. The measurement points are on a spherical surface surrounding the array of loudspeakers. The input signals for the individual loudspeakers can be derived without a matrix inversion or without explicit assumptions about the loudspeakers. The mathematical development involves spherical harmonics and three-dimensional Fourier transforms. Some numerical examples are given, with various assumptions concerning the nature of the loudspeakers, that support the premise that the method described in the present paper may be useful in applications. PMID:21110571

  6. Pseudopotentials for Excited States of Hydrogen: A Vivid Illustration of Limitations to the Use of Pseudopotential Results.

    ERIC Educational Resources Information Center

    Goodfriend, P. L.

    1979-01-01

    It is shown that exact pseudopotentials for excited states of hydrogen atoms can be derived. A very simple, novel application of pseudopotential method which displays vividly some of its limitations is presented. (Author/GA)

  7. Propagation of plane waves in a rotating transversely isotropic two temperature generalized thermoelastic solid half-space with voids

    NASA Astrophysics Data System (ADS)

    Bijarnia, R.; Singh, B.

    2016-05-01

    The paper is concerned with the propagation of plane waves in a transversely isotropic two temperature generalized thermoelastic solid half-space with voids and rotation. The governing equations are modified in the context of Lord and Shulman theory of generalized thermoelasticity and solved to show the existence of four plane waves in the x - z plane. Reflection of these plane waves from thermally insulated stress free surface is also studied to obtain a system of four non-homogeneous equations. For numerical computations of speed and reflection coefficients, a particular material is modelled as transversely isotropic generalized thermoelastic solid half-space. The speeds of plane waves are computed against the angle of propagation to observe the effects of two temperature and rotation. Reflection coefficients of various reflected waves are also computed against the angle of incidence to observe the effects of various parameters.

  8. Pseudopotentials for an ultracold dipolar gas

    NASA Astrophysics Data System (ADS)

    Whitehead, T. M.; Conduit, G. J.

    2016-02-01

    A gas of ultracold molecules interacting via the long-range dipolar potential offers a highly controlled environment in which to study strongly correlated phases. However, at particle coalescence the divergent 1 /r3 dipolar potential and associated pathological wave function hinder computational analysis. For a dipolar gas constrained to two dimensions we overcome these numerical difficulties by proposing a pseudopotential that is explicitly smooth at particle coalescence, resulting in a 2000-times speedup in diffusion Monte Carlo calculations. The pseudopotential delivers the scattering phase shifts of the dipolar interaction with an accuracy of 10-5 and predicts the energy of a dipolar gas to an accuracy of 10-4EF in a diffusion Monte Carlo calculation.

  9. Electronic levels and electrical response of periodic molecular structures from plane-wave orbital-dependent calculations

    NASA Astrophysics Data System (ADS)

    Li, Yanli; Dabo, Ismaila

    2011-10-01

    Plane-wave electronic-structure predictions based upon orbital-dependent density-functional theory (OD-DFT) approximations, such as hybrid density-functional methods and self-interaction density-functional corrections, are severely affected by computational inaccuracies in evaluating electron interactions in the plane-wave representation. These errors arise from divergence singularities in the plane-wave summation of electrostatic and exchange interaction contributions. Auxiliary-function corrections are reciprocal-space countercharge corrections that cancel plane-wave singularities through the addition of an auxiliary function to the point-charge electrostatic kernel that enters into the expression of interaction terms. At variance with real-space countercharge corrections that are employed in the context of density-functional theory (DFT), reciprocal-space corrections are computationally inexpensive, making them suited to more demanding OD-DFT calculations. Nevertheless, there exists much freedom in the choice of auxiliary functions and various definitions result in different levels of performance in eliminating plane-wave inaccuracies. In this work we derive exact point-charge auxiliary functions for the description of molecular structures of arbitrary translational symmetry, including the yet unaddressed one-dimensional case. In addition, we provide a critical assessment of different reciprocal-space countercharge corrections and demonstrate the improved accuracy of point-charge auxiliary functions in predicting the electronic levels and electrical response of conjugated polymers from plane-wave OD-DFT calculations.

  10. Love wave tomography in southern Africa from a two-plane-wave inversion method

    NASA Astrophysics Data System (ADS)

    Li, Aibing; Li, Lun

    2015-08-01

    Array measurements of surface wave phase velocity can be biased by multipath arrivals. A two-plane-wave (TPW) inversion method, in which the incoming wavefield is represented by the interference of two plane waves, is able to account for the multipath effect and solve for laterally varying phase velocity. Despite broad applications of the TPW method, its usage has been limited to Rayleigh waves. In this study, we have modified the TPW approach and applied it to Love waves. Main modifications include decomposing Love wave amplitude on the transverse component to x and y components in a local Cartesian system for each earthquake and using both components in the inversion. Such decomposition is also applied to the two plane waves to predict the incoming wavefield of an earthquake. We utilize fundamental mode Love wave data recorded at 85 broad-band stations from 69 distant earthquakes and solved for phase velocity in nine frequency bands with centre periods ranging from 34 to 100 s. The average phase velocity in southern Africa increases from 4.30 km s-1 at 34 s to 4.87 km s-1 at 100 s. Compared with predicted Love wave phase velocities from the published 1-D SV velocity model and radial anisotropy model in the region, these values are compatible from 34 to 50 s and slightly higher beyond 50 s, indicating radial anisotropy of VSH > VSV in the shallow upper mantle. A high Love wave velocity anomaly is imaged in the central and southern Kaapvaal craton at all periods, reflecting a cold and depleted cratonic lithosphere. A low velocity anomaly appears in the Bushveld Complex from 34 to 50 s, which can be interpreted as being caused by high iron content from an intracratonic magma intrusion. The modified TPW method provides a new way to measure Love wave phase velocities in a regional array, which are essential in developing radial anisotropic models and understanding the Earth structure in the crust and upper mantle.

  11. Plane wave transport method for low symmetry lattices and its application

    SciTech Connect

    Srivastava, Manoj K; Wang, Yan; Zhang, Xiaoguang; Nicholson, Don M; Cheng, Hai-Ping

    2012-01-01

    The existing first-principles plane wave transport method implementation \\cite{,choi-1,qe} has the limitation that it only allows transport directions along lattice vectors perpendicular to the basal plane formed by two other lattice vectors. We generalize the algorithm to low symmetry, nonorthogonal lattices thus allowing solution to problems in which the transport direction is not along any lattice vectors. As an application, we calculate the transmission and reflection coefficients, and determine interface resistance of various grain boundaries in crystalline copper.

  12. Relativistic Two-Boson System in Presence of Electromagnetic Plane Wave

    NASA Astrophysics Data System (ADS)

    Droz-Vincent, Ph.

    2016-09-01

    The relativistic two-body problem is considered for spinless particles subject to an external electromagnetic field. When this field is made of the monochromatic superposition of two counter-propagating plane waves (and provided the mutual interaction between particles is known), it is possible to write down explicitly a pair of coupled wave equations (corresponding to a pair of mass-shell constraints) which takes into account also the field contribution. These equations are manifestly covariant; constants of the motion are exhibited, so one ends up with a reduced problem involving five degrees of freedom.

  13. Extracting chemical information from plane wave calculations by a 3D 'fuzzy atoms' analysis

    NASA Astrophysics Data System (ADS)

    Bakó, I.; Stirling, A.; Seitsonen, A. P.; Mayer, I.

    2013-03-01

    Bond order and valence indices have been calculated by the method of the three-dimensional 'fuzzy atoms' analysis, using the numerical molecular orbitals obtained from plane wave DFT calculations, i.e., without introducing any external atom-centered functions. Weight functions of both Hirshfeld and Becke types have been applied. The results are rather close to the similar 'fuzzy atoms' ones obtained by using atom-centered basis sets and agree well with the chemical expectations, stressing the power of the genuine chemical concepts.

  14. Computational Electromagnetic Dosimetry of a Human Body in a Vehicle for Plane-wave Exposure

    NASA Astrophysics Data System (ADS)

    Hirata, Akimasa

    The present study investigated whole-body specific absorption rate of a human body in a vehicle cabin for plane-wave exposure. The rationale for this investigation is that fields in the vehicle without human have been enhanced in particular frequency region due to standing waves, and thus power absorption in the human body is of interest. For our computational results, the whole-body average specific absorption rate of the human in the vehicle was found to be 60% smaller than that in free space. The reason for this upset is that the standing wave over the vehicle cabin was suppressed due to power absorption by the human.

  15. Tight focusing of plane waves from micro-fabricated spherical mirrors.

    PubMed

    Goldwin, J; Hinds, E A

    2008-10-27

    We derive a formula for the light field of a monochromatic plane wave that is truncated and reflected by a spherical mirror. Within the scalar field approximation, our formula is valid even for deep mirrors, where the aperture radius approaches the radius of curvature. We apply this result to micro-fabricated mirrors whose size scales are in the range of tens to hundreds of wavelengths, and show that sub-wavelength focusing (full-width at half-maximum intensity) can be achieved. This opens up the possibility of scalable arrays of tightly focused optical dipole traps without the need for high-performance optical systems. PMID:18958062

  16. Quantum mechanics of lattice gas automata: One-particle plane waves and potentials

    SciTech Connect

    Meyer, D.A.

    1997-05-01

    Classical lattice gas automata effectively simulate physical processes, such as diffusion and fluid flow (in certain parameter regimes), despite their simplicity at the microscale. Motivated by current interest in quantum computation we recently defined {ital quantum} lattice gas automata; in this paper we initiate a project to analyze which physical processes these models can effectively simulate. Studying the single particle sector of a one-dimensional quantum lattice gas we find discrete analogs of plane waves and wave packets, and then investigate their behavior in the presence of inhomogeneous potentials. {copyright} {ital 1997} {ital The American Physical Society}

  17. A full 3D plane-wave-expansion model for 1-3 piezoelectric composite structures.

    PubMed

    Wilm, Mikaël; Ballandras, Sylvain; Laude, Vincent; Pastureaud, Thomas

    2002-09-01

    The plane-wave-expansion (PWE) approach dedicated to the simulation of periodic devices has been extended to 1-3 connectivity piezoelectric composite structures. The case of simple but actual piezoelectric composite structures is addressed, taking piezoelectricity, acoustic losses, and electrical excitation conditions rigorously into account. The material distribution is represented by using a bidimensional Fourier series and the electromechanical response is simulated using a Bloch-Floquet expansion together with the Fahmy-Adler formulation of the Christoffel problem. Application of the model to 1-3 connectivity piezoelectric composites is reported and compared to previously published analyses of this problem. PMID:12243182

  18. Hybrid nonlocality distillation

    NASA Astrophysics Data System (ADS)

    Wu, Keng-Shuo; Hsu, Li-Yi

    2013-08-01

    In this Letter, we introduce the notion of hybrid nonlocality distillation, in which different nonlocal boxes are exploited for nonlocality distillation. Here, we quantify the nonlocality using the violation degree of either the Clauser-Horne-Shimony-Holt inequality or the I3322 inequality. Our study shows that hybrid nonlocality distillation can outperform nonlocality distillation using copies of single nonlocal boxes. In particular, more nonlocality of undistillable boxes can be activated with the assistance of distillable boxes. Equivalently, distillable boxes can achieve more nonlocality with the assistance of undistillable boxes.

  19. Pseudopotential treatment of two body interactions

    NASA Astrophysics Data System (ADS)

    Kanjilal, Krittika

    Ultracold atomic gases have been of great theoretical and experimental interest in the last two decades. In these systems, the de Broglie wavelength of the particles is much greater than the two body van der Waals length. As a result, the details of the two body interaction potential are irrelevant for a large number of applications and the realistic two body interaction potential can be replaced by a simple finite range or zero range model potential that reproduces the scattering quantities of the full interaction potential. This thesis develops zero range pseudopotentials and applies them to trapped two-particle systems. Ultracold gases loaded into optical lattices can be used to realize two particle systems under approximately harmonic confinement. We use pseudopotentials to obtain the eigenspectrum of two particles under external harmonic confinement semi-analytically. Advancements in trapping technology have resulted in the realization of low-dimensional systems. We develop pseudopotentials to treat two body interactions in one and two dimensions. We also elaborate on the physics that is unique to one and two dimensional systems. Feshbach resonances allow for the tunability of the effective two body interaction strength in the presence of a magnetic field. To model Feshbach resonances in two and three dimensions we develop coupled two channel zero range potentials. Dipole-dipole interactions in Chromium and polar molecules have been the subject of a lot of recent research. Unlike the interactions between two alkali atoms, these interactions are long range and anisotropic. We explore the scattering properties of two aligned dipoles using a simple shape dependent model potential. To understand a system two aligned dipoles under confinement, we develop a pseudopotential treatment for cylindrically symmetric interaction potentials under cylindrically symmetric harmonic confinement. This pseudopotential can be used to model any cylindrically symmetric interaction

  20. Fast solution of elliptic partial differential equations using linear combinations of plane waves.

    PubMed

    Pérez-Jordá, José M

    2016-02-01

    Given an arbitrary elliptic partial differential equation (PDE), a procedure for obtaining its solution is proposed based on the method of Ritz: the solution is written as a linear combination of plane waves and the coefficients are obtained by variational minimization. The PDE to be solved is cast as a system of linear equations Ax=b, where the matrix A is not sparse, which prevents the straightforward application of standard iterative methods in order to solve it. This sparseness problem can be circumvented by means of a recursive bisection approach based on the fast Fourier transform, which makes it possible to implement fast versions of some stationary iterative methods (such as Gauss-Seidel) consuming O(NlogN) memory and executing an iteration in O(Nlog(2)N) time, N being the number of plane waves used. In a similar way, fast versions of Krylov subspace methods and multigrid methods can also be implemented. These procedures are tested on Poisson's equation expressed in adaptive coordinates. It is found that the best results are obtained with the GMRES method using a multigrid preconditioner with Gauss-Seidel relaxation steps. PMID:26986436

  1. Plane Wave Imaging for ultrasonic non-destructive testing: Generalization to multimodal imaging.

    PubMed

    Le Jeune, Léonard; Robert, Sébastien; Lopez Villaverde, Eduardo; Prada, Claire

    2016-01-01

    This paper describes a new ultrasonic array imaging method for Non-Destructive Testing (NDT) which is derived from the medical Plane Wave Imaging (PWI) technique. The objective is to perform fast ultrasound imaging with high image quality. The approach is to transmit plane waves at several angles and to record the back-scattered signals with all the array elements. Focusing in receive is then achieved by coherent summations of the signals in every point of a region of interest. The medical PWI is generalized to immersion setups where water acts as a coupling medium and to multimodal (direct, half-skip modes) imaging in order to detect different types of defects (inclusions, porosities, cracks). This method is compared to the Total Focusing Method (TFM) which is the reference imaging technique in NDT. First, the two post-processing algorithms are described. Then experimental results with the array probe either in contact or in immersion are presented. A good agreement between the TFM and the PWI is observed, with three to ten times less transmissions required for the PWI. PMID:26323547

  2. Plane wave method for elastic wave scattering by a heterogeneous fracture

    SciTech Connect

    Nakagawa, Seiji; Nihei, Kurt T.; Myer, Larry R.

    2003-02-21

    A plane-wave method for computing the three-dimensional scattering of propagating elastic waves by a planar fracture with heterogeneous fracture compliance distribution is presented. This method is based upon the spatial Fourier transform of the seismic displacement-discontinuity (SDD) boundary conditions (also called linear slip interface conditions), and therefore, called the wave-number-domain SDD method (wd-SDD method). The resulting boundary conditions explicitly show the coupling between plane waves with an incident wave number component (specular component) and scattered waves which do not follow Snell's law (nonspecular components) if the fracture is viewed as a planar boundary. For a spatially periodic fracture compliance distribution, these boundary conditions can be cast into a linear system of equations that can be solved for the amplitudes of individual wave modes and wave numbers. We demonstrate the developed technique for a simulated fracture with a stochastic (correlated) surface compliance distribution. Low- and high-frequency solutions of the method are also compared to the predictions by low-order Born series in the weak and strong scattering limit.

  3. 2, Pulse-mode expansions and refractive indices in plane-wave propagation

    SciTech Connect

    Shore, B.W.; Sacks, R.; Karr, T.; Morris, J.; Paisner, J.A.

    1987-06-20

    This memo presents basic background theory for treating simultaneous propagation of electromagnetic pulses of various colors, directed along a common ray, through a molecular vapor. The memo discusses some techniques for expanding the positive frequency part of the transverse electric field into pulse modes, characterized by carrier frequencies within a modulated envelope. We discuss, in the approximation of plane waves with slowly varying envelopes, a set of uncoupled envelope equations in which a polarization mode-envelope acts as a source for an electric-field envelope. These equations, when taken with a prescription for the polarization field, are the basic equations of plane-wave pulse propagation through a molecular medium. We discuss two ways of treating dispersive media, one based upon expansions in the frequency domain and the other based in the time domain. In both cases we find envelope equations that involve group velocities. This memo represents a portion of a more extensive treatment of propagation to be presented separately. Many of the equations presented here have been described in various books and articles. They are collected and described here as a summary and review of contemporary theory.

  4. Fast solution of elliptic partial differential equations using linear combinations of plane waves

    NASA Astrophysics Data System (ADS)

    Pérez-Jordá, José M.

    2016-02-01

    Given an arbitrary elliptic partial differential equation (PDE), a procedure for obtaining its solution is proposed based on the method of Ritz: the solution is written as a linear combination of plane waves and the coefficients are obtained by variational minimization. The PDE to be solved is cast as a system of linear equations A x =b , where the matrix A is not sparse, which prevents the straightforward application of standard iterative methods in order to solve it. This sparseness problem can be circumvented by means of a recursive bisection approach based on the fast Fourier transform, which makes it possible to implement fast versions of some stationary iterative methods (such as Gauss-Seidel) consuming O (N logN ) memory and executing an iteration in O (N log2N ) time, N being the number of plane waves used. In a similar way, fast versions of Krylov subspace methods and multigrid methods can also be implemented. These procedures are tested on Poisson's equation expressed in adaptive coordinates. It is found that the best results are obtained with the GMRES method using a multigrid preconditioner with Gauss-Seidel relaxation steps.

  5. Radiation of de-excited electrons at large times in a strong electromagnetic plane wave

    NASA Astrophysics Data System (ADS)

    Kazinski, P. O.

    2013-12-01

    The late time asymptotics of the physical solutions to the Lorentz-Dirac equation in the electromagnetic external fields of simple configurations-the constant homogeneous field, the linearly polarized plane wave (in particular, the constant uniform crossed field), and the circularly polarized plane wave-are found. The solutions to the Landau-Lifshitz equation for the external electromagnetic fields admitting a two-parametric symmetry group, which include as a particular case the above mentioned field configurations, are obtained. Some general properties of the total radiation power of a charged particle are established. In particular, for a circularly polarized wave and constant uniform crossed fields, the total radiation power in the asymptotic regime is independent of the charge and the external field strength, when expressed in terms of the proper-time, and equals a half the rest energy of a charged particle divided by its proper-time. The spectral densities of the radiation power formed on the late time asymptotics are derived for a charged particle moving in the external electromagnetic fields of the simple configurations pointed above. This provides a simple method to verify experimentally that the charged particle has reached the asymptotic regime.

  6. Whole body exposure at 2100 MHz induced by plane wave of random incidences in a population

    NASA Astrophysics Data System (ADS)

    Conil, Emmanuelle; Hadjem, Abdelhamid; El Habachi, Aimad; Wiart, J.

    2010-11-01

    In this article, the whole body exposure induced by plane wave coming from a random direction of arrival is analyzed at 2100 MHz. This work completes previous studies on the influence of different parameters on the whole body exposure (such as morphology, frequency or usage in near field). The Visible Human phantom has been used to build a surrogate model to predict the whole body exposure depending on the highlighted surface of the phantom and on the direction of arrival of the incident plane wave. For the Visible Human, the error on the whole body averaged Specific Absorption Rate (SAR) is on average 4%. The surrogate model is applied to other 3D anthropomorphic phantoms for a frontal incidence with an averaged error of 10%. The great interest of the surrogate model is the possibility to apply a Monte Carlo process to assess probability distribution function of a population. A recent French anthropometric database of more than 3500 adults is used to build the probability distribution function of the whole body SAR for a random direction of arrival.

  7. Scaled plane-wave Born cross sections for atoms and molecules

    NASA Astrophysics Data System (ADS)

    Tanaka, H.; Brunger, M. J.; Campbell, L.; Kato, H.; Hoshino, M.; Rau, A. R. P.

    2016-04-01

    Integral cross sections for optically allowed electronic-state excitations of atoms and molecules by electron impact, by applying scaled plane-wave Born models, are reviewed. Over 40 years ago, Inokuti presented an influential review of charged-particle scattering, based on the theory pioneered by Bethe forty years earlier, which emphasized the importance of reliable cross-section data from low eV energies to high keV energies that are needed in many areas of radiation science with applications to astronomy, plasmas, and medicine. Yet, with a couple of possible exceptions, most computational methods in electron-atom scattering do not, in general, overlap each other's validity range in the region from threshold up to 300 eV and, in particular, in the intermediate region from 30 to 300 eV. This is even more so for electron-molecule scattering. In fact this entire energy range is of great importance and, to bridge the gap between the two regions of low and high energy, scaled plane-wave Born models were developed to provide reliable, comprehensive, and absolute integral cross sections, first for ionization by Kim and Rudd and then extended to optically allowed electronic-state excitation by Kim. These and other scaling models in a broad, general application to electron scattering from atoms and molecules, their theoretical basis, and their results for cross sections along with comparison to experimental measurements are reviewed. Where possible, these data are also compared to results from other computational approaches.

  8. Stolt’s f-k migration for plane wave ultrasound imaging

    PubMed Central

    Garcia, Damien; Le Tarnec, Louis; Muth, Stéphan; Montagnon, Emmanuel; Porée, Jonathan; Cloutier, Guy

    2013-01-01

    Ultrafast ultrasound is an emerging modality that offers new perspectives and opportunities in medical imaging. Plane wave imaging (PWI) allows one to attain very high frame rates by transmission of planar ultrasound wavefronts. As a plane wave reaches a given scatterer, the latter becomes a secondary source emitting upward spherical waves and creating a diffraction hyperbola in the received RF (radio-frequency) signals. To produce an image of the scatterers, all the hyperbolas must be migrated back to their apexes. In order to perform beamforming of plane wave echo RFs and return high-quality images at high frame rates, we propose a new migration method carried out in the frequency-wavenumber (f-k) domain. The f-k migration for PWI has been adapted from the Stolt migration for seismic imaging. This migration technique is based on the exploding reflector model (ERM), which consists in assuming that all the scatterers explode in concert and become acoustic sources. The classical ERM model, however, is not appropriate for PWI. We showed that the ERM can be made suitable for PWI by a spatial transformation of the hyperbolic traces present in the RF data. In vitro experiments were performed to sketch the advantages of PWI with Stolt’s f-k migration over the conventional delay-and-sum (DAS) approach. The Stolt’s f-k migration was also compared with the Fourier-based method developed by J-Y Lu. Our findings show that multi-angle compounded f-k migrated images are of quality similar to those obtained with a state-of-the-art dynamic focusing mode. This remained true even with a very small number of steering angles thus ensuring a highly competitive frame rate. In addition, the new FFT-based f-k migration provides comparable or better contrast-to-noise ratio and lateral resolution than the Lu’s and DAS migration schemes. Matlab codes of the Stolt’s f-k migration for PWI are provided. PMID:24626107

  9. Cavity-based linear polarizer immune to the polarization direction of an incident plane wave.

    PubMed

    Wang, Jiang; Shen, Zhongxiang; Gao, Xiang; Wu, Wen

    2016-01-15

    We herein report a linear polarizer based on a 2D array of substrate integrated waveguide cavities, which can convert an arbitrary linearly polarized (LP) incident wave into an outgoing LP wave in a specified polarization direction with constant transmittance. Two orthogonal slots etched on the front surface of the cavity are utilized to couple a wave of arbitrary polarization into the cavity, while another slot on the back side helps to couple the field out along a desired polarization direction. Microwave experiments are performed as a proof of concept. The proposed polarizer exhibits very good performance with stable transmittance as 50% and a polarization extinction ratio over 45 dB. The new polarizer is potentially useful in novel polarization-selective devices that are immune to the polarization direction of an incident plane wave. PMID:26766730

  10. PARTICLE DISPLACEMENTS ON THE WALL OF A BOREHOLE FROM INCIDENT PLANE WAVES.

    USGS Publications Warehouse

    Lee, M.W.

    1987-01-01

    Particle displacements from incident plane waves at the wall of a fluid-filled borehole are formulated by applying the seismic reciprocity theorem to far-field displacement fields. Such displacement fields are due to point forces acting on a fluid-filled borehole under the assumption of long wavelengths. The displacement fields are analyzed to examine the effect of the borehole on seismic wave propagation, particularly for vertical seismic profiling (VSP) measurements. When the shortest wavelength of interest is approximately 25 times longer than the borehole's diameter, the scattered displacements are proportional to the first power of incident frequency and borehole diameter. When the shortest wavelength of interest is about 40 times longer than the borehole's diameter, borehole effects on VSP measurements using a wall-locking geophone are negligible.

  11. Pulsed plane wave analytic solutions for generic shapes and the validation of Maxwell's equations solvers

    NASA Technical Reports Server (NTRS)

    Yarrow, Maurice; Vastano, John A.; Lomax, Harvard

    1992-01-01

    Generic shapes are subjected to pulsed plane waves of arbitrary shape. The resulting scattered electromagnetic fields are determined analytically. These fields are then computed efficiently at field locations for which numerically determined EM fields are required. Of particular interest are the pulsed waveform shapes typically utilized by radar systems. The results can be used to validate the accuracy of finite difference time domain Maxwell's equations solvers. A two-dimensional solver which is second- and fourth-order accurate in space and fourth-order accurate in time is examined. Dielectric media properties are modeled by a ramping technique which simplifies the associated gridding of body shapes. The attributes of the ramping technique are evaluated by comparison with the analytic solutions.

  12. Nonequilibrium dynamics of strings in time-dependent plane wave backgrounds

    NASA Astrophysics Data System (ADS)

    Nardi, R.; Vancea, I. V.

    2012-06-01

    We formulate and study the nonequilibrium dynamics of strings near the singularity of the time-dependent plane wave background in the framework of the Nonequilibrium Thermo Field Dynamics (NETFD). In particular, we construct the Hilbert space of the thermal string oscillators at nonequilibrium and generalize the NETFD to describe the coordinates of the center of mass of the thermal string. The equations of motion of the thermal fields and the Hamiltonian are derived. Due to the time-dependence of the oscillator frequencies, a counterterm is present in the Hamiltonian. This counterterm determines the correlation functions in a perturbative fashion. We compute the two point correlation function of the thermal string at zero order in the power expansion.

  13. In-plane vibrations of a rectangular plate: Plane wave expansion modelling and experiment

    NASA Astrophysics Data System (ADS)

    Arreola-Lucas, A.; Franco-Villafañe, J. A.; Báez, G.; Méndez-Sánchez, R. A.

    2015-04-01

    Theoretical and experimental results for in-plane vibrations of a uniform rectangular plate with free boundary conditions are obtained. The experimental setup uses electromagnetic-acoustic transducers and a vector network analyzer. The theoretical calculations were obtained using the plane wave expansion method applied to the in-plane thin plate vibration theory. The agreement between theory and experiment is excellent for the lower 95 modes covering a very wide frequency range from DC to 20 kHz. Some measured normal-mode wave amplitudes were compared with the theoretical predictions; very good agreement was observed. The excellent agreement of the classical theory of in-plane vibrations confirms its reliability up to very high frequencies

  14. Exact solution to plane-wave scattering by an ideal "left-handed" wedge

    NASA Astrophysics Data System (ADS)

    Monzon, Cesar; Forester, Donald W.; Smith, Douglas; Loschialpo, Peter

    2006-02-01

    An exact analytical solution to the problem of plane-wave diffraction by a penetrable left-handed medium (LHM) epsilon=µ=-1 wedge of arbitrary angle (subject to valid physical constraints) is presented. Standard analysis involving discontinuous angular eigenfunctions and even/odd symmetry decomposition resulted in a discrete spectrum leading to a series solution resembling the traditional perfect electric conductor wedge solution but exhibiting the expected negative refraction phenomenology. Numerical results are presented, some of which seemed paradoxical but are explainable by classical means. A new type of illusory edge radiation is observed and explained. Also, a novel edge-launched interface standing wave is observed on the directly illuminated side. The exact analytical solution is verified by comparison with finite-difference time-domain simulation on causal LHM materials.

  15. A Fortran code for the scattering of EM plane waves by two cylinders at normal incidence

    NASA Astrophysics Data System (ADS)

    Yousif, Hashim A.; Köhler, Sigurd

    1990-06-01

    A Fortran code for the scattering of electromagnetic plane waves from two infinitely long penetrable cylinders with circular cross sections at normal incidence is presented. The radius and the refractive index of each cylinder are arbitrary as well as the separation of the cylinders. The program calculates the Mueller scattering matrix elements ( Sij), various cross sections, and the square of the scattered amplitutes. All computations are done by using single precision arithmetic procedures. The code can be run on many different computers with minor modifications. The restrictions for each of the supported environments and the range of input parameters (size parameter, refractive index, and the separation of the cylinders) are discussed. To our knowledge, such a code has not been presented before.

  16. Dual series solution to the scattering of plane waves from a binary conducting grating

    NASA Astrophysics Data System (ADS)

    Kok, Yon-Lin; Gallagher, Neal C., Jr.; Ziolkowski, Richard W.

    1989-07-01

    The problem of EM-wave scattering from a perfectly conducting grating with a periodic groove structure is considered. A system of dual series equations is derived by enforcing the EM boundary conditions; this leads to a boundary-value problem that is solved. The mathematics leading to the solution of the dual series system is derived from the equivalent Riemann-Hilbert problem in complex-variable theory and its solution. The solution converges absolutely and makes it possible to obtain analytical results, even where other numerical methods, such as the mode-matching method and spectral iteration methods, are numerically unstable. Consideration is also given to the relative phase values for the diffracted fields. The phase differences between the scattered fields resulting from two orthogonally polarized incident plane waves can be explicitly determined for any incidence angles and for any groove dimensions.

  17. A set of verification test cases for Eiger : plane wave scattering from a sphere.

    SciTech Connect

    Jorgenson, Roy Eberhardt; Kotulski, Joseph Daniel

    2004-10-01

    This report discusses a set of verification test cases for the frequency-domain, boundary-element, electromagnetics code Eiger based on the analytical solution of plane wave scattering from a sphere. Three cases will be considered: when the sphere is made of perfect electric conductor, when the sphere is made of lossless dielectric and when the sphere is made of lossy dielectric. We outline the procedures that must be followed in order to carefully compare the numerical solution to the analytical solution. We define an error criterion and demonstrate convergence behavior for both the analytical and numerical cases. These problems test the code's ability to calculate the surface current density and secondary quantities, such as near fields and far fields.

  18. Scattering of an electromagnetic plane wave by a Luneburg lens. II. Wave theory.

    PubMed

    Lock, James A

    2008-12-01

    The partial wave scattering and interior amplitudes for the interaction of an electromagnetic plane wave with a modified Luneburg lens are derived in terms of the exterior and interior radial functions of the scalar radiation potentials evaluated at the lens surface. A Debye series decomposition of these amplitudes is also performed and discussed. The effective potential inside the lens for the transverse electric polarization is qualitatively examined, and the approximate lens size parameters of morphology-dependent resonances are determined. Finally, the physical optics model is used to calculate wave scattering in the vicinity of the ray theory orbiting condition in order to demonstrate the smoothing of ray theory discontinuities by the diffraction of scattered waves. PMID:19037389

  19. LOBSTER: A tool to extract chemical bonding from plane-wave based DFT.

    PubMed

    Maintz, Stefan; Deringer, Volker L; Tchougréeff, Andrei L; Dronskowski, Richard

    2016-04-30

    The computer program LOBSTER (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction) enables chemical-bonding analysis based on periodic plane-wave (PAW) density-functional theory (DFT) output and is applicable to a wide range of first-principles simulations in solid-state and materials chemistry. LOBSTER incorporates analytic projection routines described previously in this very journal [J. Comput. Chem. 2013, 34, 2557] and offers improved functionality. It calculates, among others, atom-projected densities of states (pDOS), projected crystal orbital Hamilton population (pCOHP) curves, and the recently introduced bond-weighted distribution function (BWDF). The software is offered free-of-charge for non-commercial research. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. PMID:26914535

  20. Two-loop partition function in the planar plane-wave matrix model

    NASA Astrophysics Data System (ADS)

    Spradlin, Marcus; Van Raamsdonk, Mark; Volovich, Anastasia

    2004-12-01

    We perform two independent calculations of the two-loop partition function for the 't Hooft large N limit of the plane-wave matrix model, conjectured to be dual to the decoupled little string theory of a single spherical type IIA NS5-brane. The first is via a direct two-loop path-integral calculation in the matrix model, while the second employs the one-loop dilatation operator of four-dimensional N = 4 Yang-Mills theory truncated to the SU (2 | 4) subsector. We find precise agreement between the results of the two calculations. Various polynomials appearing in the result have rather special properties, possibly related to the large symmetry algebra of the theory or to integrability.

  1. Plane wave scattering by a thick lossy dielectric half-plane

    NASA Astrophysics Data System (ADS)

    Uchida, K.; Aoki, K.

    A solution is obtained for the scattering of a plane wave by a lossy, thick, dielectric half-plane, with a view to applications for calculating the TV electromagnetic wave scattering by a tall building made of concrete. The problem is analytically framed in terms of the incident and scattered electric fields, assuming the polarization in each case to be invariant. Boundary conditions are defined within which Fourier components of the scattered field are calculated. The far-fields were analyzed employing the saddle-point method. Numerical examples for 100 MHz broadcasts are presented, demonstrating a good agreement in the illuminated region between calculations for a lossy dielectric and a perfectly conducting half plane.

  2. Photoacoustic clutter reduction by inversion of a linear scatter model using plane wave ultrasound measurements.

    PubMed

    Schwab, Hans-Martin; Beckmann, Martin F; Schmitz, Georg

    2016-04-01

    Photoacoustic imaging aims to visualize light absorption properties of biological tissue by receiving a sound wave that is generated inside the observed object as a result of the photoacoustic effect. In clinical applications, the strong light absorption in human skin is a major problem. When high amplitude photoacoustic waves that originate from skin absorption propagate into the tissue, they are reflected back by acoustical scatterers and the reflections contribute to the received signal. The artifacts associated with these reflected waves are referred to as clutter or skin echo and limit the applicability of photoacoustic imaging for medical applications severely. This study seeks to exploit the acoustic tissue information gained by plane wave ultrasound measurements with a linear array in order to correct for reflections in the photoacoustic image. By deriving a theory for clutter waves in k-space and a matching inversion approach, photoacoustic measurements compensated for clutter are shown to be recovered. PMID:27446669

  3. Plane-wave transport method for low-symmetry lattices and its application

    NASA Astrophysics Data System (ADS)

    Srivastava, Manoj K.; Wang, Yan; Zhang, X.-G.; Nicholson, D. M. C.; Cheng, Hai-Ping

    2012-08-01

    The existing first-principles plane-wave transport method implementation [Choi and Ihm, Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.59.2267 59, 2267 (1999); Giannozzi , J. Phys.: Condens. MatterJCOMEL0953-898410.1088/0953-8984/21/39/395502 21, 395502 (2009)] has the limitation that it only allows transport directions along lattice vectors perpendicular to the basal plane formed by two other lattice vectors. We generalize the algorithm to low-symmetry, nonorthogonal lattices thus allowing solution to problems in which the transport direction is not along any lattice vectors. As an application, we calculate the transmission and reflection coefficients, and determine interface resistivity of various grain boundaries in crystalline copper.

  4. Combined real-time ultrasound plane wave compounding and linear array optoacoustics

    NASA Astrophysics Data System (ADS)

    Fournelle, Marc; Bost, Wolfgang; Tretbar, Steffen

    2015-07-01

    In optoacoustic imaging, the high optical contrast between different tissue types is combined with the high resolution and low scattering of ultrasound. Using adapted reconstruction algorithms, images of the distribution of light absorption in tissue can be obtained. Such as in any emerging modality, there is limited experience regarding the interpretation of optoacoustic images. For this reason, we developed a flexible hardware platform combining ultrasound imaging with optoacoustics. The system is based on the software processing of channel data and different types of reconstruction algorithms are implemented. It combines optoacoustic imaging based on linear arrays for detection with plane wave compounding ultrasound. Our system further includes a custom made probe based on a 7,5 MHz array, custom made fibre bundles for targeted light delivery and an acoustic coupling pad. The system was characterized on phantoms and first in-vivo datasets from subcutaneous vasculature were acquired.

  5. Photoacoustic clutter reduction by inversion of a linear scatter model using plane wave ultrasound measurements

    PubMed Central

    Schwab, Hans-Martin; Beckmann, Martin F.; Schmitz, Georg

    2016-01-01

    Photoacoustic imaging aims to visualize light absorption properties of biological tissue by receiving a sound wave that is generated inside the observed object as a result of the photoacoustic effect. In clinical applications, the strong light absorption in human skin is a major problem. When high amplitude photoacoustic waves that originate from skin absorption propagate into the tissue, they are reflected back by acoustical scatterers and the reflections contribute to the received signal. The artifacts associated with these reflected waves are referred to as clutter or skin echo and limit the applicability of photoacoustic imaging for medical applications severely. This study seeks to exploit the acoustic tissue information gained by plane wave ultrasound measurements with a linear array in order to correct for reflections in the photoacoustic image. By deriving a theory for clutter waves in k-space and a matching inversion approach, photoacoustic measurements compensated for clutter are shown to be recovered. PMID:27446669

  6. Microwave radiation force and torque on a disk resonator excited by a circularly polarized plane wave

    NASA Astrophysics Data System (ADS)

    Makarov, S.; Kulkarni, S.

    2004-05-01

    A numerical simulation method [S. Makarov and S. Kulkarni, Appl. Phys. Lett. 84, 1600 (2004)] is used in order to determine the radiation force and radiation torque on a parallel-plate disk resonator, whose size is comparable to wavelength. The method is based on the MOM solution of the electric-field integral equation, accurate calculation of the near field, and removal of the self-interaction terms responsible for the pinch effect. The local force/torque distribution at the normal incidence of a circularly polarized plane wave is found. It is observed that, at the resonance, the individual disks are subject to unexpectedly large local force densities, despite the fact that the net radiation force on the resonator remains very small. On the other hand, the total axial torque on the disk resonator also increases at the resonance.

  7. Scalar problem of plane wave diffraction by a system of nonintersecting screens and inhomogeneous bodies

    NASA Astrophysics Data System (ADS)

    Medvedik, M. Yu.; Smirnov, Yu. G.; Tsupak, A. A.

    2014-08-01

    The scalar problem of plane wave diffraction by a system of bodies and infinitely thin screens is considered in a quasi-classical formulation. The solution is sought in the classical sense but is defined not in the entire space ℝ3 but rather everywhere except for the screen edges. The original boundary value problem for the Helmholtz equation is reduced to a system of weakly singular integral equations in the regions occupied by the bodies and on the screen surfaces. The equivalence of the integral and differential formulations is proven, and the solvability of the system in the Sobolev spaces is established. The integral equations are approximately solved by the Bubnov-Galerkin method. The convergence of the method is proved, its software implementation is described, and numerical results are presented.

  8. Scattering of an electromagnetic plane wave by a Luneburg lens. I. Ray theory.

    PubMed

    Lock, James A

    2008-12-01

    For a plane wave incident on either a Luneburg lens or a modified Luneburg lens, the magnitude and phase of the transmitted electric field are calculated as a function of the scattering angle in the context of ray theory. It is found that the ray trajectory and the scattered intensity are not uniformly convergent in the vicinity of edge ray incidence on a Luneburg lens, which corresponds to the semiclassical phenomenon of orbiting. In addition, it is found that rays transmitted through a large-focal-length modified Luneburg lens participate in a far-zone rainbow, the details of which are exactly analytically soluble in ray theory. Using these results, the Airy theory of the modified Luneburg lens is derived and compared with the Airy theory of the rainbows of a homogeneous sphere. PMID:19037388

  9. Subarray coherence based postfilter for eigenspace based minimum variance beamformer in ultrasound plane-wave imaging.

    PubMed

    Zhao, Jinxin; Wang, Yuanyuan; Yu, Jinhua; Guo, Wei; Li, Tianjie; Zheng, Yong-Ping

    2016-02-01

    This paper introduces a new beamformer, which combines the eigenspace based minimum variance (ESBMV) beamformer with a subarray coherence based postfilter (SCBP), for improving the quality of ultrasound plane-wave imaging. The ESBMV beamformer has been validated in improving the imaging contrast, but the difficulty in dividing the signal subspace limits the usage of it in the low signal-to-noise ratio (SNR) scenarios. Coherence factor (CF) based methods could optimize the output of a distortionless beamformer to reduce sidelobes, but the influence by the subarray decorrelation technique on the postfilter design has not attracted enough concern before. Accordingly, an ESBMV-SCBP beamformer was proposed in this paper, which used the coherence of the subarray signal to compute an SCBP to optimize the ESBMV results. Simulated and experimental data were used to evaluate the performance of the proposed method. The results showed that the ESBMV-SCBP method achieved an improved imaging quality compared with the ESBMV beamformer. In the simulation study, the contrast ratio (CR) for an anechoic cyst was improved by 9.88 dB and the contrast-to-noise ratio (CNR) was improved by 0.97 over the ESBMV. In the experimental study, the CR improvements for two anechoic cysts were 7.32 dB and 9.45 dB, while the CNRs were improved by 1.27 and 0.66, respectively. The ESBMV-SCBP also showed advantages over the ESBMV-Wiener beamformer in preserving a less grainy speckle, which is closer to that of distortionless beamformers and benefits the imaging contrast. With a relatively small extra computational load, the proposed method has potential to enhance the quality of the ultrasound plane-wave imaging. PMID:26582600

  10. Nonlinear Breit-Wheeler process in the collision of a photon with two plane waves

    NASA Astrophysics Data System (ADS)

    Wu, Yuan-Bin; Xue, She-Sheng

    2014-07-01

    The nonlinear Breit-Wheeler process of electron-positron pair production off a probe photon colliding with a low-frequency and a high-frequency electromagnetic wave that propagate in the same direction is analyzed. We calculate the pair-production probability and the spectra of the created pair in the nonlinear Breit-Wheeler processes of pair production off a probe photon colliding with two plane waves or one of these two plane waves. The differences of these two cases are discussed. We evidently show, in the two-wave case, the possibility of Breit-Wheeler pair production with simultaneous photon emission into the low-frequency wave and the high multiphoton phenomena: (i) Breit-Wheeler pair production by absorption of the probe photon and a large number of photons from the low-frequency wave, in addition to the absorption of one photon from the high-frequency wave; (ii) Breit-Wheeler pair production by absorption of the probe photon and one photon from the high-frequency wave with simultaneous emission of a large number of photons into the low-frequency wave. The phenomenon of photon emission into the wave cannot happen in the one-wave case. Compared with the one-wave case, the contributions from high multiphoton processes are largely enhanced in the two-wave case. The results presented in this article show a possible way to access the observations of the phenomenon of photon emission into the wave and high multiphoton phenomenon in Breit-Wheeler pair production even with the laser-beam intensity of order 1018 W/cm2.

  11. Computational dosimetry in embryos exposed to electromagnetic plane waves over the frequency range of 10 MHz-1.5 GHz.

    PubMed

    Kawai, Hiroki; Nagaoka, Tomoaki; Watanabe, Soichi; Saito, Kazuyuki; Takahashi, Masaharu; Ito, Koichi

    2010-01-01

    This paper presents calculated specific absorption rate (SAR) dosimetry in 4 and 8 week Japanese pregnant-woman models exposed to plane waves over the frequency range of 10 MHz-1.5 GHz. Two types of 2 mm spatial-resolution pregnant-woman models comprised a woman model, which is similar to the average-sized Japanese adult female in height and weight, with a cubic (4 week) embryo or spheroidal (8 week) one. The averaged SAR in the embryos exposed to vertically and horizontally polarized plane waves at four kinds of propagation directions are calculated from 10 MHz to 1.5 GHz. The results indicate that the maximum average SAR in the embryos exposed to plane waves is lower than 0.08 W kg(-1) when the incident power density is at the reference level of ICNIRP guideline for general public environment. PMID:20009180

  12. Reflection and transmission of plane waves through isotropic medium sandwiched between two highly anisotropic half-spaces

    NASA Astrophysics Data System (ADS)

    Sahu, Sanjeev A.; Paswan, Brijendra; Chattopadhyay, Amares

    2016-01-01

    A problem of reflection and transmission of plane wave is presented. The considered geometry consists of an isotropic layer bonded between two highly anisotropic media (Triclinic crystalline). We set to find a relation between direction of motion and direction of propagation of waves as they are not same in anisotropic medium. The incident plane wave reflects three waves (?, and ?) at the interface of isotropic layer and lower half-space. A closed form expression for velocity profile is obtained. We have found the reflection/transmission coefficients and energy ratios of different reflected and transmitted waves. Variations in obtained amplitude ratios and energy ratios with respect to incident angle have been shown graphically.

  13. Plane waves at or near grazing incidence in the parabolic approximation. [acoustic equations of motion for sound fields

    NASA Technical Reports Server (NTRS)

    Mcaninch, G. L.; Myers, M. K.

    1980-01-01

    The parabolic approximation for the acoustic equations of motion is applied to the study of the sound field generated by a plane wave at or near grazing incidence to a finite impedance boundary. It is shown how this approximation accounts for effects neglected in the usual plane wave reflection analysis which, at grazing incidence, erroneously predicts complete cancellation of the incident field by the reflected field. Examples are presented which illustrate that the solution obtained by the parabolic approximation contains several of the physical phenomena known to occur in wave propagation near an absorbing boundary.

  14. Systematic pseudopotentials from reference eigenvalue sets for DFT calculations: Pseudopotential files

    PubMed Central

    Rivero, Pablo; Manuel García-Suárez, Víctor; Pereñiguez, David; Utt, Kainen; Yang, Yurong; Bellaiche, Laurent; Park, Kyungwha; Ferrer, Jaime; Barraza-Lopez, Salvador

    2015-01-01

    We present in this article a pseudopotential (PP) database for DFT calculations in the context of the SIESTA code [1–3]. Comprehensive optimized PPs in two formats (psf files and input files for ATM program) are provided for 20 chemical elements for LDA and GGA exchange-correlation potentials. Our data represents a validated database of PPs for SIESTA DFT calculations. Extensive transferability tests guarantee the usefulness of these PPs. PMID:26217711

  15. A projection-free method for representing plane-wave DFT results in an atom-centered basis

    NASA Astrophysics Data System (ADS)

    Dunnington, Benjamin D.; Schmidt, J. R.

    2015-09-01

    Plane wave density functional theory (DFT) is a powerful tool for gaining accurate, atomic level insight into bulk and surface structures. Yet, the delocalized nature of the plane wave basis set hinders the application of many powerful post-computation analysis approaches, many of which rely on localized atom-centered basis sets. Traditionally, this gap has been bridged via projection-based techniques from a plane wave to atom-centered basis. We instead propose an alternative projection-free approach utilizing direct calculation of matrix elements of the converged plane wave DFT Hamiltonian in an atom-centered basis. This projection-free approach yields a number of compelling advantages, including strict orthonormality of the resulting bands without artificial band mixing and access to the Hamiltonian matrix elements, while faithfully preserving the underlying DFT band structure. The resulting atomic orbital representation of the Kohn-Sham wavefunction and Hamiltonian provides a gateway to a wide variety of analysis approaches. We demonstrate the utility of the approach for a diverse set of chemical systems and example analysis approaches.

  16. Plane-wave diffraction at the periodically corrugated boundary of vacuum and a negative-phase-velocity material.

    PubMed

    Depine, Ricardo A; Lakhtakia, Akhlesh

    2004-05-01

    Considering the diffraction of a plane wave by a periodically corrugated half-space, we show that the transformation of the refracting medium from positive (negative) phase velocity to negative (positive) phase velocity type has an influence on the diffraction efficiencies. This effect increases with increasing corrugation depth, owing to the presence of evanescent waves in the troughs of the corrugated interface. PMID:15244981

  17. Plane-wave matrix theory from N=4 super-Yang-Mills on R×S 3

    NASA Astrophysics Data System (ADS)

    Kim, Nakwoo; Klose, Thomas; Plefka, Jan

    2003-11-01

    Recently a mass deformation of the maximally supersymmetric Yang-Mills quantum mechanics has been constructed from the supermembrane action in eleven-dimensional plane-wave backgrounds. However, the origin of this plane-wave matrix theory in terms of a compactification of a higher-dimensional super-Yang-Mills model has remained obscure. In this paper we study the Kaluza-Klein reduction of D=4, N=4 super-Yang-Mills theory on a round three-sphere, and demonstrate that the plane-wave matrix theory arises through a consistent truncation to the lowest lying modes. We further explore the relation between the dilatation operator of the conformal field theory and the Hamiltonian of the quantum mechanics through perturbative calculations up to two-loop order. In particular, we find that the one-loop anomalous dimensions of pure scalar operators are completely captured by the plane-wave matrix theory. At two-loop level this property ceases to exist.

  18. A projection-free method for representing plane-wave DFT results in an atom-centered basis

    SciTech Connect

    Dunnington, Benjamin D.; Schmidt, J. R.

    2015-09-14

    Plane wave density functional theory (DFT) is a powerful tool for gaining accurate, atomic level insight into bulk and surface structures. Yet, the delocalized nature of the plane wave basis set hinders the application of many powerful post-computation analysis approaches, many of which rely on localized atom-centered basis sets. Traditionally, this gap has been bridged via projection-based techniques from a plane wave to atom-centered basis. We instead propose an alternative projection-free approach utilizing direct calculation of matrix elements of the converged plane wave DFT Hamiltonian in an atom-centered basis. This projection-free approach yields a number of compelling advantages, including strict orthonormality of the resulting bands without artificial band mixing and access to the Hamiltonian matrix elements, while faithfully preserving the underlying DFT band structure. The resulting atomic orbital representation of the Kohn-Sham wavefunction and Hamiltonian provides a gateway to a wide variety of analysis approaches. We demonstrate the utility of the approach for a diverse set of chemical systems and example analysis approaches.

  19. ABINIT: Plane-Wave-Based Density-Functional Theory on High Performance Computers

    NASA Astrophysics Data System (ADS)

    Torrent, Marc

    2014-03-01

    For several years, a continuous effort has been produced to adapt electronic structure codes based on Density-Functional Theory to the future computing architectures. Among these codes, ABINIT is based on a plane-wave description of the wave functions which allows to treat systems of any kind. Porting such a code on petascale architectures pose difficulties related to the many-body nature of the DFT equations. To improve the performances of ABINIT - especially for what concerns standard LDA/GGA ground-state and response-function calculations - several strategies have been followed: A full multi-level parallelisation MPI scheme has been implemented, exploiting all possible levels and distributing both computation and memory. It allows to increase the number of distributed processes and could not be achieved without a strong restructuring of the code. The core algorithm used to solve the eigen problem (``Locally Optimal Blocked Congugate Gradient''), a Blocked-Davidson-like algorithm, is based on a distribution of processes combining plane-waves and bands. In addition to the distributed memory parallelization, a full hybrid scheme has been implemented, using standard shared-memory directives (openMP/openACC) or porting some comsuming code sections to Graphics Processing Units (GPU). As no simple performance model exists, the complexity of use has been increased; the code efficiency strongly depends on the distribution of processes among the numerous levels. ABINIT is able to predict the performances of several process distributions and automatically choose the most favourable one. On the other hand, a big effort has been carried out to analyse the performances of the code on petascale architectures, showing which sections of codes have to be improved; they all are related to Matrix Algebra (diagonalisation, orthogonalisation). The different strategies employed to improve the code scalability will be described. They are based on an exploration of new diagonalization

  20. 3D resolution tests of two-plane wave approach using synthetic seismograms

    NASA Astrophysics Data System (ADS)

    Ceylan, S.; Larmat, C. S.; Sandvol, E. A.

    2012-12-01

    Two-plane wave tomography (TPWT) is becoming a standard approach to obtain fundamental mode Rayleigh wave phase velocities for a variety of tectonic settings. A recent study by Ceylan et al. (2012) has applied this method to eastern Tibet, using data from INDEPTH-IV and Namche-Barwa seismic experiments. The TPWT assumes that distortion of wavefronts at each station can be expressed as the sum of two plane waves. However, there is currently no robust or complete resolution test for TPWT, to address its limitations such as wavefront healing. In this study, we test the capabilities of TPWT and resolution of INDEPTH-IV seismic experiment, by performing 3D resolution tests using synthetic seismograms. Utilizing SPECFEM3D software, we compute synthetic data sets resolving periods down to ~30 s. We implement a checkerboard upper mantle (for depths between 50 and 650 km) with variable cell sizes, superimposed to PREM as the background model. We then calculate fundamental mode surface wave phase velocities using TPWT for periods between 33-143 seconds, using synthetic seismograms computed from our three dimensional hypothetical model. Assuming a constant Poisson's ratio, we use partial derivatives from Saito (1988) to invert for shear wave velocities. We show that the combination of TPWT and Saito (1988) methods is capable of retrieving anomalies down to depths of ~200 km for Rayleigh waves. Below these depths, we observe evidence of both lateral and vertical smearing. We also find that the traditional method for estimating the resolution of TPWT consistently overestimates phase velocity resolutions. Love waves exhibit adequate resolution down to depths of ~100 km. At depths greater than 100 km, smearing is more evident in SH wave results than those of SV waves. Increased smearing of SH waves is most probably due to propagation characteristics and shallower sensitivity of Love waves. Our results imply that TPWT can be applied to Love waves, making future investigations of

  1. Kinetic theory of electromagnetic plane wave obliquely incident on bounded plasma slab

    SciTech Connect

    Angus, J. R.; Krasheninnikov, S. I.; Smolyakov, A. I.

    2010-10-15

    The effects of electromagnetic plane waves obliquely incident on a warm bounded plasma slab of finite length L are studied by solving the coupled Vlasov-Maxwell set of equations. It is shown that the solution can be greatly simplified in the limit where thermal effects are most important by expanding in small parameters and introducing self-similar variables. These solutions reveal that the coupling of thermal effects with the angle of incidence is negligible in the region of bounce resonance and anomalous skin effect. In the region of the anomalous skin effect, the heating is shown to scale linearly with the anomalous skin depth {delta}{sub a} when {delta}{sub a}<>L, the heating is shown to decay with 1/{delta}{sub a}{sup 3}. The transmission is found to be exponentially larger than that predicted from a local theory in the appropriate region of the anomalous skin effect.

  2. Formulation of the Augmented Plane-Wave and Muffin-Tin Orbital Method

    NASA Astrophysics Data System (ADS)

    Kotani, Takao; Kino, Hiori; Akai, Hisazumu

    2015-03-01

    The augmented plane waves and the muffin-tin orbitals method (the PMT method) was proposed by Kotani and van Schilfgaarde in Phys. Rev. B 81, 125117 (2010). It is a mixed basis all-electron full-potential method, which uses two types of augmented waves simultaneously, in addition to the local orbitals. In this paper, this mixed basis method is reformulated on the basis of a new formalism named as the 3-component formalism, which is a mathematically transparent version of the additive augmentation originally proposed by Soler and Williams in Phys. Rev. B 47, 6784 (1993). Atomic forces are easily derived systematically. We discuss some problems in the mixed basis method and ways to manage them. In addition, we compare the method with the PAW method on the same footing. This PMT method is the basis for our new development of the quasiparticle self-consistent GW method in J. Phys. Soc. Jpn. 83, 094711 (2014), available as the ecalj package at github.

  3. On the formation of shocks of electromagnetic plane waves in non-linear crystals

    NASA Astrophysics Data System (ADS)

    Christodoulou, Demetrios; Perez, Daniel Raoul

    2016-08-01

    An influential result of F. John states that no genuinely non-linear strictly hyperbolic quasi-linear first order system of partial differential equations in two variables has a global C2-solution for small enough initial data. Inspired by recent work of D. Christodoulou, we revisit John's original proof and extract a more precise description of the behaviour of solutions at the time of shock. We show that John's singular first order quantity, when expressed in characteristic coordinates, remains bounded until the final time, which is then characterised by an inverse density of characteristics tending to zero in one point. Moreover, we study the derivatives of second order, showing again their boundedness when expressed in appropriate coordinates. We also recover John's upper bound for the time of shock formation and complement it with a lower bound. Finally, we apply these results to electromagnetic plane waves in a crystal with no magnetic properties and cubic electric non-linearity in the energy density, assuming no dispersion.

  4. The Uniform geometrical Theory of Diffraction for elastodynamics: Plane wave scattering from a half-plane.

    PubMed

    Djakou, Audrey Kamta; Darmon, Michel; Fradkin, Larissa; Potel, Catherine

    2015-11-01

    Diffraction phenomena studied in electromagnetism, acoustics, and elastodynamics are often modeled using integrals, such as the well-known Sommerfeld integral. The far field asymptotic evaluation of such integrals obtained using the method of steepest descent leads to the classical Geometrical Theory of Diffraction (GTD). It is well known that the method of steepest descent is inapplicable when the integrand's stationary phase point coalesces with its pole, explaining why GTD fails in zones where edge diffracted waves interfere with incident or reflected waves. To overcome this drawback, the Uniform geometrical Theory of Diffraction (UTD) has been developed previously in electromagnetism, based on a ray theory, which is particularly easy to implement. In this paper, UTD is developed for the canonical elastodynamic problem of the scattering of a plane wave by a half-plane. UTD is then compared to another uniform extension of GTD, the Uniform Asymptotic Theory (UAT) of diffraction, based on a more cumbersome ray theory. A good agreement between the two methods is obtained in the far field. PMID:26627800

  5. Discontinuous Galerkin methods with plane waves for time-harmonic problems

    NASA Astrophysics Data System (ADS)

    Gabard, Gwénaël

    2007-08-01

    A general framework for discontinuous Galerkin methods in the frequency domain with numerical flux is presented. The main feature of the method is the use of plane waves instead of polynomials to approximate the solution in each element. The method is formulated for a general system of linear hyperbolic equations and is applied to problems of aeroacoustic propagation by solving the two-dimensional linearized Euler equations. It is found that the method requires only a small number of elements per wavelength to obtain accurate solutions and that it is more efficient than high-order DRP schemes. In addition, the conditioning of the method is found to be high but not critical in practice. It is shown that the Ultra-Weak Variational Formulation is in fact a subset of the present discontinuous Galerkin method. A special extension of the method is devised in order to deal with singular solutions generated by point sources like monopoles or dipoles. Aeroacoustic problems with non-uniform flows are also considered and results are presented for the sound radiated from a two-dimensional jet.

  6. On plane-wave relativistic electrodynamics in plasmas and in vacuum

    NASA Astrophysics Data System (ADS)

    Fiore, Gaetano

    2014-06-01

    We revisit the exact microscopic equations (in differential, and equivalent integral form) ruling a relativistic cold plasma after the plane-wave Ansatz, without customary approximations. We show that in the Eulerian description the motion of a very diluted plasma initially at rest and excited by an arbitrary transverse plane electromagnetic travelling-wave has a very simple and explicit dependence on the transverse electromagnetic potential; for a non-zero density plasma the above motion is a good approximation of the real one as long as the back-reaction of the charges on the electromagnetic field can be neglected, i.e. for a time lapse decreasing with the plasma density, and can be used as initial step in an iterative resolution scheme. As one of many possible applications, we use these results to describe how the ponderomotive force of a very intense and short plane laser pulse hitting normally the surface of a plasma boosts the surface electrons into the ion background. In response to this penetration, the electrons are pulled back by the electric force exerted by the ions and the other displaced electrons and may leave the plasma with high energy in the direction opposite to that of propagation of the pulse ‘slingshot effect’ (Fiore G et al 2013 arXiv:1309.1400).

  7. Plane-wave Fresnel diffraction by elliptic apertures: a Fourier-based approach.

    PubMed

    Borghi, Riccardo

    2014-10-01

    A simple theoretical approach to evaluate the scalar wavefield, produced, within paraxial approximation, by the diffraction of monochromatic plane waves impinging on elliptic apertures or obstacles is presented. We find that the diffracted field can be mathematically described in terms of a Fourier series with respect to an angular variable suitably related to the elliptic parametrization of the observation plane. The convergence features of such Fourier series are analyzed, and a priori truncation criterion is also proposed. Two-dimensional maps of the optical intensity diffraction patterns are then numerically generated and compared, at a visual level, with several experimental pictures produced in the past. The last part of this work is devoted to carrying out an analytical investigation of the diffracted field along the ellipse axis. A uniform approximation is derived on applying a method originally developed by Schwarzschild, and an asymptotic estimate, valid in the limit of small eccentricities, is also obtained via the Maggi-Rubinowicz boundary wave theory. PMID:25401234

  8. Plane Wave First-principles Materials Science Codes on Multicore Supercomputer Architectures

    NASA Astrophysics Data System (ADS)

    Canning, Andrew; Deslippe, Jack; Louie, Steven. G.; Scidac Team

    2014-03-01

    Plane wave first-principles codes based on 3D FFTs are one of the largest users of supercomputer cycles in the world. Modern supercomputer architectures are constructed from chips having many CPU cores with nodes containing multiple chips. Designs for future supercomputers are projected to have even more cores per chip. I will present new developments for hybrid MPI/OpenMP PW codes focusing on a specialized 3D FFTs that gives greatly improved scaling over a pure MPI version on multicore machines. Scaling results will be presented for the full electronic structure codes PARATEC and BerkeleyGW. using the new hybrid 3D FFTs, threaded libraries and OpenMP to gain greatly improved scaling to very large core count on Cray and IBM machines. Support for this work was provided through the Scientific Discovery through Advanced Computing (SciDAC) program funded by U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research (and Basic Energy Sciences).

  9. Plane wave holonomies in quantum gravity. II. A sine wave solution

    NASA Astrophysics Data System (ADS)

    Neville, Donald E.

    2015-08-01

    This paper constructs an approximate sinusoidal wave packet solution to the equations of canonical gravity. The theory uses holonomy-flux variables with support on a lattice (LHF =lattice-holonomy flux ). There is an SU(2) holonomy on each edge of the LHF simplex, and the goal is to study the behavior of these holonomies under the influence of a passing gravitational wave. The equations are solved in a small sine approximation: holonomies are expanded in powers of sines and terms beyond sin2 are dropped; also, fields vary slowly from vertex to vertex. The wave is unidirectional and linearly polarized. The Hilbert space is spanned by a set of coherent states tailored to the symmetry of the plane wave case. Fixing the spatial diffeomorphisms is equivalent to fixing the spatial interval between vertices of the loop quantum gravity lattice. This spacing can be chosen such that the eigenvalues of the triad operators are large, as required in the small sine limit, even though the holonomies are not large. Appendices compute the energy of the wave, estimate the lifetime of the coherent state packet, discuss circular polarization and coarse-graining, and determine the behavior of the spinors used in the U(N) SHO realization of LQG.

  10. Plane wave density functional molecular dynamics study of exothermic reactions of Al/CuO thermites

    NASA Astrophysics Data System (ADS)

    Oloriegbe, Suleiman; Sewell, Thomas; Chen, Zhen; Jiang, Shan; Gan, Yong

    2014-03-01

    Exothermic reactions between nanosize aluminum (Al) and copper oxide (CuO) structures are of current interest because of their high reaction enthalpy and energy density which exceed those of traditional monomolecular energetic compounds such as TNT, RDX, and HMX. In this work, molecular dynamics simulations with forces obtained from plane wave density functional theory are used to investigate the atomic-scale and electronic processes that occur during the fast thermite reactions between Al and CuO nanostructures under adiabatic conditions. Aluminum surfaces in contact with O-exposed and Cu-exposed CuO surfaces are studied. Starting from initial temperature T = 800 K, we have observed: faster chemical reaction at the oxygen-rich interface during the initial 0.5 ps, linear temperature rise, and fast oxygen diffusion into the Al region with the rate 1.87 X 10-3 cm2/s. The density-derived electrostatic and chemical method is used to evaluate the net atomic charges and charge transfer during the important redox processes. High charge density around the oxygen-exposed interface may be responsible for the faster initial reactions at that interface. The overall reaction rate, determined using the time evolution of Cu-O charge orbital overlap population, is approximately first order.

  11. Scaling of plane-wave functions in statistically optimized near-field acoustic holography.

    PubMed

    Hald, Jørgen

    2014-11-01

    Statistically Optimized Near-field Acoustic Holography (SONAH) is a Patch Holography method, meaning that it can be applied in cases where the measurement area covers only part of the source surface. The method performs projections directly in the spatial domain, avoiding the use of spatial discrete Fourier transforms and the associated errors. First, an inverse problem is solved using regularization. For each calculation point a multiplication must then be performed with two transfer vectors--one to get the sound pressure and the other to get the particle velocity. Considering SONAH based on sound pressure measurements, existing derivations consider only pressure reconstruction when setting up the inverse problem, so the evanescent wave amplification associated with the calculation of particle velocity is not taken into account in the regularized solution of the inverse problem. The present paper introduces a scaling of the applied plane wave functions that takes the amplification into account, and it is shown that the previously published virtual source-plane retraction has almost the same effect. The effectiveness of the different solutions is verified through a set of simulated measurements. PMID:25373969

  12. Near-field coupling model between PCB and grounded transmission line based on plane wave spectrum

    NASA Astrophysics Data System (ADS)

    Leseigneur, Christelle; Baudry, David; Ravelo, Blaise; Louis, Anne

    2013-10-01

    This article presents an explicit model of electromagnetic (EM) coupling between electronic circuits and metallic wire placed above the ground plane. The model is based on the interaction between the EM near-field (NF) that has been treated with plane wave spectrum (PWS) and the Taylor model. The routine process illustrating the methodology is addressed is this article. The practicability of the model developed was upheld with different analytical and real demonstrators. First, the NF coupling between a straight transmission line (TL) and 1 GHz Wilkinson power divider (PWD) designed and implemented in planar technology was provided. Subsequently, simulations with a powerful commercial tool and measurements from 0.2 GHz to 2 GHz revealed a good agreement between the coupling voltages from the proposed model. As a second proof of concept, a printed circuit board incorporating a 40 MHz RF oscillator was placed 5 mm above the grounded TL. Once again, coupling voltages matched measurements were observed with magnitude relative difference lower than 5 dB. The hereby model presents huge benefits not only in terms of flexibility in the design process but it can also be run with very less computation time compared to the existing standard simulators. The model can be potentially a good candidate for investigating complex systems EMC engineering.

  13. Performance bounds for passive sensor arrays operating in a turbulent medium: Plane-wave analysis

    NASA Astrophysics Data System (ADS)

    Collier, S. L.; Wilson, D. K.

    2003-05-01

    The performance bounds of a passive acoustic array operating in a turbulent medium with fluctuations described by a von Kármán spectrum are investigated. This treatment considers a single, monochromatic, plane-wave source at near-normal incidence. A line-of-sight propagation path is assumed. The primary interests are in calculating the Cramer-Rao lower bounds of the azimuthal and elevational angles of arrival and in observing how these bounds change with the introduction of additional unknowns, such as the propagation distance, turbulence parameters, and signal-to-noise ratio. In both two and three dimensions, it is found that for large values of the index-of-refraction variance, the Cramer-Rao lower bounds of the angles of arrival increase significantly at large values of the normalized propagation distance. For small values of the index-of-refraction variance and normalized propagation distance, the signal-to-noise ratio is found to be the limiting factor. In the two-dimensional treatment, it is found that the estimate of the angle of arrival will decouple from the estimates of the other parameters with the appropriate choice of array geometry. In three dimensions, again with an appropriate choice of array geometry, the estimates of the azimuth and elevation will decouple from the estimates of the other parameters, but due to the constraints of the model, will remain coupled to one another.

  14. Performance bounds for passive sensor arrays operating in a turbulent medium: plane-wave analysis.

    PubMed

    Collier, S L; Wilson, D K

    2003-05-01

    The performance bounds of a passive acoustic array operating in a turbulent medium with fluctuations described by a von Kármán spectrum are investigated. This treatment considers a single, monochromatic, plane-wave source at near-normal incidence. A line-of-sight propagation path is assumed. The primary interests are in calculating the Cramer-Rao lower bounds of the azimuthal and elevational angles of arrival and in observing how these bounds change with the introduction of additional unknowns, such as the propagation distance, turbulence parameters, and signal-to-noise ratio. In both two and three dimensions, it is found that for large values of the index-of-refraction variance, the Cramer-Rao lower bounds of the angles of arrival increase significantly at large values of the normalized propagation distance. For small values of the index-of-refraction variance and normalized propagation distance, the signal-to-noise ratio is found to be the limiting factor. In the two-dimensional treatment, it is found that the estimate of the angle of arrival will decouple from the estimates of the other parameters with the appropriate choice of array geometry. In three dimensions, again with an appropriate choice of array geometry, the estimates of the azimuth and elevation will decouple from the estimates of the other parameters, but due to the constraints of the model, will remain coupled to one another. PMID:12765389

  15. Numerical modeling of undersea acoustics using a partition of unity method with plane waves enrichment

    NASA Astrophysics Data System (ADS)

    Hospital-Bravo, Raúl; Sarrate, Josep; Díez, Pedro

    2016-05-01

    A new 2D numerical model to predict the underwater acoustic propagation is obtained by exploring the potential of the Partition of Unity Method (PUM) enriched with plane waves. The aim of the work is to obtain sound pressure level distributions when multiple operational noise sources are present, in order to assess the acoustic impact over the marine fauna. The model takes advantage of the suitability of the PUM for solving the Helmholtz equation, especially for the practical case of large domains and medium frequencies. The seawater acoustic absorption and the acoustic reflectance of the sea surface and sea bottom are explicitly considered, and perfectly matched layers (PML) are placed at the lateral artificial boundaries to avoid spurious reflexions. The model includes semi-analytical integration rules which are adapted to highly oscillatory integrands with the aim of reducing the computational cost of the integration step. In addition, we develop a novel strategy to mitigate the ill-conditioning of the elemental and global system matrices. Specifically, we compute a low-rank approximation of the local space of solutions, which in turn reduces the number of degrees of freedom, the CPU time and the memory footprint. Numerical examples are presented to illustrate the capabilities of the model and to assess its accuracy.

  16. Underdetermined system theory applied to quantitative analysis of responses caused by unsteady smooth-plane waves

    NASA Astrophysics Data System (ADS)

    Sano, Yukio

    1993-01-01

    The mechanical responses of rate-dependent media caused by unsteady smooth-plane waves are quantitatively analyzed by an underdetermined system of equations without using any constitutive relation of the media; that is, by using the particle velocity field expressed by an algebraic equation that is derived from the mass conservation equation, and the stress field expressed by an algebraic equation that is derived from the momentum conservation equation. First of all, this approach for analyzing unsteady wave motion is justified by the verification of various inferences such as the existence of the nonindependent elementary waves by Sano [J. Appl. Phys. 65, 3857(1989)] and the degradation process by Sano [J. Appl. Phys. 67, 4072(1990)]. Second, the situation under which a spike arises in particle velocity-time and stress-time profiles, and the reason for the arising are clarified. Third, the influence of the spike on stress-particle velocity and stress-strain paths is examined. The spike induced in the profiles by a growing wave greatly influences the paths near the impacted surface. Finally, calculated particle velocity-time profiles are compared with experimental data.

  17. Plane-wave Sf S reconstruction of water surface characteristics from Lambertian reflectance data

    NASA Astrophysics Data System (ADS)

    Huang, Jian; O'Sullivan, Finbarr; Jike, Linhao

    2012-06-01

    The classical shape from shading (SfS) problem of computer vision is concerned with the reconstruction of a 3D object surface from its photographic image. Essential non-uniqueness and intrinsic nonlinearity make the problem challenging. This work considers the case where the object is a water surface so that the statistical approximation by superposition of plane waves is natural. An efficient greedy algorithm involving recursive refinement of wave fronts, subject to a wave-front frequency constraint is developed. The approach is evaluated using simulated reflectance data based on a set of wind-generated wave-field images obtained from detailed wave-tank measurements. The traditional setup for the SfS problem (orthographic cameras, light sources at infinity and the Lambertian surfaces) is used. Generalization to include a specular (Phong) reflectance component is also discussed. Results indicate that key statistical characteristics of the wave field related to its stage of development (evolution) are properly recovered by the approach. Thus there may be future potential for novel photographic-based remote sensing of physical drivers (e.g. wind velocity) of local water surface patterns.

  18. GPU-based beamformer: fast realization of plane wave compounding and synthetic aperture imaging.

    PubMed

    Yiu, Billy Y S; Tsang, Ivan K H; Yu, Alfred C H

    2011-08-01

    Although they show potential to improve ultrasound image quality, plane wave (PW) compounding and synthetic aperture (SA) imaging are computationally demanding and are known to be challenging to implement in real-time. In this work, we have developed a novel beamformer architecture with the real-time parallel processing capacity needed to enable fast realization of PW compounding and SA imaging. The beamformer hardware comprises an array of graphics processing units (GPUs) that are hosted within the same computer workstation. Their parallel computational resources are controlled by a pixel-based software processor that includes the operations of analytic signal conversion, delay-and-sum beamforming, and recursive compounding as required to generate images from the channel-domain data samples acquired using PW compounding and SA imaging principles. When using two GTX-480 GPUs for beamforming and one GTX-470 GPU for recursive compounding, the beamformer can compute compounded 512 x 255 pixel PW and SA images at throughputs of over 4700 fps and 3000 fps, respectively, for imaging depths of 5 cm and 15 cm (32 receive channels, 40 MHz sampling rate). Its processing capacity can be further increased if additional GPUs or more advanced models of GPU are used. PMID:21859591

  19. Two-Temperature Effects on Plane Waves in Generalized Thermo-Microstretch Elastic Solid

    NASA Astrophysics Data System (ADS)

    Atwa, Sarhan. Y.; Jahangir, A.

    2014-01-01

    In this article, the effect of two temperatures on plane waves propagating through a generalized-thermo-microstretch elastic half-space solid has been investigated. The surface of the medium is subjected to a mode-I crack, and the axis is pointing vertically into the medium. Two fascinating theories of generalized thermo-elasticity presented by Green and Naghdi and named as without energy dissipation (GN-II) and with energy dissipation (GN-III) have been used. Governing equations for each particular case are also derived, and a solution is obtained. An analytical technique of normal mode analysis is used to obtain the exact expressions for the displacement components, force stresses, the temperature, and the couple stresses distribution. The variations of the considered variables against the vertical distance are illustrated graphically. Comparisons are made with the results between type II and III in generalized-thermo-microstretch and in a particular case (without microstretch constants). Numerical work is also performed for a suitable material with the aim of illustrating the results. It is found that the maximum amplitude is obtained for the maximum value of the two temperature parametric constant.

  20. GW in the Gaussian and Plane Waves Scheme with Application to Linear Acenes.

    PubMed

    Wilhelm, Jan; Del Ben, Mauro; Hutter, Jürg

    2016-08-01

    We present an implementation of G0W0 and eigenvalue-self-consistent GW (evGW) in the Gaussian and plane waves scheme for molecules. We calculate the correlation self-energy for imaginary frequencies employing the resolution of the identity. The correlation self-energy for real frequencies is then evaluated by analytic continuation. This technique allows an efficient parallel implementation and application to systems with several hundreds of atoms. Various benchmark calculations are presented. In particular, the convergence with respect to the most important numerical parameters is assessed for the benzene molecule. Comparisons with respect to other G0W0 implementations are reported for a set of molecules, while the performance of the method has been measured for water clusters containing up to 480 atoms in a cc-TZVP basis. Additionally, G0W0 has been applied for studying the influence of the ligands on the gap of small CdSe nanoparticles. evGW has been employed to calculate the HOMO-LUMO gaps of linear acenes, linear chains formed of connected benzene rings. Distinct differences between the closed and the open-shell (broken-symmetry) evGW HOMO-LUMO gaps for long acenes are found. In future experiments, a comparison of measured HOMO-LUMO gaps and our calculated evGW values may be helpful to determine the electronic ground state of long acenes. PMID:27348184

  1. Temporal Non-locality

    NASA Astrophysics Data System (ADS)

    Filk, Thomas

    2013-04-01

    In this article I investigate several possibilities to define the concept of "temporal non-locality" within the standard framework of quantum theory. In particular, I analyze the notions of "temporally non-local states", "temporally non-local events" and "temporally non-local observables". The idea of temporally non-local events is already inherent in the standard formalism of quantum mechanics, and Basil Hiley recently defined an operator in order to measure the degree of such a temporal non-locality. The concept of temporally non-local states enters as soon as "clock-representing states" are introduced in the context of special and general relativity. It is discussed in which way temporally non-local measurements may find an interesting application for experiments which test temporal versions of Bell inequalities.

  2. Cylindrical and spherical space equivalents to the plane wave expansion technique of Maxwell's wave equations

    NASA Astrophysics Data System (ADS)

    Gauthier, Robert C.; Alzahrani, Mohammed A.; Jafari, Seyed Hamed

    2015-02-01

    The plane wave expansion (PWM) technique applied to Maxwell's wave equations provides researchers with a supply of information regarding the optical properties of dielectric structures. The technique is well suited for structures that display a linear periodicity. When the focus is directed towards optical resonators and structures that lack linear periodicity the eigen-process can easily exceed computational resources and time constraints. In the case of dielectric structures which display cylindrical or spherical symmetry, a coordinate system specific set of basis functions have been employed to cast Maxwell's wave equations into an eigen-matrix formulation from which the resonator states associated with the dielectric profile can be obtained. As for PWM, the inverse of the dielectric and field components are expanded in the basis functions (Fourier-Fourier-Bessel, FFB, in cylindrical and Fourier- Bessel-Legendre, BLF, in spherical) and orthogonality is employed to form the matrix expressions. The theoretical development details will be presented indicating how certain mathematical complications in the process have been overcome and how the eigen-matrix can be tuned to a specific mode type. The similarities and differences in PWM, FFB and BLF are presented. In the case of structures possessing axial cylindrical symmetry, the inclusion of the z axis component of propagation constant makes the technique applicable to photonic crystal fibers and other waveguide structures. Computational results will be presented for a number of different dielectric geometries including Bragg ring resonators, cylindrical space slot channel waveguides and bottle resonators. Steps to further enhance the computation process will be reported.

  3. Robust angle-independent blood velocity estimation based on dual-angle plane wave imaging.

    PubMed

    Fadnes, Solveig; Ekroll, Ingvild Kinn; Nyrnes, Siri Ann; Torp, Hans; Lovstakken, Lasse

    2015-10-01

    Two-dimensional blood velocity estimation has shown potential to solve the angle-dependency of conventional ultrasound flow imaging. Clutter filtering, however, remains a major challenge for large beam-to-flow angles, leading to signal drop-outs and corrupted velocity estimates. This work presents and evaluates a compounding speckle tracking (ST) algorithm to obtain robust angle-independent 2-D blood velocity estimates for all beam-to-flow angles. A dual-angle plane wave imaging setup with full parallel receive beamforming is utilized to achieve high-frame-rate speckle tracking estimates from two scan angles, which may be compounded to obtain velocity estimates of increased robustness. The acquisition also allows direct comparison with vector Doppler (VD) imaging. Absolute velocity bias and root-mean-square (RMS) error of the compounding ST estimations were investigated using simulations of a rotating flow phantom with low velocities ranging from 0 to 20 cm/s. In a challenging region where the estimates were influenced by clutter filtering, the bias and RMS error for the compounding ST estimates were 11% and 2 cm/s, a significant reduction compared with conventional single-angle ST (22% and 4 cm/s) and VD (36% and 6 cm/s). The method was also tested in vivo for vascular and neonatal cardiac imaging. In a carotid artery bifurcation, the obtained blood velocity estimates showed that the compounded ST method was less influenced by clutter filtering than conventional ST and VD methods. In the cardiac case, it was observed that ST velocity estimation is more affected by low signal-to-noise (SNR) than VD. However, with sufficient SNR the in vivo results indicated that a more robust angle-independent blood velocity estimator is obtained using compounded speckle tracking compared with conventional ST and VD methods. PMID:26470038

  4. Radiation of de-excited electrons at large times in a strong electromagnetic plane wave

    SciTech Connect

    Kazinski, P.O.

    2013-12-15

    The late time asymptotics of the physical solutions to the Lorentz–Dirac equation in the electromagnetic external fields of simple configurations–the constant homogeneous field, the linearly polarized plane wave (in particular, the constant uniform crossed field), and the circularly polarized plane wave–are found. The solutions to the Landau–Lifshitz equation for the external electromagnetic fields admitting a two-parametric symmetry group, which include as a particular case the above mentioned field configurations, are obtained. Some general properties of the total radiation power of a charged particle are established. In particular, for a circularly polarized wave and constant uniform crossed fields, the total radiation power in the asymptotic regime is independent of the charge and the external field strength, when expressed in terms of the proper-time, and equals a half the rest energy of a charged particle divided by its proper-time. The spectral densities of the radiation power formed on the late time asymptotics are derived for a charged particle moving in the external electromagnetic fields of the simple configurations pointed above. This provides a simple method to verify experimentally that the charged particle has reached the asymptotic regime. -- Highlights: •Late time asymptotics of the solutions to the Lorentz–Dirac equation are studied. •General properties of the total radiation power of electrons are established. •The total radiation power equals a half the rest energy divided by the proper-time. •Spectral densities of radiation formed on the late time asymptotics are derived. •Possible experimental verification of the results is proposed.

  5. Generalized pseudopotential theory of d-band metals

    SciTech Connect

    Moriarty, J.A.

    1983-01-01

    The generalized pseudopotential theory (GPT) of metals is reviewed with emphasis on recent developments. This theory, which attempts to rigorously extend to d-band metals the spirit of conventional simple-metal pseudopotential perturbation theory, has now been optimized and fully integrated with the Kohn-Sham local-density-functional formalism, allowing for systematic first-principles calculations. Recent work on the problems of cohesion, lattice dynamics, structural phase stability, pressure- and temperature-induced phase transitions, and melting is discussed.

  6. Scattering of an electromagnetic plane wave by a homogeneous sphere made of an orthorhombic dielectric-magnetic material.

    PubMed

    Ulfat Jafri, A D; Lakhtakia, Akhlesh

    2014-01-01

    An exact transition matrix was formulated for electromagnetic scattering by an orthorhombic dielectric-magnetic sphere whose permeability dyadic is a scalar multiple of its permittivity dyadic. Calculations were made for plane waves incident on the sphere. As the size parameter increases, the role of anisotropy evolves; multiple lobes appear in the plots of the differential scattering efficiency in any scattering plane; the total scattering, extinction, and forward-scattering efficiencies exhibit a prominent maximum each; and the absorption efficiency generally increases with weak undulations. Certain orientations of the sphere with respect to the directions of propagation and the electric field of the incident plane wave make it highly susceptible to detection in a monostatic configuration, whereas other orientations make it much less vulnerable to detection. Impedance match to the ambient free space decreases backscattering efficiency significantly, although anisotropy prevents null backscattering. PMID:24561944

  7. Process e/sup -/. -->. e/sup -/(. nu. nu-bar) in the field of a circularly polarized plane wave

    SciTech Connect

    Skobelev, V.V.

    1987-12-01

    The e/sup -/..-->..e/sup -/(..nu..nu-bar) process in the field of a circularly polarized plane wave is studied in the framework of the Glashow-Weinberg-Salam model. General expressions for the probability of creation of neutrino pairs are obtained, and the case of a low-intensity wave is studied in detail. The effects of asymmetry of emission of electron and muon neutrinos are estimated, and comparison with previous results is performed.

  8. An algorithm for the calculation of the partial wave expansion of the Coulomb-distorted plane wave

    NASA Astrophysics Data System (ADS)

    Hornyak, I.; Kruppa, A. T.

    2015-12-01

    The partial wave expansion of the Coulomb-distorted plane wave is determined by the help of the complex generalized hypergeometric function 2F2(a , a ; a + l + 1 , a - l ; z) . An algorithm for the calculation of 2F2(a , a ; a + l + 1 , a - l ; z) is created and it is implemented as a FORTRAN-90 code. The code is fast and its accuracy is 14 significant decimal digits.

  9. Sparse representation of plane wave response matrices for convex targets using local solution modes with band-limited excitations

    NASA Astrophysics Data System (ADS)

    Adams, R. J.; Wang, G.; Canning, F. X.; Davis, B. A.

    2006-12-01

    A procedure is outlined for determining compressed representations of the plane wave response matrix (P matrix) for transverse magnetic scattering with respect to the z axis from convex cylinders. The method is based on the determination of band-limited spectral modes that excite spatially localized solutions to the wave equation and satisfy global boundary conditions. Numerical examples indicate that the proposed method provides a representation of the P matrix with reduced computational complexity.

  10. Rigorous formulation for electromagnetic plane-wave scattering from a general-shaped groove in a perfectly conducting plane: comment.

    PubMed

    Skigin, Diana C; Depine, Ricardo A

    2008-05-01

    We show that the problem of scattering of an obliquely incident plane wave by a general-shaped groove engraved on a perfectly conducting plane, which was recently studied by Basha et al. [J. Opt. Soc. Am. A24, 1647 (2007)], was solved 11 years ago using the same formulation. This method was further extended to deal with a finite number of grooves and also with complex apertures including several nonlossy and lossy dielectrics, as well as real metals. PMID:18451923

  11. Modelling ultrasonic array signals in multilayer anisotropic materials using the angular spectrum decomposition of plane wave responses

    NASA Astrophysics Data System (ADS)

    Humeida, Yousif; Pinfield, Valerie J.; Challis, Richard E.

    2013-08-01

    Ultrasonic arrays have seen increasing use for the characterisation of composite materials. In this paper, ultrasonic wave propagation in multilayer anisotropic materials has been modelled using plane wave and angular spectrum decomposition techniques. Different matrix techniques, such as the stiffness matrix method and the transfer matrix method, are used to calculate the reflection and transmission coefficients of ultrasonic plane waves in the considered media. Then, an angular decomposition technique is used to derive the bounded beams from finite-width ultrasonic array elements from the plane wave responses calculated earlier. This model is considered to be an analytical exact solution for the problem; hence the diffraction of waves in such composite materials can be calculated for different incident angles for a very wide range of frequencies. This model is validated against experimental measurements using the Full-Matrix Capture (FMC) of array data in both a homogeneous isotropic material, i.e. aluminium, and an inhomogeneous multilayer anisotropic material, i.e. a carbon fibre reinforced composite.

  12. Plane-wave solutions to frequency-domain and time-domain scattering from magnetodielectric slabs.

    PubMed

    Yaghjian, Arthur D; Hansen, Thorkild B

    2006-04-01

    Plane-wave representations are used to formulate the exact solutions to frequency-domain and time-domain sources illuminating a magnetodielectric slab with complex permittivity epsilon(omega) and permeability mu(omega). In the special case of a line source at z = 0 a distance d < L in front of an L-wide lossless double-negative (DNG) slab with kappa(omega 0) = epsilon(omega 0) / epsilon 0 = mu(omega 0) / mu 0 = (-1), the single-frequency (omega 0) solution exhibits not only "perfectly focused" fields for z > 2L but also divergent infinite fields in the region 2d < z < 2L. In contrast, the solution to the same lossless kappa(omega 0) = (-1) DNG slab illuminated by a sinusoidal wave that begins at some initial time t = 0 (and thus has a nonzero bandwidth, unlike the single-frequency excitation that begins at t = (-infinity) is proven to have imperfectly focused fields and convergent finite fields everywhere for all finite time t. The proof hinges on the variation of kappa(omega) about omega = omega 0 having a lower bound imposed by causality and energy conservation. The minimum time found to produce a given resolution is proportional to the estimate obtained by G. Gómez-Santos, [Phys. Rev. Lett. 90, 077401 (2003)]. Only as t --> infinity do the fields become perfectly focused in the region z > 2L and divergent in the region 2d < z < 2L. These theoretical results, which are confirmed by numerical examples, imply that divergent fields of the single-frequency solution are not caused by an inherent inconsistency in assuming an ideal lossless kappa(omega 0) = (-1) DNG material, but are the result of the continuous single-frequency wave (which contains infinite energy) building up infinite reactive fields during the infinite duration of time from t = (-infinity) to the present time t that the single-frequency excitation has been applied. An analogous situation occurs at the resonant frequencies of a lossless cavity. A single-frequency (zero-bandwidth) source inside the

  13. Nonlocal magnetorotational instability

    SciTech Connect

    Mikhailovskii, A. B.; Erokhin, N. N.; Lominadze, J. G.; Galvao, R. M. O.; Churikov, A. P.; Kharshiladze, O. A.; Amador, C. H. S.

    2008-05-15

    An analytical theory of the nonlocal magnetorotational instability (MRI) is developed for the simplest astrophysical plasma model. It is assumed that the rotation frequency profile has a steplike character, so that there are two regions in which it has constant different values, separated by a narrow transition layer. The surface wave approach is employed to investigate the MRI in this configuration. It is shown that the main regularities of the nonlocal MRI are similar to those of the local instability and that driving the nonaxisymmetric MRI is less effective than the axisymmetric one, also for the case of the nonlocal instability. The existence of nonlocal instabilities in nonmagnetized plasma is predicted.

  14. Nonlocal General Relativity

    NASA Astrophysics Data System (ADS)

    Mashhoon, Bahram

    2014-12-01

    A brief account of the present status of the recent nonlocal generalization of Einstein's theory of gravitation is presented. The main physical assumptions that underlie this theory are described. We clarify the physical meaning and significance of Weitzenbock's torsion and emphasize its intimate relationship with the gravitational field, characterized by the Riemannian curvature of spacetime. In this theory, nonlocality can simulate dark matter; in fact, in the Newtonian regime, we recover the phenomenological Tohline-Kuhn approach to modified gravity. To account for the observational data regarding dark matter, nonlocality is associated with a characteristic length scale of order 1 kpc. The confrontation of nonlocal gravity with observation is briefly discussed.

  15. Relativistic small-core pseudopotentials for actinium, thorium, and protactinium.

    PubMed

    Weigand, Anna; Cao, Xiaoyan; Hangele, Tim; Dolg, Michael

    2014-04-01

    Small-core pseudopotentials for actinium, thorium, and protactinium have been energy-adjusted to multiconfiguration Dirac-Hartree-Fock reference data based on the Dirac-Coulomb-Breit Hamiltonian and the Fermi nucleus model. Corresponding optimized valence basis sets of polarized valence quadruple-ζ quality are presented. Atomic test calculations for the first four ionization potentials show satisfactory results at both the Hartree-Fock and the multireference averaged coupled-pair functional level. Highly correlated Fock-space coupled cluster calculations demonstrate that the new pseudopotentials yield ionization potentials, which are in excellent agreement with corresponding all-electron results and experimental data. The pseudopotentials and basis sets supplement a similar set previously published for uranium. PMID:24628327

  16. Ultrasound Contrast Plane Wave Imaging Based on Bubble Wavelet Transform: In Vitro and In Vivo Validations.

    PubMed

    Wang, Diya; Zong, Yujin; Yang, Xuan; Hu, Hong; Wan, Jinjin; Zhang, Lei; Bouakaz, Ayache; Wan, Mingxi

    2016-07-01

    The aim of the study described here was to develop an ultrasound contrast plane wave imaging (PWI) method based on pulse-inversion bubble wavelet transform imaging (PIWI) to improve the contrast-to-tissue ratio of contrast images. A pair of inverted "bubble wavelets" with plane waves was constructed according to the modified Herring equation. The original echoes were replaced by the maximum wavelet correlation coefficients obtained from bubble wavelet correlation analysis. The echoes were then summed to distinguish microbubbles from tissues. In in vivo experiments on rabbit kidney, PIWI improved the contrast-to-tissue ratio of contrast images up to 4.5 ± 1.5 dB, compared with that obtained in B-mode (p < 0.05), through use of a pair of inverted plane waves. The disruption rate and infusion time of microbubbles in PIWI-based PWI were then quantified using two perfusion parameters, area under the curve and half transmit time estimated from time-intensity curves, respectively. After time-intensity curves were denoised by detrended fluctuation analysis, the average area under the curve and half transit time of PIWI-based PWI were 55.94% (p < 0.05) and 20.51% (p < 0.05) higher than those of conventional focused imaging, respectively. Because of its high contrast-to-tissue ratio and low disruption of microbubbles, PIWI-based PWI has a long infusion time and is therefore beneficial for transient monitoring and perfusion assessment of microbubbles circulating in vessels. PMID:27067280

  17. Extending the size-parameter range for plane-wave light scattering from infinite homogeneous circular cylinders

    SciTech Connect

    Hau-Riege, S

    2005-04-12

    We have developed an algorithm that extends the possible size-parameter range for the calculation of plane-wave light scattering from infinite homogeneous circular cylinders using a Mie-type analysis. Our algorithm is based on the calculation of the ratios of Bessel functions instead of calculating the Bessel functions or their logarithmic derivatives directly. We have found that this algorithm agrees with existing methods (when those methods converge). We have also found that our algorithm converges in cases of very large size parameters, in which case other algorithms often do not.

  18. Plane-wave and common-translation-factor treatments of He sup 2+ +H collisions at high velocities

    SciTech Connect

    Errea, L.F. ); Harel, C.; Jouin, H. ); Maidagan, J.M.; Mendez, L. ); Pons, B. ); Riera, A. )

    1992-11-01

    We complement previous work that showed that the molecular approach, modified with plane-wave translation factors, is able to reproduce the fall of charge-exchange cross sections in He{sup 2+}+H collisions, by presenting the molecular data, and studying the corresponding mechanism. We test the accuracy of simplifications of the method that have been employed in the literature, and that lead to very simple calculations. We show that the common-translation-factor method is also successful at high nuclear velocities, provided that sufficiently excited states are included in the basis; moreover, it yields a simple picture of the mechanism and a description of ionization processes at high velocities.

  19. Correlated electron pseudopotentials for 3d-transition metals

    SciTech Connect

    Trail, J. R. Needs, R. J.

    2015-02-14

    A recently published correlated electron pseudopotentials (CEPPs) method has been adapted for application to the 3d-transition metals, and to include relativistic effects. New CEPPs are reported for the atoms Sc − Fe, constructed from atomic quantum chemical calculations that include an accurate description of correlated electrons. Dissociation energies, molecular geometries, and zero-point vibrational energies of small molecules are compared with all electron results, with all quantities evaluated using coupled cluster singles doubles and triples calculations. The CEPPs give better results in the correlated-electron calculations than Hartree-Fock-based pseudopotentials available in the literature.

  20. Correlated electron pseudopotentials for 3d-transition metals

    NASA Astrophysics Data System (ADS)

    Trail, J. R.; Needs, R. J.

    2015-02-01

    A recently published correlated electron pseudopotentials (CEPPs) method has been adapted for application to the 3d-transition metals, and to include relativistic effects. New CEPPs are reported for the atoms Sc - Fe, constructed from atomic quantum chemical calculations that include an accurate description of correlated electrons. Dissociation energies, molecular geometries, and zero-point vibrational energies of small molecules are compared with all electron results, with all quantities evaluated using coupled cluster singles doubles and triples calculations. The CEPPs give better results in the correlated-electron calculations than Hartree-Fock-based pseudopotentials available in the literature.

  1. Accurate all-electron G0W0 quasiparticle energies employing the full-potential augmented plane-wave method

    NASA Astrophysics Data System (ADS)

    Nabok, Dmitrii; Gulans, Andris; Draxl, Claudia

    2016-07-01

    The G W approach of many-body perturbation theory has become a common tool for calculating the electronic structure of materials. However, with increasing number of published results, discrepancies between the values obtained by different methods and codes become more and more apparent. For a test set of small- and wide-gap semiconductors, we demonstrate how to reach the numerically best electronic structure within the framework of the full-potential linearized augmented plane-wave (FLAPW) method. We first evaluate the impact of local orbitals in the Kohn-Sham eigenvalue spectrum of the underlying starting point. The role of the basis-set quality is then further analyzed when calculating the G0W0 quasiparticle energies. Our results, computed with the exciting code, are compared to those obtained using the projector-augmented plane-wave formalism, finding overall good agreement between both methods. We also provide data produced with a typical FLAPW basis set as a benchmark for other G0W0 implementations.

  2. Electron transport in graphene/graphene side-contact junction by plane-wave multiple-scattering method

    DOE PAGESBeta

    Li, Xiang-Guo; Chu, Iek-Heng; Zhang, X. -G.; Cheng, Hai-Ping

    2015-05-28

    Electron transport in graphene is along the sheet but junction devices are often made by stacking different sheets together in a “side-contact” geometry which causes the current to flow perpendicular to the sheets within the device. Such geometry presents a challenge to first-principles transport methods. We solve this problem by implementing a plane-wave-based multiple-scattering theory for electron transport. In this study, this implementation improves the computational efficiency over the existing plane-wave transport code, scales better for parallelization over large number of nodes, and does not require the current direction to be along a lattice axis. As a first application, wemore » calculate the tunneling current through a side-contact graphene junction formed by two separate graphene sheets with the edges overlapping each other. We find that transport properties of this junction depend strongly on the AA or AB stacking within the overlapping region as well as the vacuum gap between two graphene sheets. Finally, such transport behaviors are explained in terms of carbon orbital orientation, hybridization, and delocalization as the geometry is varied.« less

  3. Correction of the near threshold behavior of electron collisional excitation cross-sections in the plane-wave Born approximation

    DOE PAGESBeta

    Kilcrease, D. P.; Brookes, S.

    2013-08-19

    The modeling of NLTE plasmas requires the solution of population rate equations to determine the populations of the various atomic levels relevant to a particular problem. The equations require many cross sections for excitation, de-excitation, ionization and recombination. Additionally, a simple and computational fast way to calculate electron collisional excitation cross-sections for ions is by using the plane-wave Born approximation. This is essentially a high-energy approximation and the cross section suffers from the unphysical problem of going to zero near threshold. Various remedies for this problem have been employed with varying degrees of success. We present a correction procedure formore » the Born cross-sections that employs the Elwert–Sommerfeld factor to correct for the use of plane waves instead of Coulomb waves in an attempt to produce a cross-section similar to that from using the more time consuming Coulomb Born approximation. We compare this new approximation with other, often employed correction procedures. Furthermore, we also look at some further modifications to our Born Elwert procedure and its combination with Y.K. Kim's correction of the Coulomb Born approximation for singly charged ions that more accurately approximate convergent close coupling calculations.« less

  4. Correction of the near threshold behavior of electron collisional excitation cross-sections in the plane-wave Born approximation

    SciTech Connect

    Kilcrease, D. P.; Brookes, S.

    2013-08-19

    The modeling of NLTE plasmas requires the solution of population rate equations to determine the populations of the various atomic levels relevant to a particular problem. The equations require many cross sections for excitation, de-excitation, ionization and recombination. Additionally, a simple and computational fast way to calculate electron collisional excitation cross-sections for ions is by using the plane-wave Born approximation. This is essentially a high-energy approximation and the cross section suffers from the unphysical problem of going to zero near threshold. Various remedies for this problem have been employed with varying degrees of success. We present a correction procedure for the Born cross-sections that employs the Elwert–Sommerfeld factor to correct for the use of plane waves instead of Coulomb waves in an attempt to produce a cross-section similar to that from using the more time consuming Coulomb Born approximation. We compare this new approximation with other, often employed correction procedures. Furthermore, we also look at some further modifications to our Born Elwert procedure and its combination with Y.K. Kim's correction of the Coulomb Born approximation for singly charged ions that more accurately approximate convergent close coupling calculations.

  5. Extension of the basis set of linearized augmented plane wave (LAPW) method by using supplemented tight binding basis functions

    NASA Astrophysics Data System (ADS)

    Nikolaev, A. V.; Lamoen, D.; Partoens, B.

    2016-07-01

    In order to increase the accuracy of the linearized augmented plane wave (LAPW) method, we present a new approach where the plane wave basis function is augmented by two different atomic radial components constructed at two different linearization energies corresponding to two different electron bands (or energy windows). We demonstrate that this case can be reduced to the standard treatment within the LAPW paradigm where the usual basis set is enriched by the basis functions of the tight binding type, which go to zero with zero derivative at the sphere boundary. We show that the task is closely related with the problem of extended core states which is currently solved by applying the LAPW method with local orbitals (LAPW+LO). In comparison with LAPW+LO, the number of supplemented basis functions in our approach is doubled, which opens up a new channel for the extension of the LAPW and LAPW+LO basis sets. The appearance of new supplemented basis functions absent in the LAPW+LO treatment is closely related with the existence of the u ˙ l -component in the canonical LAPW method. We discuss properties of additional tight binding basis functions and apply the extended basis set for computation of electron energy bands of lanthanum (face and body centered structures) and hexagonal close packed lattice of cadmium. We demonstrate that the new treatment gives lower total energies in comparison with both canonical LAPW and LAPW+LO, with the energy difference more pronounced for intermediate and poor LAPW basis sets.

  6. Terahertz Wide-Angle Imaging and Analysis on Plane-wave Criteria Based on Inverse Synthetic Aperture Techniques

    NASA Astrophysics Data System (ADS)

    Gao, Jing Kun; Qin, Yu Liang; Deng, Bin; Wang, Hong Qiang; Li, Jin; Li, Xiang

    2016-04-01

    This paper presents two parts of work around terahertz imaging applications. The first part aims at solving the problems occurred with the increasing of the rotation angle. To compensate for the nonlinearity of terahertz radar systems, a calibration signal acquired from a bright target is always used. Generally, this compensation inserts an extra linear phase term in the intermediate frequency (IF) echo signal which is not expected in large-rotation angle imaging applications. We carried out a detailed theoretical analysis on this problem, and a minimum entropy criterion was employed to estimate and compensate for the linear-phase errors. In the second part, the effects of spherical wave on terahertz inverse synthetic aperture imaging are analyzed. Analytic criteria of plane-wave approximation were derived in the cases of different rotation angles. Experimental results of corner reflectors and an aircraft model based on a 330-GHz linear frequency-modulated continuous wave (LFMCW) radar system validated the necessity and effectiveness of the proposed compensation. By comparing the experimental images obtained under plane-wave assumption and spherical-wave correction, it also showed to be highly consistent with the analytic criteria we derived.

  7. Electron transport in graphene/graphene side-contact junction by plane-wave multiple-scattering method

    SciTech Connect

    Li, Xiang-Guo; Chu, Iek-Heng; Zhang, X. -G.; Cheng, Hai-Ping

    2015-05-28

    Electron transport in graphene is along the sheet but junction devices are often made by stacking different sheets together in a “side-contact” geometry which causes the current to flow perpendicular to the sheets within the device. Such geometry presents a challenge to first-principles transport methods. We solve this problem by implementing a plane-wave-based multiple-scattering theory for electron transport. In this study, this implementation improves the computational efficiency over the existing plane-wave transport code, scales better for parallelization over large number of nodes, and does not require the current direction to be along a lattice axis. As a first application, we calculate the tunneling current through a side-contact graphene junction formed by two separate graphene sheets with the edges overlapping each other. We find that transport properties of this junction depend strongly on the AA or AB stacking within the overlapping region as well as the vacuum gap between two graphene sheets. Finally, such transport behaviors are explained in terms of carbon orbital orientation, hybridization, and delocalization as the geometry is varied.

  8. Automated generation of highly accurate, efficient and transferable pseudopotentials

    NASA Astrophysics Data System (ADS)

    Hansel, R. A.; Brock, C. N.; Paikoff, B. C.; Tackett, A. R.; Walker, D. G.

    2015-11-01

    A multi-objective genetic algorithm (MOGA) was used to automate a search for optimized pseudopotential parameters. Pseudopotentials were generated using the atomPAW program and density functional theory (DFT) simulations were conducted using the pwPAW program. The optimized parameters were the cutoff radius and projector energies for the s and p orbitals. The two objectives were low pseudopotential error and low computational work requirements. The error was determined from (1) the root mean square difference between the all-electron and pseudized-electron log derivative, (2) the calculated lattice constant versus reference data of Holzwarth et al., and (3) the calculated bulk modulus versus reference potentials. The computational work was defined as the number of flops required to perform the DFT simulation. Pseudopotential transferability was encouraged by optimizing each element in different lattices: (1) nitrogen in GaN, AlN, and YN, (2) oxygen in NO, ZnO, and SiO4, and (3) fluorine in LiF, NaF, and KF. The optimal solutions were equivalent in error and required significantly less computational work than the reference data. This proof-of-concept study demonstrates that the combination of MOGA and ab-initio simulations is a powerful tool that can generate a set of transferable potentials with a trade-off between accuracy (error) and computational efficiency (work).

  9. Forcing scheme in pseudopotential lattice Boltzmann model for multiphase flows.

    PubMed

    Li, Q; Luo, K H; Li, X J

    2012-07-01

    The pseudopotential lattice Boltzmann (LB) model is a widely used multiphase model in the LB community. In this model, an interaction force, which is usually implemented via a forcing scheme, is employed to mimic the molecular interactions that cause phase segregation. The forcing scheme is therefore expected to play an important role in the pseudoepotential LB model. In this paper, we aim to address some key issues about forcing schemes in the pseudopotential LB model. First, theoretical and numerical analyses will be made for Shan-Chen's forcing scheme [Shan and Chen, Phys. Rev. E 47, 1815 (1993)] and the exact-difference-method forcing scheme [Kupershtokh et al., Comput. Math. Appl. 58, 965 (2009)]. The nature of these two schemes and their recovered macroscopic equations will be shown. Second, through a theoretical analysis, we will reveal the physics behind the phenomenon that different forcing schemes exhibit different performances in the pseudopotential LB model. Moreover, based on the analysis, we will present an improved forcing scheme and numerically demonstrate that the improved scheme can be treated as an alternative approach to achieving thermodynamic consistency in the pseudopotential LB model. PMID:23005565

  10. Band structure of W and Mo by empirical pseudopotential method

    NASA Technical Reports Server (NTRS)

    Sridhar, C. G.; Whiting, E. E.

    1977-01-01

    The empirical pseudopotential method (EPM) is used to calculate the band structure of tungsten and molybdenum. Agreement between the calculated reflectivity, density of states, density of states at the Fermi surface and location of the Fermi surface from this study and experimental measurements and previous calculations is good. Also the charge distribution shows the proper topological distribution of charge for a bcc crystal.

  11. Mobile Ultrasound Plane Wave Beamforming on iPhone or iPad using Metal- based GPU Processing

    NASA Astrophysics Data System (ADS)

    Hewener, Holger J.; Tretbar, Steffen H.

    Mobile and cost effective ultrasound devices are being used in point of care scenarios or the drama room. To reduce the costs of such devices we already presented the possibilities of consumer devices like the Apple iPad for full signal processing of raw data for ultrasound image generation. Using technologies like plane wave imaging to generate a full image with only one excitation/reception event the acquisition times and power consumption of ultrasound imaging can be reduced for low power mobile devices based on consumer electronics realizing the transition from FPGA or ASIC based beamforming into more flexible software beamforming. The massive parallel beamforming processing can be done with the Apple framework "Metal" for advanced graphics and general purpose GPU processing for the iOS platform. We were able to integrate the beamforming reconstruction into our mobile ultrasound processing application with imaging rates up to 70 Hz on iPad Air 2 hardware.

  12. Effect of rotation and imperfection on reflection and transmission of plane waves in anisotropic generalized thermoelastic media

    NASA Astrophysics Data System (ADS)

    Kumar, Rajneesh; Singh, Manjeet

    2009-07-01

    The present investigation is concerned with the propagation of plane waves at an imperfectly bonded interface of two orthotropic generalized thermoelastic rotating half-spaces with different elastic and thermal properties. The thermoelastic theory with one relaxation time developed by Lord and Shulman [A generalized dynamical theory of thermoelasticity, J. Mech. Phys. Solids 15 (1967) 299-309] is used to study the problem. The reflection and transmission coefficients of Quasi Longitudinal (QL-) wave, Quasi Thermal (T-mode) wave and Quasi Transverse (QT-) wave have been derived. The effect of rotation has been studied on the velocities of different waves. Some special cases of boundaries i.e. normal stiffness, transverse stiffness, thermal contact conductance, slip boundary and welded contact boundary have been deduced from an imperfect one. Impact of different boundaries has been studied graphically. It is observed that thermal properties, rotation and imperfect boundary have significant effect on the propagation of waves.

  13. Coherent quantum states of a relativistic particle in an electromagnetic plane wave and a parallel magnetic field

    SciTech Connect

    Colavita, E.; Hacyan, S.

    2014-03-15

    We analyze the solutions of the Klein–Gordon and Dirac equations describing a charged particle in an electromagnetic plane wave combined with a magnetic field parallel to the direction of propagation of the wave. It is shown that the Klein–Gordon equation admits coherent states as solutions, while the corresponding solutions of the Dirac equation are superpositions of coherent and displaced-number states. Particular attention is paid to the resonant case in which the motion of the particle is unbounded. -- Highlights: •We study a relativistic electron in a particular electromagnetic field configuration. •New exact solutions of the Klein–Gordon and Dirac equations are obtained. •Coherent and displaced number states can describe a relativistic particle.

  14. Exact off-resonance near fields of small-size extended hemielliptic 2-D lenses illuminated by plane waves.

    PubMed

    Boriskin, Artem V; Sauleau, Ronan; Nosich, Alexander I

    2009-02-01

    The near fields of small-size extended hemielliptic lenses made of rexolite and isotropic quartz and illuminated by E- and H-polarized plane waves are studied. Variations in the focal domain size, shape, and location are reported versus the angle of incidence of the incoming wave. The problem is solved numerically in a two-dimensional formulation. The accuracy of results is guaranteed by using a highly efficient numerical algorithm based on the combination of the Muller boundary integral equations, the method of analytical regularization, and the trigonometric Galerkin discretization scheme. The analysis fully accounts for the finite size of the lens as well as its curvature and thus can be considered as a reference solution for other electromagnetic solvers. Moreover, the trusted description of the focusing ability of a finite-size hemielliptic lens can be useful in the design of antenna receivers. PMID:19183675

  15. Multipartite nonlocality distillation

    SciTech Connect

    Hsu, Li-Yi; Wu, Keng-Shuo

    2010-11-15

    The stronger nonlocality than that allowed in quantum theory can provide an advantage in information processing and computation. Since quantum entanglement is distillable, can nonlocality be distilled in the nonsignalling condition? The answer is positive in the bipartite case. In this article the distillability of the multipartite nonlocality is investigated. We propose a distillation protocol solely exploiting xor operations on output bits. The probability-distribution vectors and matrix are introduced to tackle the correlators. It is shown that only the correlators with extreme values can survive the distillation process. As the main result, the amplified nonlocality cannot maximally violate any Bell-type inequality. Accordingly, a distillability criterion in the postquantum region is proposed.

  16. Making space for nonlocality

    NASA Astrophysics Data System (ADS)

    Millen, James

    2016-04-01

    George Musser's book Spooky Action at a Distance focuses on one of quantum physics' more challenging concepts, nonlocality, and its multitude of implications, particularly its assault on space itself.

  17. Effects on the Electromagnetic Scattering of a Plane Wave due to the Surface Roughness of a Buried Perfectly Conducting Pipeline

    NASA Astrophysics Data System (ADS)

    Frezza, Fabrizio; Mangini, Fabio; Stoja, Endri; Tedeschi, Nicola

    2013-04-01

    In this work we present a numerical study of the effects that can be observed in the electromagnetic scattering of a plane wave due to the surface roughness of a buried scatterer. The latter is supposed to be a metallic pipeline modeled as a perfect-electric conducting cylinder immersed in a half-space occupied by a lossy medium. Considering the pipeline's cross-section, the surface roughness is modeled as a sinusoidal variation of the radius of the cylinder's surface with respect to the revolution angle. A linearly-polarized plane wave impinging normally to the interface between air and the previously-mentioned medium excites the structure. As a result, we monitor the three components of the scattered electric field along a line just above the interface between the two media. To perform the study, a commercially available simulator which implements the Finite Element Method was adopted. In order to discriminate the effects due only to the surface roughness, we compare the results obtained by the rough surface scatterers with the reference case of a perfect cylinder in which the surface roughness is absent, for a fixed depth and a fixed mean radius of the cylinder. In our study, we vary the amplitude and the angular frequency of the sinusoidal disturbance to model different surface roughness scenarios. For all the scenarios taken in consideration, a frequency sweep of the impinging radiation is performed. This allows us to investigate the relation between the excitation frequency and the sinusoidal disturbance frequency of the rough surface. The study has several implications in the field of civil engineering. One example might be the one in which the geometrical characteristics of the buried pipeline are known in advance, and it is important to continuously monitor the structural variations of its external surface due to the deterioration in time under the action of various environmental factors.

  18. Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids.

    PubMed

    Maintz, Stefan; Deringer, Volker L; Tchougréeff, Andrei L; Dronskowski, Richard

    2013-11-01

    Quantum-chemical computations of solids benefit enormously from numerically efficient plane-wave (PW) basis sets, and together with the projector augmented-wave (PAW) method, the latter have risen to one of the predominant standards in computational solid-state sciences. Despite their advantages, plane waves lack local information, which makes the interpretation of local densities-of-states (DOS) difficult and precludes the direct use of atom-resolved chemical bonding indicators such as the crystal orbital overlap population (COOP) and the crystal orbital Hamilton population (COHP) techniques. Recently, a number of methods have been proposed to overcome this fundamental issue, built around the concept of basis-set projection onto a local auxiliary basis. In this work, we propose a novel computational technique toward this goal by transferring the PW/PAW wavefunctions to a properly chosen local basis using analytically derived expressions. In particular, we describe a general approach to project both PW and PAW eigenstates onto given custom orbitals, which we then exemplify at the hand of contracted multiple-ζ Slater-type orbitals. The validity of the method presented here is illustrated by applications to chemical textbook examples-diamond, gallium arsenide, the transition-metal titanium-as well as nanoscale allotropes of carbon: a nanotube and the C60 fullerene. Remarkably, the analytical approach not only recovers the total and projected electronic DOS with a high degree of confidence, but it also yields a realistic chemical-bonding picture in the framework of the projected COHP method. PMID:24022911

  19. Extension of the basis set of linearized augmented plane wave (LAPW) method by using supplemented tight binding basis functions.

    PubMed

    Nikolaev, A V; Lamoen, D; Partoens, B

    2016-07-01

    In order to increase the accuracy of the linearized augmented plane wave (LAPW) method, we present a new approach where the plane wave basis function is augmented by two different atomic radial components constructed at two different linearization energies corresponding to two different electron bands (or energy windows). We demonstrate that this case can be reduced to the standard treatment within the LAPW paradigm where the usual basis set is enriched by the basis functions of the tight binding type, which go to zero with zero derivative at the sphere boundary. We show that the task is closely related with the problem of extended core states which is currently solved by applying the LAPW method with local orbitals (LAPW+LO). In comparison with LAPW+LO, the number of supplemented basis functions in our approach is doubled, which opens up a new channel for the extension of the LAPW and LAPW+LO basis sets. The appearance of new supplemented basis functions absent in the LAPW+LO treatment is closely related with the existence of the u̇l-component in the canonical LAPW method. We discuss properties of additional tight binding basis functions and apply the extended basis set for computation of electron energy bands of lanthanum (face and body centered structures) and hexagonal close packed lattice of cadmium. We demonstrate that the new treatment gives lower total energies in comparison with both canonical LAPW and LAPW+LO, with the energy difference more pronounced for intermediate and poor LAPW basis sets. PMID:27394093

  20. Electromagnetic scattering by a buried sphere in a lossy medium of an inhomogeneous plane wave at arbitrary incidence: spectral-domain method.

    PubMed

    Frezza, F; Mangini, F

    2016-05-01

    A rigorous theoretical treatment to analyze the electromagnetic scattering of an inhomogeneous elliptically polarized plane wave by a sphere buried in a lossy half-space is presented. To consider the losses in the media an inhomogeneous plane wave is considered. The incident and the scattered electric field components are expanded in series of vectorial spherical harmonics using the Legendre functions generalized via hypergeometrical and gamma functions, with unknown expansion coefficients. The spectral-domain method to represent the scattered electric field is used in order to compute the scattered-reflected and scattered-transmitted fields, considering the reflection and transmission of each elementary plane wave by the interface. Finally, the unknown coefficients of the scattered field are computed by imposing the boundary condition on the spherical surface. In order to validate the model, a homemade code has been implemented. Comparisons with the simulations performed with a commercial software and the results in the literature are presented. PMID:27140892

  1. Expressions for Form Factors for Inelastic Scattering and Charge Exchange in Plane-Wave, Distorted-Wave, and Coupled-Channels Reaction Formalisms

    SciTech Connect

    Dietrich, F S

    2006-09-25

    This document is intended to facilitate calculation of inelastic scattering and charge-exchange cross sections in a variety of reaction models, including the plane-wave and distorted-wave approximations and the full coupled-channels treatments. Expressions are given for the coupling potentials between the relevant channels in both coordinate and momentum space. In particular, it is expected that the plane-wave calculations should be useful as a check on the correctness of coupled-channels calculations. The Fourier transform methods used to calculate the plane-wave approximation cross sections are also intended to be used to generate the transition potentials for coupled-channels codes, using a folding model with local effective interactions. Specific expressions are given for calculating transition densities for the folding model in the random phase approximation (RPA).

  2. The electrical transport properties of liquid Rb using pseudopotential theory

    SciTech Connect

    Patel, A. B. Bhatt, N. K. Thakore, B. Y. Jani, A. R.; Vyas, P. R.

    2014-04-24

    Certain electric transport properties of liquid Rb are reported. The electrical resistivity is calculated by using the self-consistent approximation as suggested by Ferraz and March. The pseudopotential due to Hasegawa et al for full electron-ion interaction, which is valid for all electrons and contains the repulsive delta function due to achieve the necessary s-pseudisation was used for the calculation. Temperature dependence of structure factor is considered through temperature dependent potential parameter in the pair potential. Finally, thermo-electric power and thermal conductivity are obtained. The outcome of the present study is discussed in light of other such results, and confirms the applicability of pseudopotential at very high temperature via temperature dependent pair potential.

  3. The electrical transport properties of liquid Rb using pseudopotential theory

    NASA Astrophysics Data System (ADS)

    Patel, A. B.; Bhatt, N. K.; Thakore, B. Y.; Vyas, P. R.; Jani, A. R.

    2014-04-01

    Certain electric transport properties of liquid Rb are reported. The electrical resistivity is calculated by using the self-consistent approximation as suggested by Ferraz and March. The pseudopotential due to Hasegawa et al for full electron-ion interaction, which is valid for all electrons and contains the repulsive delta function due to achieve the necessary s-pseudisation was used for the calculation. Temperature dependence of structure factor is considered through temperature dependent potential parameter in the pair potential. Finally, thermo-electric power and thermal conductivity are obtained. The outcome of the present study is discussed in light of other such results, and confirms the applicability of pseudopotential at very high temperature via temperature dependent pair potential.

  4. Pseudopotentials for quantum Monte Carlo calculations of transition metal oxides

    NASA Astrophysics Data System (ADS)

    Krogel, Jaron; Santana, Juan; Kent, Paul; Reboredo, Fernando

    2015-03-01

    Quantum Monte Carlo calculations of transition metal oxides are partially limited by the availability of high quality pseudopotentials that are both accurate in QMC and compatible with major electronic structure codes, e.g. by not being overly hard in the standard planewave basis. Following insight gained from recent GW calculations, a set of neon core pseudopotentials with small cutoff radii have been created for the early transition metal elements Sc to Zn within the local density approximation of DFT. The pseudopotentials have been tested for energy consistency within QMC by calculating the first through fourth ionization potentials of the isolated transition metal (TM) atoms and the binding curve of each TM-O dimer. The vast majority of the ionization potentials fall within 0.3 eV of the experimental values, with exceptions occurring mainly for atoms with multiple unpaired d electrons where multireference effects are the strongest. The equilibrium bond lengths of the dimers are within 1% of experimental values and the binding energy errors are typically less than 0.3 eV. Given the uniform treatment of the core, the larger deviations occasionally observed may primarily reflect the limitations of a Slater-Jastrow trial wavefunction. This work is supported by the Materials Sciences & Engineering Division of the Office of Basic Energy Sciences, U.S. DOE. Research by PRCK was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility.

  5. A generalized nonlocal vector calculus

    NASA Astrophysics Data System (ADS)

    Alali, Bacim; Liu, Kuo; Gunzburger, Max

    2015-10-01

    A nonlocal vector calculus was introduced in Du et al. (Math Model Meth Appl Sci 23:493-540, 2013) that has proved useful for the analysis of the peridynamics model of nonlocal mechanics and nonlocal diffusion models. A formulation is developed that provides a more general setting for the nonlocal vector calculus that is independent of particular nonlocal models. It is shown that general nonlocal calculus operators are integral operators with specific integral kernels. General nonlocal calculus properties are developed, including nonlocal integration by parts formula and Green's identities. The nonlocal vector calculus introduced in Du et al. (Math Model Meth Appl Sci 23:493-540, 2013) is shown to be recoverable from the general formulation as a special example. This special nonlocal vector calculus is used to reformulate the peridynamics equation of motion in terms of the nonlocal gradient operator and its adjoint. A new example of nonlocal vector calculus operators is introduced, which shows the potential use of the general formulation for general nonlocal models.

  6. Enhanced plane wave expansion analysis for the band structure of bulk modes in two-dimensional high-contrast solid-solid phononic crystals

    NASA Astrophysics Data System (ADS)

    Baboly, Mohammadhosein Ghasemi; Soliman, Yasser; Su, Mehmet F.; Reinke, Charles M.; Leseman, Zayd C.; El-Kady, Ihab

    2014-11-01

    Plane wave expansion analyses that use the inverse rule to obtain the Fourier coefficients of the elastic tensor instead of the more conventional Laurent's rule, exhibit faster convergence rates for solid-solid phononic crystals. In this work, the band structure convergence of calculations using the inverse rule is investigated and applied to the case of high acoustic impedance contrast solid-solid phononic crystals, previously known for convergence difficulties. Results are contrasted to those obtained with the conventional plane wave expansion method. The inverse rule is found to converge at a much rate for all ranges of impedance contrast, and the ratio between the computational times needed to obtain a convergent band structure for a high-contrast solid-solid phononic crystal with the conventional plane wave expansion method using 1369 reciprocal lattice vectors is as large as 6800:1. This ratio decreases for material sets with lower impedance contrast; however, the inverse rule is still faster for a given error threshold for even the lowest impedance contrast phononic crystals reported in the literature. This convergence enhancement is a major factor in reconsidering the plane wave expansion method as an important tool in obtaining propagating elastic modes in phononic crystals.

  7. Departures from plane-wave-like coupling to a Maverick missile in the radiating near-field region of a horn antenna

    NASA Astrophysics Data System (ADS)

    Voss, D. E.; Koslover, R. A.; Cremer, C. D.; Silvestro, J.; Miner, L. M.

    1990-05-01

    The High Power Microwaves (HPM) susceptibility testing often requires irradiating test objects at the highest fluences possible. For aperture antennas, the highest fluences are generally found in the radiating near field region. For valid effects testing, the energy coupled to the object interior must accurately replicate that which would occur in a true weapon environment (plane wave illumination). Some believe that valid testing requires object placement at distances from the aperture exceeding 2 D squared/lambda (D=antenna effective diameter). Many also believe testing at farther away than 2 D squared/lambda guarantees plane wave-like coupling conditions. Neither view is correct. Testing in the reactive field region (less than lambda from the aperture) is generally invalid due to dominance of reactive coupling. For testing in the radiating near field, determination of validity is less trivial. An investigation was performed quantifying deviations from plane wave coupling. The measurements, using an instrumented Maverick missile in an anechoic chamber, and supported by theory, indicate conditions for which testing the Maverick missile accurately simulates plane wave coupling.

  8. Analytically reduced form for the class of integrals containing multicenter products of 1s hydrogenic orbitals, Coulomb or Yukawa potentials, and plane waves

    NASA Technical Reports Server (NTRS)

    Straton, Jack C.

    1989-01-01

    The class of integrals containing the product of N 1s hydrogenic orbitals and M Coulomb or Yukawa potentials with m plane waves is investigated analytically. The results obtained by Straton (1989) are extended and generalized. It is shown that the dimensionality of the entire class can be reduced from 3m to M+N-1.

  9. Electron Correlation in the Condensed Phase from a Resolution of Identity Approach Based on the Gaussian and Plane Waves Scheme.

    PubMed

    Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost

    2013-06-11

    The second-order Møller-Plesset perturbation energy (MP2) and the Random Phase Approximation (RPA) correlation energy are increasingly popular post-Kohn-Sham correlation methods. Here, a novel algorithm based on a hybrid Gaussian and Plane Waves (GPW) approach with the resolution-of-identity (RI) approximation is developed for MP2, scaled opposite-spin MP2 (SOS-MP2), and direct-RPA (dRPA) correlation energies of finite and extended system. The key feature of the method is that the three center electron repulsion integrals (μν|P) necessary for the RI approximation are computed by direct integration between the products of Gaussian basis functions μν and the electrostatic potential arising from the RI fitting densities P. The electrostatic potential is obtained in a plane waves basis set after solving the Poisson equation in Fourier space. This scheme is highly efficient for condensed phase systems and offers a particularly easy way for parallel implementation. The RI approximation allows to speed up the MP2 energy calculations by a factor 10 to 15 compared to the canonical implementation but still requires O(N(5)) operations. On the other hand, the combination of RI with a Laplace approach in SOS-MP2 and an imaginary frequency integration in dRPA reduces the computational effort to O(N(4)) in both cases. In addition to that, our implementations have low memory requirements and display excellent parallel scalability up to tens of thousands of processes. Furthermore, exploiting graphics processing units (GPU), a further speedup by a factor ∼2 is observed compared to the standard only CPU implementations. In this way, RI-MP2, RI-SOS-MP2, and RI-dRPA calculations for condensed phase systems containing hundreds of atoms and thousands of basis functions can be performed within minutes employing a few hundred hybrid nodes. In order to validate the presented methods, various molecular crystals have been employed as benchmark systems to assess the performance, while

  10. Quantum networks reveal quantum nonlocality.

    PubMed

    Cavalcanti, Daniel; Almeida, Mafalda L; Scarani, Valerio; Acín, Antonio

    2011-01-01

    The results of local measurements on some composite quantum systems cannot be reproduced classically. This impossibility, known as quantum nonlocality, represents a milestone in the foundations of quantum theory. Quantum nonlocality is also a valuable resource for information-processing tasks, for example, quantum communication, quantum key distribution, quantum state estimation or randomness extraction. Still, deciding whether a quantum state is nonlocal remains a challenging problem. Here, we introduce a novel approach to this question: we study the nonlocal properties of quantum states when distributed and measured in networks. We show, using our framework, how any one-way entanglement distillable state leads to nonlocal correlations and prove that quantum nonlocality is a non-additive resource, which can be activated. There exist states, local at the single-copy level, that become nonlocal when taking several copies of them. Our results imply that the nonlocality of quantum states strongly depends on the measurement context. PMID:21304513

  11. Unstable nonlocal interface dynamics.

    PubMed

    Nicoli, Matteo; Cuerno, Rodolfo; Castro, Mario

    2009-06-26

    Nonlocal effects occur in many nonequilibrium interfaces, due to diverse physical mechanisms like diffusive, ballistic, or anomalous transport, with examples from flame fronts to thin films. While dimensional analysis describes stable nonlocal interfaces, we show the morphologically unstable condition to be nontrivial. This is the case for a family of stochastic equations of experimental relevance, paradigmatically including the Michelson-Sivashinsky system. For a whole parameter range, the asymptotic dynamics is scale invariant with dimension-independent exponents reflecting a hidden Galilean symmetry. The usual Kardar-Parisi-Zhang nonlinearity, albeit irrelevant in that parameter range, plays a key role in this behavior. PMID:19659099

  12. Force method in a pseudo-potential lattice Boltzmann model

    NASA Astrophysics Data System (ADS)

    Hu, Anjie; Li, Longjian; Uddin, Rizwan

    2015-08-01

    Single component pseudo-potential lattice Boltzmann models have been widely studied due to their simplicity and stability in multiphase simulations. While numerous models have been proposed, comparative analysis and advantages and disadvantages of different force schemes are often lacking. A pseudo-potential model to simulate large density ratios proposed by Kupershtokh et al. [1] is analyzed in detail in this work. Several common used force schemes are utilized and results compared. Based on the numerical results, the relatively most accurate force scheme proposed by Guo et al. [2] is selected and applied to improve the accuracy of Kupershtokh et al.'s model. Results obtained using the modified Kupershtokh et al.'s model [1] for different value of τ are compared with those obtained using Li et al.'s model [3]. Effect of relaxation time τ on the accuracy of the results is reported. Moreover, it is noted that the error in the density ratio predicted by the model is directly correlated with the magnitude of the spurious velocities on (curved) interfaces. Simulation results show that, the accuracy of Kupershtokh et al.'s model can be improved with Guo et al.'s force scheme [2]. However, the errors and τ's effects are still noticeable when density ratios are large. To improve the accuracy of the pseudo-potential model and to reduce the effects of τ, two possible methods were discussed in the present work. Both, a rescaling of the equation of state and multi-relaxation time, are applied and are shown to improve the prediction of the density ratios.

  13. Simulation of the pressure field beneath a turbulent boundary layer using realizations of uncorrelated wall plane waves.

    PubMed

    Maxit, Laurent

    2016-08-01

    This paper investigates the modeling of a vibrating structure excited by a turbulent boundary layer (TBL). Although the wall pressure field (WPF) of the TBL constitutes a random excitation, the element-based methods generally used for describing complex mechanical structures consider deterministic loads. The response of such structures to a random excitation like TBL is generally deduced from calculations of numerous Frequency Response Functions. Consequently, the process is computationally expansive. To tackle this issue, an efficient process is proposed for generating realizations of the WPF corresponding to the TBL. This process is based on a formulation of the problem in the wavenumber space and the interpretation of the WPF as uncorrelated wall plane waves. Once the WPF has been synthesized, the local vibroacoustic responses are calculated for the different realizations and averaged together in the last step. A numerical application of this process to a plate located beneath a TBL is used to verify its efficiency and ability to reproduce the partial space correlation of the excitation. To further illustrate the proposed method, a stiffened panel modeled using the finite element method is finally examined. PMID:27586754

  14. E-field extraction from Hx- and Hy- near field values by using plane wave spectrum method

    NASA Astrophysics Data System (ADS)

    Ravelo, B.; Riah, Z.; Baudry, D.; Mazari, B.

    2011-01-01

    This paper deals with a technique for calculating the 3D E-field components knowing only the two components (Hx and Hy) of the H-field in near-zone. The originality of the under study technique lies on the possibility to take into account the evanescent wave influences. The presented E-field extraction process is based on the exploitation of the Maxwell-Ampere relation combined with the plane wave spectrum (PWS) method. The efficiency of the proposed technique is evidenced by comparing the E-field deduced from H-field and the own E-field radiated by the association of electrical- and also magnetic- elementary dipoles in different configurations by using Matlab text programming environment. In addition, as a concrete demonstrator, the concept was also validated with the computation of EM-wave radiated by an open-end microstrip transmission line. As result of comparison, very good agreement between the exact E-field and that one extracted from the H-field was realized by considering the near-field scanned at the height, z = 5 mm and 8 mm above the under test structure at the operating frequency, f = 1 GHz. The presented technique can simplify the difficulties about the E-near-field measurement in EMC applications.

  15. Variational solution of the Schrödinger equation using plane waves in adaptive coordinates: The radial case.

    PubMed

    Pérez-Jordá, José M

    2010-01-14

    A new method for solving the Schrödinger equation is proposed, based on the following details. First, a map u=u(r) from Cartesian coordinates r to a new coordinate system u is chosen. Second, the solution (orbital) psi(r) is written in terms of a function U depending on u so that psi(r)=/J(u)/(-1/2)U(u), where /J(u)/ is the Jacobian determinant of the map. Third, U is expressed as a linear combination of plane waves in the u coordinate, U(u)= sum (k)c(k)e(ik x u). Finally, the coefficients c(k) are variationally optimized to obtain the best energy, using a generalization of an algorithm originally developed for the Coulomb potential [J. M. Perez-Jorda, Phys. Rev. B 58, 1230 (1998)]. The method is tested for the radial Schrödinger equation in the hydrogen atom, resulting in micro-Hartree accuracy or better for the energy of ns and np orbitals (with n up to 5) using expansions of moderate length. PMID:20095666

  16. Assessment of induced SAR in children exposed to electromagnetic plane waves between 10 MHz and 5.6 GHz

    NASA Astrophysics Data System (ADS)

    Bakker, J. F.; Paulides, M. M.; Christ, A.; Kuster, N.; van Rhoon, G. C.

    2010-06-01

    To avoid potentially adverse health effects of electromagnetic fields (EMF), the International Commission on Non-Ionizing Radiation Protection (ICNIRP) has defined EMF reference levels from the basic restrictions on the induced whole-body-averaged specific absorption rate (SARwb) and the peak 10 g spatial-averaged SAR (SAR10g). The objective of this study is to assess if the SAR in children remains below the basic restrictions upon exposure at the reference levels. Finite difference time domain (FDTD) modeling was used to calculate the SAR in six children and two adults when exposed to all 12 orthogonal plane wave configurations. A sensitivity study showed an expanded uncertainty of 53% (SARwb) and 58% (SAR10g) due to variations in simulation settings and tissue properties. In this study, we found that the basic restriction on the SARwb is occasionally exceeded for children, up to a maximum of 45% in small children. The maximum SAR10g values, usually found at body protrusions, remain under the limit for all scenarios studied. Our results are in good agreement with the literature, suggesting that the recommended ICNIRP reference levels may need fine tuning.

  17. Self-consistent linearized augmented-plane-wave study of the electronic structure and superconductivity of fcc lanthanum under pressure

    NASA Astrophysics Data System (ADS)

    Pickett, Warren E.; Freeman, A. J.; Koelling, D. D.

    1980-09-01

    We report the results of a linearized augmented-plane-wave calculation of the electronic structure of fcc La at three lattice constants corresponding to ambient pressure, 50, and 120 kbars. The Kohn-Sham-Gáspar approximation for exchange and correlation is used and the potential is allowed a fully non-muffin-tin form. The f bands lie ~2-2.5 eV above the Fermi level and are ~1 eV wide, resulting in a very small (0.05 electrons) localized f occupation. Under pressure the f bands rise and broaden appreciably, resulting in only a slight increase in f occupation. The rigid-muffin-tin approximation for the electron-phonon interaction λ overestimates the superconducting transition temperature Tc by 40%, but we find that the drastic increase in Tc under pressure can be attributed primarily to changes in the electronic stiffness η. Structural transitions which occur at 25 and 53 kbars may be related to changes in Fermi-surface topology which we find to occur approximately at these pressures.

  18. Assessment of induced SAR in children exposed to electromagnetic plane waves between 10 MHz and 5.6 GHz.

    PubMed

    Bakker, J F; Paulides, M M; Christ, A; Kuster, N; van Rhoon, G C

    2010-06-01

    To avoid potentially adverse health effects of electromagnetic fields (EMF), the International Commission on Non-Ionizing Radiation Protection (ICNIRP) has defined EMF reference levels from the basic restrictions on the induced whole-body-averaged specific absorption rate (SAR(wb)) and the peak 10 g spatial-averaged SAR (SAR(10g)). The objective of this study is to assess if the SAR in children remains below the basic restrictions upon exposure at the reference levels. Finite difference time domain (FDTD) modeling was used to calculate the SAR in six children and two adults when exposed to all 12 orthogonal plane wave configurations. A sensitivity study showed an expanded uncertainty of 53% (SAR(wb)) and 58% (SAR(10g)) due to variations in simulation settings and tissue properties. In this study, we found that the basic restriction on the SAR(wb) is occasionally exceeded for children, up to a maximum of 45% in small children. The maximum SAR(10g) values, usually found at body protrusions, remain under the limit for all scenarios studied. Our results are in good agreement with the literature, suggesting that the recommended ICNIRP reference levels may need fine tuning. PMID:20463374

  19. Saturation and the limit of jet mixing enhancement by single frequency plane wave excitation - Experiment and theory

    NASA Technical Reports Server (NTRS)

    Raman, Ganesh; Rice, Edward J.; Mankbadi, Reda R.

    1988-01-01

    The limitations of single frequency plane wave excitation in mixing enhancement are investigated for a circular jet. Measurements made in an 8.8 cm diameter jet are compared with a theoretical model. The measurements are made to quantify mixing at excitation amplitudes up to 2 percent of the jet exit velocity. The initial boundary layer state, the exit mean and fluctuating velocity profiles and spectra are documented for all cases considered. The amplitude of the fundamental wave is recorded along the jet axis for various levels of excitation. As the amplitude of excitation is increased the jet spreading rate is increased, but beyond a saturation amplitude further increases have no effect on the spreading. The experimental results are compared with theoretical estimates. In the theory the flow is split into the mean flow, large scale motions, and fine scale turbulence. Shape assumptions for the mean flow, and fine scale turbulence along with the shape for the large scale motions obtained from a linear stability theory provide the closure. The experimental results compare reasonably well with predictions.

  20. Saturation and the limit of jet mixing enhancement by single frequency plane wave excitation: Experiment and theory

    NASA Technical Reports Server (NTRS)

    Raman, Ganesh; Rice, Edward J.; Mankbadi, Reda R.

    1988-01-01

    The limitations of single frequency plane wave excitation in mixing enhancement are investigated for a circular jet. Measurements made in an 8.8 cm diameter jet are compared with a theoretical model. The measurements are made to quantify mixing at excitation amplitudes up to 2 percent of the jet exit velocity. The initial boundary layer state, the exit mean and fluctuating velocity profiles and spectra are documented for all cases considered. The amplitude of the fundamental wave is recorded along the jet axis for various levels of excitation. As the amplitude of excitation is increased the jet spreading rate is increased, but beyond a saturation amplitude further increases have no effect on the spreading. The experimental results are compared with theoretical estimates. In the theory the flow is split into the mean flow, large scale motions, and fine scale turbulence. Shape assumptions for the mean flow, and fine scale turbulence along with the shape for the large scale motions obtained from a linear stability theory provide the closure. The experimental results compare reasonably well with predictions.

  1. Induced EM field in a layered eccentric spheres model of the head: Plane-wave and localized source exposure

    SciTech Connect

    Skaropoulos, N.C.; Ioannidou, M.P.; Chrissoulidis, D.P.

    1996-10-01

    Understanding the interaction of EM radiation with humans is essential in a number of contemporary applications. Special attention is paid to the absorption of EM energy by the human head, which exhibits a resonant behavior in the frequency band 0.1--3 GHz. The use of handheld transceivers for wireless communications, which operate in close proximity to the head, has raised safety-related questions and questions concerning the effect of the head on the performance of the mobile phone antenna. The induced electromagnetic (EM) field in a layered eccentric spheres structure is determined through a concise analytical formulation based on indirect mode-matching (IMM). The exact analytical solution is applied to a six-layer model of the head. This model allows for eccentricity between the inner and outer sets of concentric spherical layers which simulate brain and skull, respectively. Excitation is provided by a nearby localized source or by an incident plane wave. The numerical application provides information about the total absorbed power, the absorption in each layer, and the spatial distribution of the specific absorption rate (SAR) at frequencies used by cellular phones. The effects of excitation frequency, eccentricity, exposure configuration, and antenna-head separation are investigated.

  2. Teaching Quantum Nonlocality

    ERIC Educational Resources Information Center

    Hobson, Art

    2012-01-01

    Nonlocality arises from the unified "all or nothing" interactions of a spatially extended field quantum such as a photon or an electron. In the double-slit experiment with light, for example, each photon comes through both slits and arrives at the viewing screen as an extended but unified energy bundle or "field quantum." When the photon interacts…

  3. Power deposition in the head and neck of an anatomically based human body model for plane wave exposures

    NASA Astrophysics Data System (ADS)

    Tinniswood, A. D.; Furse, C. M.; Gandhi, O. P.

    1998-08-01

    At certain frequencies, when the human head becomes a resonant structure, the power absorbed by the head and neck, when the body is exposed to a vertically polarized plane wave propagating from front to back, becomes significantly larger than would ordinarily be expected from its shadow cross section. This has possible implications in the study of the biological effects of electromagnetic fields. Additionally the frequencies at which these resonances occur are not readily predicted by simple approximations of the head in isolation. In order to determine these resonant conditions an anatomically based model of the whole human body has been used, with the finite-difference time-domain (FDTD) algorithm to accurately determine field propagation, specific absorption rate (SAR) distributions and power absorption in both the whole body and the head region (head and neck). This paper shows that resonant frequencies can be determined using two methods. The first is by use of the accurate anatomically based model (with heterogeneous tissue properties) and secondly using a model built from parallelepiped sections (for the torso and legs), an ellipsoid for the head and a cylinder for the neck. This approximation to the human body is built from homogeneous tissue the equivalent of two-thirds the conductivity and dielectric constant of that of muscle. An IBM SP-2 supercomputer together with a parallel FDTD code has been used to accommodate the large problem size. We find resonant frequencies for the head and neck at 207 MHz and 193 MHz for the isolated and grounded conditions, with absorption cross sections that are respectively 3.27 and 2.62 times the shadow cross section.

  4. Demonstration of a 280  Gbit/s free-space space-division-multiplexing communications link utilizing plane-wave spatial multiplexing.

    PubMed

    Lavery, Martin P J; Huang, Hao; Ren, Yongxiong; Xie, Guodong; Willner, Alan E

    2016-03-01

    We demonstrate a 280 Gbit/s free-space space-division-multiplexing communications link incorporating a set of independent tilted truncated plane-waves, each generated by a single mode fiber placed at the back-focal plane of a spherical lens. Each of the seven tilted plane-wave channels are encoded with a 40 Gbit/s 16-QAM signal. Our approach comprises two identical linear fiber-arrays placed approximately 5 m apart. As each fiber array is placed at the back-focal-plane of a spherical lens, each fiber array is effectively placed in a conjugate image plane of the other. A channel crosstalk of less than 26 dB is shown, with a bit-error-rate below the FEC threshold of 3.8×10(-3). PMID:26974062

  5. A program to compute EM scattering of plane wave by a perfectly conducting half-plane in a finitely conducting layered half-space

    NASA Astrophysics Data System (ADS)

    Caleb Dhanasekaran, P.; Poddar, M.

    A FORTRAN program utilizing an integral equation calculates 10 field quantities relating to the electromagnetic (EM) scattering of plane wave by a perfectly conducting half-plane buried in a finitely conducting layered half-space. The computing algorithm is executable on a computer of small storage capacity such as PDP 11/40 and as such is useful to many exploration scientists without the facility of a mainframe computer, for computing model curves to interpret field data.

  6. Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals

    NASA Astrophysics Data System (ADS)

    Amadon, B.; Lechermann, F.; Georges, A.; Jollet, F.; Wehling, T. O.; Lichtenstein, A. I.

    2008-05-01

    The description of realistic strongly correlated systems has recently advanced through the combination of density functional theory in the local density approximation (LDA) and dynamical mean field theory (DMFT). This LDA+DMFT method is able to treat both strongly correlated insulators and metals. Several interfaces between LDA and DMFT have been used, such as ( Nth order) linear muffin-tin orbitals or maximally localized Wannier functions. Such schemes are, however, either complex in use or additional simplifications are often performed (i.e., the atomic sphere approximation). We present an alternative implementation of LDA+DMFT , which keeps the precision of the Wannier implementation, but which is lighter. It relies on the projection of localized orbitals onto a restricted set of Kohn-Sham states to define the correlated subspace. The method is implemented within the projector augmented wave and within the mixed-basis pseudopotential frameworks. This opens the way to electronic structure calculations within LDA+DMFT for more complex structures with the precision of an all-electron method. We present an application to two correlated systems, namely, SrVO3 and β -NiS (a charge-transfer material), including ligand states in the basis set. The results are compared to calculations done with maximally localized Wannier functions, and the physical features appearing in the orbitally resolved spectral functions are discussed.

  7. Effect of competing cubic-quintic nonlinearities on the modulational instability in nonlocal Kerr-type media

    NASA Astrophysics Data System (ADS)

    Tagwo, H.; Tiofack, C. G. L.; Dafounansou, O.; Mohamadou, A.; Kofane, T. C.

    2016-03-01

    We investigate analytically and numerically the modulational instability (MI) of plane waves under competing nonlocal cubic-local quintic nonlinearities. The generic properties of the MI gain spectra are then demonstrated for the Gaussian response function, exponential response function, and rectangular response function. Special attention is paid to competing nonlocal cubic-local quintic nonlinearities on the MI. We observe that the focusing local quintic nonlinearity increases the growth rate and bandwidth of instability contrary to the small values of defocusing local quintic nonlinearity which decrease the growth rate and bandwidth of instability. Numerical simulations of the full model equation describing the dynamics of the waves are been carried out and leads to the development of pulse trains, depending upon the sign the quintic nonlinearity.

  8. Tests on novel pseudo-potentials generated from diffusion Monte Carlo data.

    NASA Astrophysics Data System (ADS)

    Reboredo, Fernando; Hood, Randolph; Bajdich, Michal

    2012-02-01

    Since Dmitri Mendeleev developed a table in 1869 to illustrate recurring ("periodic") trends of the elements, it has been understood that most chemical and physical properties can be described by taking into account the outer most electrons of the atoms. These valence electrons are mainly responsible for the chemical bond. In many ab-initio approaches only valence electrons are taken into account and a pseudopotential is used to mimic the response of the core electrons. Typically an all-electron calculation is used to generate a pseudopotential that is used either within density functional theory or quantum chemistry approaches. In this talk we explain and demonstrate a new method to generate pseudopotentials directly from all-electron many-body diffusion Monte Carlo (DMC) calculations and discuss the results of of the transferability of these pseudopotentials. The advantages of incorporating the exchange and correlation directly from DMC into the pseudopotential are also discussed.

  9. Uncertainty-induced quantum nonlocality

    NASA Astrophysics Data System (ADS)

    Wu, Shao-xiong; Zhang, Jun; Yu, Chang-shui; Song, He-shan

    2014-01-01

    Based on the skew information, we present a quantity, uncertainty-induced quantum nonlocality (UIN) to measure the quantum correlation. It can be considered as the updated version of the original measurement-induced nonlocality (MIN) preserving the good computability but eliminating the non-contractivity problem. For 2×d-dimensional state, it is shown that UIN can be given by a closed form. In addition, we also investigate the maximal uncertainty-induced nonlocality.

  10. Nonlocal and quasilocal field theories

    NASA Astrophysics Data System (ADS)

    Tomboulis, E. T.

    2015-12-01

    We investigate nonlocal field theories, a subject that has attracted some renewed interest in connection with nonlocal gravity models. We study, in particular, scalar theories of interacting delocalized fields, the delocalization being specified by nonlocal integral kernels. We distinguish between strictly nonlocal and quasilocal (compact support) kernels and impose conditions on them to insure UV finiteness and unitarity of amplitudes. We study the classical initial value problem for the partial integro-differential equations of motion in detail. We give rigorous proofs of the existence but accompanying loss of uniqueness of solutions due to the presence of future, as well as past, "delays," a manifestation of acausality. In the quantum theory we derive a generalization of the Bogoliubov causality condition equation for amplitudes, which explicitly exhibits the corrections due to nonlocality. One finds that, remarkably, for quasilocal kernels all acausal effects are confined within the compact support regions. We briefly discuss the extension to other types of fields and prospects of such theories.

  11. Pseudopotential theory of interacting roton pairs in superfluid 4He

    NASA Astrophysics Data System (ADS)

    Bedell, K.; Pines, D.; Zawadowski, A.

    1984-01-01

    A configuration-space pseudopotential, which is closely related to that used by Aldrich and Pines to describe the effective interaction between background particles in 3He and 4He, is constructed and used to calculate the roton-roton scattering amplitude. From that amplitude we obtain a theory that is completely congruent with the roton-liquid theory of Bedell, Pines, and Fomin. We calculate two-roton bound states, roton-liquid parameters, and roton lifetimes, as well as information about the hybridization of the two-roton bound state with excitations of higher and lower energy. Excellent agreement between theory and experiment is obtained for the l=2 bound state at zero pair momentum, the roton lifetime, the roton contribution to the normal-fluid viscosity and the normal-fluid density, and the temperature variation of the roton energy. The effective roton-roton coupling parameters at large pair momentum are found to be an order of magnitude larger than those for small or vanishing pair momentum. At SVP we find that a substantial number of two-roton bound states of varying symmetry exist for pair momentum up to ~ 3 Å -1; at standard pressure, however the roton-roton interaction for momenta ~ 1 Å -1 is found to become repulsive, so that both the l=2 bound state at zero pair momentum and bound states at intermediate momenta are predicted to disappear under pressure.

  12. A numerical study for the electromagnetic scattering of an elliptically polarized plane wave by a concentric spherical object in a dissipative medium

    NASA Astrophysics Data System (ADS)

    Frezza, F.; Mangini, F.; Tedeschi, N.

    2012-04-01

    A numerical study for the electromagnetic scattering of an elliptically polarized plane wave by a concentric spherical object in a dissipative medium is presented, implemented in a Matlab code. A truncation criterion of the resolving linear system, and its impact on the accuracy and the numerical efficiency of the code, is established via comparisons with analytical and numerical results reported in the literature. Moreover, the agreement with simulations, performed through a Finite Element Method commercial software (Comsol), is shown, with reference to some typical scenarios of buried sphere detection.

  13. Reflection of electromagnetic plane waves in a long-wavelength approximation from a multilayer system of anisotropic transparent films on absorbing medium

    NASA Astrophysics Data System (ADS)

    Adamson, P.

    The propagation of s- and p-polarised electromagnetic plane waves in a N-layer system of anisotropic films on isotropic and homogeneous absorbing substrate is investigated in the long-wavelength limit. The analytical expressions are obtained for the reflection (transmission) coefficients and ellipsometric angles of an anisotropic multilayer system. All analytical results are correlated with the numerical solution of the reflection problem on the basis of rigorous electromagnetic theory for anisotropic layered systemsE The possibilities of using obtained approximate formulae for resolving the inverse problem for ultrathin anisotropic dielectric films upon absorbing substrates are discussed.

  14. Reflection of electromagnetic plane waves in a long-wavelength approximation from a multilayer system of anisotropic transparent films on non-absorbing isotropic medium

    NASA Astrophysics Data System (ADS)

    Adamson, P.

    2010-07-01

    The reflection of s- and p-polarised electromagnetic plane waves from an N-layer system of anisotropic dielectric films upon transparent homogeneous substrate is investigated in the long-wavelength approximation. The analytical expressions are obtained for the amplitude reflection (transmission) coefficients, reflectances (transmittances), and ellipsometric angles of an anisotropic multilayer thin-film system. All analytical results are in agreement with the numerical solution of the reflection problem for anisotropic stratified medium. The possibilities of using obtained expressions for resolving the inverse problem for ultrathin anisotropic films upon isotropic substrates are discussed.

  15. (1+2)-dimensional strongly nonlocal solitons

    SciTech Connect

    Ouyang Shigen; Guo Qi

    2007-11-15

    Approximate solutions of (1+2)-dimensional strongly nonlocal solitons (SNSs) are presented. It is shown that the power of a SNS in a nematic liquid crystal is in direct proportion to the second power of the degree of nonlocality, the power of a SNS in a nonlocal medium with a logarithmic nonlocal response is in inverse proportion to the second power of its beamwidth, and the power of a SNS in a nonlocal medium with an sth-power decay nonlocal response is in direct proportion to the (s+2)th power of the degree of nonlocality.

  16. Turbulence transport with nonlocal interactions

    SciTech Connect

    Linn, R.R.; Clark, T.T.; Harlow, F.H.; Turner, L.

    1998-03-01

    This preliminary report describes a variety of issues in turbulence transport analysis with particular emphasis on closure procedures that are nonlocal in wave-number and/or physical space. Anomalous behavior of the transport equations for large scale parts of the turbulence spectrum are resolved by including the physical space nonlocal interactions. Direct and reverse cascade processes in wave-number space are given a much richer potential for realistic description by the nonlocal formulations. The discussion also describes issues, many still not resolved, regarding new classes of self-similar form functions.

  17. Nonlocal gravity: Conformally flat spacetimes

    NASA Astrophysics Data System (ADS)

    Bini, Donato; Mashhoon, Bahram

    2016-04-01

    The field equations of the recent nonlocal generalization of Einstein’s theory of gravitation are presented in a form that is reminiscent of general relativity. The implications of the nonlocal field equations are studied in the case of conformally flat spacetimes. Even in this simple case, the field equations are intractable. Therefore, to gain insight into the nature of these equations, we investigate the structure of nonlocal gravity (NLG) in 2D spacetimes. While any smooth 2D spacetime is conformally flat and satisfies Einstein’s field equations, only a subset containing either a Killing vector or a homothetic Killing vector can satisfy the field equations of NLG.

  18. Bounds for nonlocality distillation protocols

    SciTech Connect

    Forster, Manuel

    2011-06-15

    Nonlocality can be quantified by the violation of a Bell inequality. Since this violation may be amplified by local operations, an alternative measure has been proposed--distillable nonlocality. The alternative measure is difficult to calculate exactly due to the double exponential growth of the parameter space. In this paper, we give a way to bound the distillable nonlocality of a resource by the solutions to a related optimization problem. Our upper bounds are exponentially easier to compute than the exact value and are shown to be meaningful in general and tight in some cases.

  19. A proposal for the proper use of pseudopotentials in molecular orbital cluster model studies of chemisorption

    NASA Technical Reports Server (NTRS)

    Bagus, P. S.; Bauschlicher, C. W., Jr.; Nelin, C. J.; Laskowski, B. C.; Seel, M.

    1984-01-01

    The interaction of CO with Cu5, Ni5, and Al4 are treated as model systems for molecular adsorption on metal surfaces. The effect of the use of pseudopotentials for the metal atoms is studied by considering three types of clusters. In the first case, all of the metal electrons are explicitly included in the wave function; an all electron (AE) treatment. In the second case, the metal atom which directly interacts with the CO is described by AE but the remaining metal atoms include a pseudopotential for their core electrons. Finally, in the third case, all of the metal atoms in the cluster have a pseudopotential treatment for the core electrons. The AE cluster results are taken as reference values for the two pseudopotential treatments. The mixed cluster results are in excellent agreement with those of the all AE clusters; however, the results for the all pseudopotential cluster of Ni5CO or of Cu5CO are qualitatively different. The pseudopotential treatment for all of the metal atoms often leads to results that contain serious errors and it is not a reliable approach.

  20. Nonlocal anomalous Hall effect

    NASA Astrophysics Data System (ADS)

    Zhang, Shulei; Vignale, Giovanni

    Anomalous Hall effect (AHE) is a distinctive transport property of ferromagnetic metals arising from spin orbit coupling (SOC) in concert with spontaneous spin polarization. Nonetheless, recent experiments have shown that the effect also appears in a nonmagnetic metal in contact with a magnetic insulator. The main puzzle lies in the apparent absence of spin polarized electrons in the non-magnetic metal. Here, we theoretically demonstrate that the scattering of electrons from a rough metal-insulator interface is generally spin-dependent, which results in mutual conversion between spin and charge currents flowing in the plane of the layer. It is the current-carrying spin polarized electrons and the spin Hall effect in the bulk of the metal layer that conspire to generate the AH current. This novel AHE differs from the conventional one only in the spatial separation of the SOC and the magnetization, so we name it as nonlocal AHE. In contrast to other previously proposed mechanisms (e.g., spin Hall AHE and magnetic proximity effect (MPE)), the nonlocal AHE appears on the first order of spin Hall angle and does not rely on the induced moments in the metal layer, which make it experimentally detectable by contrasting the AH current directions of two layered structures such as Pt/Cu/YIG and β -Ta/Cu/YIG (with a thin inserted Cu layer to eliminate the MPE). We predict that the directions of the AH currents in these two trilayers would be opposite since the spin Hall angles of Pt and β -Ta are of opposite signs. Work supported by NSF Grants DMR-1406568.

  1. High-resolution diffraction microscopy using the plane-wave field of a nearly diffraction limited focused x-ray beam

    SciTech Connect

    Takahashi, Yukio; Nishino, Yoshinori; Ishikawa, Tetsuya; Tsutsumi, Ryosuke; Kubo, Hideto; Furukawa, Hayato; Mimura, Hidekazu; Matsuyama, Satoshi; Zettsu, Nobuyuki; Matsubara, Eiichiro; Yamauchi, Kazuto

    2009-08-01

    X-ray waves in the center of the beam waist of nearly diffraction limited focused x-ray beams can be considered to have amplitude and phase that are both almost uniform, i.e., they are x-ray plane waves. Here we report the results of an experimental demonstration of high-resolution diffraction microscopy using the x-ray plane wave of the synchrotron x-ray beam focused using Kirkpatrik-Baez mirrors. A silver nanocube with an edge length of {approx}100 nm is illuminated with the x-ray beam focused to a {approx}1 {mu}m spot at 12 keV. A high-contrast symmetric diffraction pattern of the nanocube is observed in the forward far field. An image of the nanocube is successfully reconstructed by an iterative phasing method and its half-period resolution is 3.0 nm. This method does not only dramatically improve the spatial resolution of x-ray microscopy but also is a key technology for realizing single-pulse diffractive imaging using x-ray free-electron lasers.

  2. Second-Order Møller-Plesset Perturbation Theory in the Condensed Phase: An Efficient and Massively Parallel Gaussian and Plane Waves Approach.

    PubMed

    Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost

    2012-11-13

    A novel algorithm, based on a hybrid Gaussian and plane waves (GPW) approach, is developed for the canonical second-order Møller-Plesset perturbation energy (MP2) of finite and extended systems. The key aspect of the method is that the electron repulsion integrals (ia|λσ) are computed by direct integration between the products of Gaussian basis functions λσ and the electrostatic potential arising from a given occupied-virtual pair density ia. The electrostatic potential is obtained in a plane waves basis set after solving the Poisson equation in Fourier space. In particular, for condensed phase systems, this scheme is highly efficient. Furthermore, our implementation has low memory requirements and displays excellent parallel scalability up to 100 000 processes. In this way, canonical MP2 calculations for condensed phase systems containing hundreds of atoms or more than 5000 basis functions can be performed within minutes, while systems up to 1000 atoms and 10 000 basis functions remain feasible. Solid LiH has been employed as a benchmark to study basis set and system size convergence. Lattice constants and cohesive energies of various molecular crystals have been studied with MP2 and double-hybrid functionals. PMID:26605583

  3. Nonlocal Anomalous Hall Effect

    NASA Astrophysics Data System (ADS)

    Zhang, Steven S.-L.; Vignale, Giovanni

    2016-04-01

    The anomalous Hall (AH) effect is deemed to be a unique transport property of ferromagnetic metals, caused by the concerted action of spin polarization and spin-orbit coupling. Nevertheless, recent experiments have shown that the effect also occurs in a nonmagnetic metal (Pt) in contact with a magnetic insulator [yttrium iron garnet (YIG)], even when precautions are taken to ensure that there is no induced magnetization in the metal. We propose a theory of this effect based on the combined action of spin-dependent scattering from the magnetic interface and the spin-Hall effect in the bulk of the metal. At variance with previous theories, we predict the effect to be of first order in the spin-orbit coupling, just as the conventional anomalous Hall effect—the only difference being the spatial separation of the spin-orbit interaction and the magnetization. For this reason we name this effect the nonlocal anomalous Hall effect and predict that its sign will be determined by the sign of the spin-Hall angle in the metal. The AH conductivity that we calculate from our theory is in order of magnitude agreement with the measured values in Pt /YIG structures.

  4. Nonlocal Intracranial Cavity Extraction

    PubMed Central

    Manjón, José V.; Eskildsen, Simon F.; Coupé, Pierrick; Romero, José E.; Collins, D. Louis; Robles, Montserrat

    2014-01-01

    Automatic and accurate methods to estimate normalized regional brain volumes from MRI data are valuable tools which may help to obtain an objective diagnosis and followup of many neurological diseases. To estimate such regional brain volumes, the intracranial cavity volume (ICV) is often used for normalization. However, the high variability of brain shape and size due to normal intersubject variability, normal changes occurring over the lifespan, and abnormal changes due to disease makes the ICV estimation problem challenging. In this paper, we present a new approach to perform ICV extraction based on the use of a library of prelabeled brain images to capture the large variability of brain shapes. To this end, an improved nonlocal label fusion scheme based on BEaST technique is proposed to increase the accuracy of the ICV estimation. The proposed method is compared with recent state-of-the-art methods and the results demonstrate an improved performance both in terms of accuracy and reproducibility while maintaining a reduced computational burden. PMID:25328511

  5. Bipartite units of nonlocality

    SciTech Connect

    Forster, Manuel; Wolf, Stefan

    2011-10-15

    Imagine a task in which a group of separated players aim to simulate a statistic that violates a Bell inequality. Given measurement choices the players shall announce an output based solely on the results of local operations--which they can discuss before the separation--on shared random data and shared copies of a so-called unit correlation. In the first part of this paper we show that in such a setting the simulation of any bipartite correlation, not containing the possibility of signaling, can be made arbitrarily accurate by increasing the number of shared Popescu-Rohrlich (PR) boxes. This establishes the PR box as a simple asymptotic unit of bipartite nonlocality. In the second part we study whether this property extends to the multipartite case. More generally, we ask if it is possible for separated players to asymptotically reproduce any nonsignaling statistic by local operations on bipartite unit correlations. We find that nonadaptive strategies are limited by a constant accuracy and that arbitrary strategies on n resource correlations make a mistake with a probability greater or equal to c/n, for some constant c.

  6. Fast separable nonlocal means

    NASA Astrophysics Data System (ADS)

    Ghosh, Sanjay; Chaudhury, Kunal N.

    2016-03-01

    We propose a simple and fast algorithm called PatchLift for computing distances between patches (contiguous block of samples) extracted from a given one-dimensional signal. PatchLift is based on the observation that the patch distances can be efficiently computed from a matrix that is derived from the one-dimensional signal using lifting; importantly, the number of operations required to compute the patch distances using this approach does not scale with the patch length. We next demonstrate how PatchLift can be used for patch-based denoising of images corrupted with Gaussian noise. In particular, we propose a separable formulation of the classical nonlocal means (NLM) algorithm that can be implemented using PatchLift. We demonstrate that the PatchLift-based implementation of separable NLM is a few orders faster than standard NLM and is competitive with existing fast implementations of NLM. Moreover, its denoising performance is shown to be consistently superior to that of NLM and some of its variants, both in terms of peak signal-to-noise ratio/structural similarity index and visual quality.

  7. Nonlocal optical response in metallic nanostructures.

    PubMed

    Raza, Søren; Bozhevolnyi, Sergey I; Wubs, Martijn; Asger Mortensen, N

    2015-05-13

    This review provides a broad overview of the studies and effects of nonlocal response in metallic nanostructures. In particular, we thoroughly present the nonlocal hydrodynamic model and the recently introduced generalized nonlocal optical response (GNOR) model. The influence of nonlocal response on plasmonic excitations is studied in key metallic geometries, such as spheres and dimers, and we derive new consequences due to the GNOR model. Finally, we propose several trajectories for future work on nonlocal response, including experimental setups that may unveil further effects of nonlocal response. PMID:25893883

  8. Towards LHC physics with nonlocal Standard Model

    NASA Astrophysics Data System (ADS)

    Biswas, Tirthabir; Okada, Nobuchika

    2015-09-01

    We take a few steps towards constructing a string-inspired nonlocal extension of the Standard Model. We start by illustrating how quantum loop calculations can be performed in nonlocal scalar field theory. In particular, we show the potential to address the hierarchy problem in the nonlocal framework. Next, we construct a nonlocal abelian gauge model and derive modifications of the gauge interaction vertex and field propagators. We apply the modifications to a toy version of the nonlocal Standard Model and investigate collider phenomenology. We find the lower bound on the scale of nonlocality from the 8 TeV LHC data to be 2.5-3 TeV.

  9. Self-interaction and relaxation-corrected pseudopotentials for II-VI semiconductors

    NASA Astrophysics Data System (ADS)

    Vogel, Dirk; Krüger, Peter; Pollmann, Johannes

    1996-08-01

    We report the construction of pseudopotentials that incorporate self-interaction corrections and electronic relaxation in an approximate but very efficient, physically well-founded, and mathematically well-defined way. These potentials are particularly useful for II-VI compounds which are distinguished by their highly localized and strongly bound cationic semicore d electrons. Self-interaction corrections to the local-density approximation (LDA) of density-functional theory are accounted for in the solids to a significant degree by constructing appropriate self-interaction-corrected (SIC) pseudopotentials that take atomic SIC contributions into account. In this way translational symmetry of the Hamiltonian is preserved. Without increasing the complexity of the numerical calculations we approximately account, in addition, for electronic relaxation in the solids by incorporating into our pseudopotentials relevant relaxation in the involved atoms. By this construction we arrive at very useful self-interaction and relaxation-corrected pseudopotentials and effective one-particle Hamiltonians which constitute the basis for ab initio LDA calculations yielding significant improvements in electronic properties of II-VI compound semiconductors and their surfaces. The procedure is computationally not more involved than any standard LDA calculation and, nevertheless, overcomes to a large extent the well-known shortcomings of ``state of the art'' LDA calculations employing standard pseudopotentials. Our results for electronic and structural properties of II-VI compounds agree with a whole body of experimental data.

  10. Demixion in simple liquid metals alloys comparative investigation of non local and local pseudopotentials: example of LiNa

    NASA Astrophysics Data System (ADS)

    Takhloukh, A.; Grosdidier, B.; Hellal, S.; Regnaut, C.

    2008-02-01

    Using perturbation theory and classical molecular dynamics simulations, we study the static structure and demixing behaviour of the liquid LiNa alloy from the pseudopotential approach and different classes of models. We find that the norm conserving pseudopotential does not lead to demixing while various local models, with few adjustable parameters correctly predict the structure and spinodal unstability in the alloy. Transferability of the pseudopotential to the alloy is improved if the parameters are fitted to some bulk or structural properties of the pure metal. We find that demixion can be predicted when the structure factors of the pure liquid Li and Na are reasonably reproduced from such pseudopotentials.

  11. Angular scattering of light by a homogeneous spherical particle in a zeroth-order Bessel beam and its relationship to plane wave scattering.

    PubMed

    Preston, Thomas C; Reid, Jonathan P

    2015-06-01

    The angular scattering of light from a homogeneous spherical particle in a zeroth-order Bessel beam is calculated using a generalized Lorenz-Mie theory. We investigate the dependence of the angular scattering on the semi-apex angle of the Bessel beam and discuss the major features of the resulting scattering plots. We also compare Bessel beam scattering to plane wave scattering and provide criterion for when the difference between the two cases can be considered negligible. Finally, we discuss a method for characterizing spherical particles using angular light scattering. This work is useful to researchers who are interested in characterizing particles trapped in optical beams using angular dependent light scattering measurements. PMID:26367038

  12. Extended application of Kohn-Sham first-principles molecular dynamics method with plane wave approximation at high energy—From cold materials to hot dense plasmas

    NASA Astrophysics Data System (ADS)

    Zhang, Shen; Wang, Hongwei; Kang, Wei; Zhang, Ping; He, X. T.

    2016-04-01

    An extended first-principles molecular dynamics (FPMD) method based on Kohn-Sham scheme is proposed to elevate the temperature limit of the FPMD method in the calculation of dense plasmas. The extended method treats the wave functions of high energy electrons as plane waves analytically and thus expands the application of the FPMD method to the region of hot dense plasmas without suffering from the formidable computational costs. In addition, the extended method inherits the high accuracy of the Kohn-Sham scheme and keeps the information of electronic structures. This gives an edge to the extended method in the calculation of mixtures of plasmas composed of heterogeneous ions, high-Z dense plasmas, lowering of ionization potentials, X-ray absorption/emission spectra, and opacities, which are of particular interest to astrophysics, inertial confinement fusion engineering, and laboratory astrophysics.

  13. Optimal one-section and two-section circular sound-absorbing duct liners for plane-wave and monopole sources without flow

    NASA Technical Reports Server (NTRS)

    Lester, H. C.; Posey, J. W.

    1976-01-01

    A discrete frequency study is made of the influence of source characteristics on the optimal properties of acoustically lined uniform and two section ducts. Two simplified sources, a plane wave and a monopole, are considered in some detail and over a greater frequency range than has been previously studied. Source and termination impedance effects are given limited examination. An example of a turbomachinery source and three associated source variants is also presented. Optimal liner designs based on modal theory approach the Cremer criterion at low frequencies and the geometric acoustics limit at high frequencies. Over an intermediate frequency range, optimal two section liners produced higher transmission losses than did the uniform configurations. Source distribution effects were found to have a significant effect on optimal liner design, but source and termination impedance effects appear to be relatively unimportant.

  14. Polymorphism of resorcinol explored by complementary vibrational spectroscopy (FT-RS, THz-TDS, INS) and first-principles solid-state computations (plane-wave DFT).

    PubMed

    Drużbicki, Kacper; Mikuli, Edward; Pałka, Norbert; Zalewski, Sławomir; Ossowska-Chruściel, Mirosława D

    2015-01-29

    The polymorphism of resorcinol has been complementary studied by combining Raman, time-domain terahertz, and inelastic neutron scattering spectroscopy with modern solid-state density functional theory (DFT) calculations. The spectral differences, emerging from the temperature-induced structural phase transition, have been successfully interpreted with an emphasis on the low-wavenumber range. The given interpretation is based on the plane-wave DFT computations, providing an excellent overall reproduction of both wavenumbers and intensities and revealing the source of the observed spectral differences. The performance of the generalized gradient approximation (GGA) functionals in prediction of the structural parameters and the vibrational spectra of the normal-pressure polymorphs of resorcinol has been extensively examined. The results show that the standard Perdew, Burke, and Ernzerhof (PBE) approach along with its "hard" revised form tends to be superior if compared to the "soft" GGA approximation. PMID:25564699

  15. On the calculation of the complex wavenumber of plane waves in rigid-walled low-Mach-number turbulent pipe flows

    NASA Astrophysics Data System (ADS)

    Weng, Chenyang; Boij, Susann; Hanifi, Ardeshir

    2015-10-01

    A numerical method for calculating the wavenumbers of axisymmetric plane waves in rigid-walled low-Mach-number turbulent flows is proposed, which is based on solving the linearized Navier-Stokes equations with an eddy-viscosity model. In addition, theoretical models for the wavenumbers are reviewed, and the main effects (the viscothermal effects, the mean flow convection and refraction effects, the turbulent absorption, and the moderate compressibility effects) which may influence the sound propagation are discussed. Compared to the theoretical models, the proposed numerical method has the advantage of potentially including more effects in the computed wavenumbers. The numerical results of the wavenumbers are compared with the reviewed theoretical models, as well as experimental data from the literature. It shows that the proposed numerical method can give satisfactory prediction of both the real part (phase shift) and the imaginary part (attenuation) of the measured wavenumbers, especially when the refraction effects or the turbulent absorption effects become important.

  16. Acoustic plane waves normally incident on a clamped panel in a rectangular duct. [to explain noise reduction curves for reducing interior noise in aircraft

    NASA Technical Reports Server (NTRS)

    Unz, H.; Roskam, J.

    1979-01-01

    The theory of acoustic plane wave normally incident on a clamped panel in a rectangular duct is developed. The coupling theory between the elastic vibrations of the panel (plate) and the acoustic wave propagation in infinite space and in the rectangular duct is considered. The partial differential equation which governs the vibration of the panel (plate) is modified by adding to its stiffness (spring) forces and damping forces, and the fundamental resonance frequency and the attenuation factor are discussed. The noise reduction expression based on the theory is found to agree well with the corresponding experimental data of a sample aluminum panel in the mass controlled region, the damping controlled region, and the stiffness controlled region. All the frequency positions of the upward and downward resonance spikes in the sample experimental data are identified theoretically as resulting from four cross interacting major resonance phenomena: the cavity resonance, the acoustic resonance, the plate resonance, and the wooden back panel resonance.

  17. Generating relativistic pseudo-potentials with explicit incorporation of semi-core states using APE, the Atomic Pseudo-potentials Engine

    NASA Astrophysics Data System (ADS)

    Oliveira, Micael J. T.; Nogueira, Fernando

    2008-04-01

    We present a computer package designed to generate and test norm-conserving pseudo-potentials within Density Functional Theory. The generated pseudo-potentials can be either non-relativistic, scalar relativistic or fully relativistic and can explicitly include semi-core states. A wide range of exchange-correlation functionals is included. Program summaryProgram title: Atomic Pseudo-potentials Engine (APE) Catalogue identifier: AEAC_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAC_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 88 287 No. of bytes in distributed program, including test data, etc.: 649 959 Distribution format: tar.gz Programming language: Fortran 90, C Computer: any computer architecture, running any flavor of UNIX Operating system: GNU/Linux RAM: <5 Mb Classification: 7.3 External routines: GSL ( http://www.gnu.org/software/gsl/) Nature of problem: Determination of atomic eigenvalues and wave-functions using relativistic and nonrelativistic Density-Functional Theory. Construction of pseudo-potentials for use in ab-initio simulations. Solution method: Grid-based integration of the Kohn-Sham equations. Restrictions: Relativistic spin-polarized calculations are not possible. The set of exchange-correlation functionals implemented in the code does not include orbital-dependent functionals. Unusual features: The program creates pseudo-potential files suitable for the most widely used ab-initio packages and, besides the standard non-relativistic Hamann and Troullier-Martins potentials, it can generate pseudo-potentials using the relativistic and semi-core extensions to the Troullier-Martins scheme. APE also has a very sophisticated and user-friendly input system. Running time: The example given in this paper (Si) takes 10 s to run on a Pentium

  18. A high frequency analysis of electromagnetic plane wave scattering by perfectly-conducting semi-infinite parallel plate and rectangular waveguides with absorber coated inner walls

    NASA Technical Reports Server (NTRS)

    Noh, H. M.; Pathak, P. H.

    1986-01-01

    An approximate but sufficiently accurate high frequency solution which combines the uniform geometrical theory of diffraction (UTD) and the aperture integration (AI) method is developed for analyzing the problem of electromagnetic (EM) plane wave scattering by an open-ended, perfectly-conducting, semi-infinite hollow rectangular waveguide (or duct) with a thin, uniform layer of lossy or absorbing material on its inner wall, and with a planar termination inside. In addition, a high frequency solution for the EM scattering by a two dimensional (2-D), semi-infinite parallel plate waveguide with a absorber coating on the inner walls is also developed as a first step before analyzing the open-ended semi-infinite three dimensional (3-D) rectangular waveguide geometry. The total field scattered by the semi-infinite waveguide consists firstly of the fields scattered from the edges of the aperture at the open-end, and secondly of the fields which are coupled into the waveguide from the open-end and then reflected back from the interior termination to radiate out of the open-end. The first contribution to the scattered field can be found directly via the UTD ray method. The second contribution is found via the AI method which employs rays to describe the fields in the aperture that arrive there after reflecting from the interior termination. It is assumed that the direction of the incident plane wave and the direction of observation lie well inside the forward half space tht exists outside the half space containing the semi-infinite waveguide geometry. Also, the medium exterior to the waveguide is assumed to be free space.

  19. Nonlocal Measurements via Quantum Erasure

    NASA Astrophysics Data System (ADS)

    Brodutch, Aharon; Cohen, Eliahu

    2016-02-01

    Nonlocal observables play an important role in quantum theory, from Bell inequalities and various postselection paradoxes to quantum error correction codes. Instantaneous measurement of these observables is known to be a difficult problem, especially when the measurements are projective. The standard von Neumann Hamiltonian used to model projective measurements cannot be implemented directly in a nonlocal scenario and can, in some cases, violate causality. We present a scheme for effectively generating the von Neumann Hamiltonian for nonlocal observables without the need to communicate and adapt. The protocol can be used to perform weak and strong (projective) measurements, as well as measurements at any intermediate strength. It can also be used in practical situations beyond nonlocal measurements. We show how the protocol can be used to probe a version of Hardy's paradox with both weak and strong measurements. The outcomes of these measurements provide a nonintuitive picture of the pre- and postselected system. Our results shed new light on the interplay between quantum measurements, uncertainty, nonlocality, causality, and determinism.

  20. Nonlocal Measurements via Quantum Erasure.

    PubMed

    Brodutch, Aharon; Cohen, Eliahu

    2016-02-19

    Nonlocal observables play an important role in quantum theory, from Bell inequalities and various postselection paradoxes to quantum error correction codes. Instantaneous measurement of these observables is known to be a difficult problem, especially when the measurements are projective. The standard von Neumann Hamiltonian used to model projective measurements cannot be implemented directly in a nonlocal scenario and can, in some cases, violate causality. We present a scheme for effectively generating the von Neumann Hamiltonian for nonlocal observables without the need to communicate and adapt. The protocol can be used to perform weak and strong (projective) measurements, as well as measurements at any intermediate strength. It can also be used in practical situations beyond nonlocal measurements. We show how the protocol can be used to probe a version of Hardy's paradox with both weak and strong measurements. The outcomes of these measurements provide a nonintuitive picture of the pre- and postselected system. Our results shed new light on the interplay between quantum measurements, uncertainty, nonlocality, causality, and determinism. PMID:26943514

  1. The t-matrix resistivity of liquid rare earth metals using pseudopotential

    SciTech Connect

    Bhatia, Kamaldeep G.; Bhatt, N. K.; Vyas, P. R.; Gohel, V. B.

    2015-06-24

    Present theoretical study of liquid metal resistivity of some trivalent (La,Ce,Gd) and divalent (Eu,Yb) rare earth metals using pseudopotential has been carried out employing Ziman’s weak scattering and transition matrix (t-matrix) approaches. Our computed results of liquid metal resistivity using t-matrix approach are better than resistivity computed using Ziman’s approach and are also in excellent agreement with experimental results and other theoretical findings. The present study confirms that for f-shell metals pseudopotential must be determined uniquely and t-matrix approach is more physical in comparison with Ziman’s nearly free electron approach. The present pseudopotential accounts s-p-d hybridization properly. Such success encourages us to study remaining liquid state properties of these metals.

  2. First-principle optimal local pseudopotentials construction via optimized effective potential method

    NASA Astrophysics Data System (ADS)

    Mi, Wenhui; Zhang, Shoutao; Wang, Yanchao; Ma, Yanming; Miao, Maosheng

    2016-04-01

    The local pseudopotential (LPP) is an important component of orbital-free density functional theory, a promising large-scale simulation method that can maintain information on a material's electron state. The LPP is usually extracted from solid-state density functional theory calculations, thereby it is difficult to assess its transferability to cases involving very different chemical environments. Here, we reveal a fundamental relation between the first-principles norm-conserving pseudopotential (NCPP) and the LPP. On the basis of this relationship, we demonstrate that the LPP can be constructed optimally from the NCPP for a large number of elements using the optimized effective potential method. Specially, our method provides a unified scheme for constructing and assessing the LPP within the framework of first-principles pseudopotentials. Our practice reveals that the existence of a valid LPP with high transferability may strongly depend on the element.

  3. Closed sets of nonlocal correlations

    SciTech Connect

    Allcock, Jonathan; Linden, Noah; Brunner, Nicolas; Popescu, Sandu; Skrzypczyk, Paul; Vertesi, Tamas

    2009-12-15

    We present a fundamental concept - closed sets of correlations - for studying nonlocal correlations. We argue that sets of correlations corresponding to information-theoretic principles, or more generally to consistent physical theories, must be closed under a natural set of operations. Hence, studying the closure of sets of correlations gives insight into which information-theoretic principles are genuinely different, and which are ultimately equivalent. This concept also has implications for understanding why quantum nonlocality is limited, and for finding constraints on physical theories beyond quantum mechanics.

  4. Plastic failure of nonlocal beams.

    PubMed

    Challamel, Noël; Lanos, Christophe; Casandjian, Charles

    2008-08-01

    This paper questions the mode of collapse of some simple softening nonlocal structural systems comprising the classical cantilever beam. Nanobeams can be concerned by such an elementary model. The homogeneous cantilever beam loaded by a concentrated force at its extremity is first considered as a structural paradigm. A nonlocal plasticity model is developed in order to control the localization process induced by microcracking phenomena. An implicit gradient plasticity model equivalent to a nonlocal integral plasticity model is used in this paper. It is shown that the regularized problem is well posed. Closed-form solutions of the elastoplastic deflection are finally derived. The length of the plastic zone grows during the softening process until an asymptotic limited value, which depends on the characteristic length of the material. Scale effects are clearly obtained for these static bending tests. Other structural cases are also presented, including the simply supported beam under uniform transverse loading. It is concluded that the mode of collapse is firmly a nonlocal phenomenon. PMID:18850959

  5. Nonlocal Equations with Measure Data

    NASA Astrophysics Data System (ADS)

    Kuusi, Tuomo; Mingione, Giuseppe; Sire, Yannick

    2015-08-01

    We develop an existence, regularity and potential theory for nonlinear integrodifferential equations involving measure data. The nonlocal elliptic operators considered are possibly degenerate and cover the case of the fractional p-Laplacean operator with measurable coefficients. We introduce a natural function class where we solve the Dirichlet problem, and prove basic and optimal nonlinear Wolff potential estimates for solutions. These are the exact analogs of the results valid in the case of local quasilinear degenerate equations established by Boccardo and Gallouët (J Funct Anal 87:149-169, 1989, Partial Differ Equ 17:641-655, 1992) and Kilpeläinen and Malý (Ann Scuola Norm Sup Pisa Cl Sci (IV) 19:591-613, 1992, Acta Math 172:137-161, 1994). As a consequence, we establish a number of results that can be considered as basic building blocks for a nonlocal, nonlinear potential theory: fine properties of solutions, Calderón-Zygmund estimates, continuity and boundedness criteria are established via Wolff potentials. A main tool is the introduction of a global excess functional that allows us to prove a nonlocal analog of the classical theory due to Campanato (Ann Mat Pura Appl (IV) 69:321-381, 1965). Our results cover the case of linear nonlocal equations with measurable coefficients, and the one of the fractional Laplacean, and are new already in such cases.

  6. Quantum nonlocality does not exist.

    PubMed

    Tipler, Frank J

    2014-08-01

    Quantum nonlocality is shown to be an artifact of the Copenhagen interpretation, in which each observed quantity has exactly one value at any instant. In reality, all physical systems obey quantum mechanics, which obeys no such rule. Locality is restored if observed and observer are both assumed to obey quantum mechanics, as in the many-worlds interpretation (MWI). Using the MWI, I show that the quantum side of Bell's inequality, generally believed nonlocal, is really due to a series of three measurements (not two as in the standard, oversimplified analysis), all three of which have only local effects. Thus, experiments confirming "nonlocality" are actually confirming the MWI. The mistaken interpretation of nonlocality experiments depends crucially on a question-begging version of the Born interpretation, which makes sense only in "collapse" versions of quantum theory, about the meaning of the modulus of the wave function, so I use the interpretation based on the MWI, namely that the wave function is a world density amplitude, not a probability amplitude. This view allows the Born interpretation to be derived directly from the Schrödinger equation, by applying the Schrödinger equation to both the observed and the observer. PMID:25015084

  7. On nonlocal electron heat conduction

    SciTech Connect

    Krasheninnikov, S.I. )

    1993-01-01

    An improvement of the Albritton nonlocal electron heat transport model is proposed for high-[ital Z] plasmas. The thermal decay of the temperature perturbation in a uniform plasma as calculated by this model is compared with that obtained by Fokker--Planck simulations. Complete agreement is found up to values [ital k][lambda][sub [ital e

  8. Learning Non-Local Dependencies

    ERIC Educational Resources Information Center

    Kuhn, Gustav; Dienes, Zoltan

    2008-01-01

    This paper addresses the nature of the temporary storage buffer used in implicit or statistical learning. Kuhn and Dienes [Kuhn, G., & Dienes, Z. (2005). Implicit learning of nonlocal musical rules: implicitly learning more than chunks. "Journal of Experimental Psychology-Learning Memory and Cognition," 31(6) 1417-1432] showed that people could…

  9. Pseudopotential calculations of strained-GeSn/SiGeSn hetero-structures

    NASA Astrophysics Data System (ADS)

    Sant, Saurabh; Schenk, Andreas

    2014-10-01

    We have obtained empirical pseudopotential parameters for α-Sn and employed the pseudopotential method along with the virtual crystal approximation to model GeSn and SiGeSn alloys. The calculated direct and indirect band gaps of GeSn and SiGeSn show good agreement with experimental data at 300 K available till date. The derived pseudopotential parameter set was used to extract various band structure quantities required to model band-to-band tunneling in simulating GeSn/SiGeSn hetero-junction Tunnel Field Effect Transistors (TFET). All the required band structure quantities have been extracted as a function of biaxial strain, Si content, and Sn content and have been fitted to a quadratic expression. An attempt to simulate Si0.5Ge0.5/Si hetero-junction TFETs based on the extracted band structure quantities yields ID - VG plots that are in good agreement with the experimental ones—an indication for the reliability of the extracted band structure quantities. Thus, the calculated pseudopotential and extracted band structure parameters provide a complete data base for the modeling of GeSn/SiGeSn hetero-junction TFETs.

  10. Norm-conserving pseudopotentials with chemical accuracy compared to all-electron calculations

    NASA Astrophysics Data System (ADS)

    Willand, Alex; Kvashnin, Yaroslav O.; Genovese, Luigi; Vázquez-Mayagoitia, Álvaro; Deb, Arpan Krishna; Sadeghi, Ali; Deutsch, Thierry; Goedecker, Stefan

    2013-03-01

    By adding a nonlinear core correction to the well established dual space Gaussian type pseudopotentials for the chemical elements up to the third period, we construct improved pseudopotentials for the Perdew-Burke-Ernzerhof [J. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996), 10.1103/PhysRevLett.77.3865] functional and demonstrate that they exhibit excellent accuracy. Our benchmarks for the G2-1 test set show average atomization energy errors of only half a kcal/mol. The pseudopotentials also remain highly reliable for high pressure phases of crystalline solids. When supplemented by empirical dispersion corrections [S. Grimme, J. Comput. Chem. 27, 1787 (2006), 10.1002/jcc.20495; S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. 132, 154104 (2010), 10.1063/1.3382344] the average error in the interaction energy between molecules is also about half a kcal/mol. The accuracy that can be obtained by these pseudopotentials in combination with a systematic basis set is well superior to the accuracy that can be obtained by commonly used medium size Gaussian basis sets in all-electron calculations.

  11. Trends in the properties and structures of the simple metals from a universal local pseudopotential

    NASA Astrophysics Data System (ADS)

    Nogueira, Fernando; Fiolhais, Carlos; Perdew, John P.

    1999-01-01

    The properties of simple metals are fixed primarily by the equilibrium average valence-electron density parameter rs, and secondarily by the valence z. The simplest level of theory that can account quantitatively for these trends invokes a ``universal'' local electron-ion pseudopotential, defined for each pair (rs,z) and treated as a second-order perturbation. We construct this pseudopotential from two conditions: (1) The total energy should minimize at the equilibrium Wigner-Seitz radius z1/3rs. (2) The bulk modulus should equal the realistic rs-dependent prediction of the stabilized jellium model with effective valence z*=1. These conditions can be satisfied by an analytic local pseudopotential depending upon two parameters other than z; we show that the choice of the two-parameter form (evanescent core vs Heine-Abarenkov) is not important. Our universal local pseudopotential is applied to calculate realistic bulk binding energies, pressure derivatives of bulk moduli, Voigt shear moduli, and interstitial electron numbers, revealing their trends as functions of rs and z. Equilibrium crystal structures are mapped in the rs-z plane, where the Hume-Rothery rules for substitutional alloys are manifest. The effect of pressure on crystal structure is also examined.

  12. Nonlocal energy-optimized kernel: Recovering second-order exchange in the homogeneous electron gas

    NASA Astrophysics Data System (ADS)

    Bates, Jefferson E.; Laricchia, Savio; Ruzsinszky, Adrienn

    2016-01-01

    In order to remedy some of the shortcomings of the random phase approximation (RPA) within adiabatic connection fluctuation-dissipation (ACFD) density functional theory, we introduce a short-ranged, exchange-like kernel that is one-electron self-correlation free and exact for two-electron systems in the high-density limit. By tuning a free parameter in our model to recover an exact limit of the homogeneous electron gas correlation energy, we obtain a nonlocal, energy-optimized kernel that reduces the errors of RPA for both homogeneous and inhomogeneous solids. Using wave-vector symmetrization for the kernel, we also implement RPA renormalized perturbation theory for extended systems, and demonstrate its capability to describe the dominant correlation effects with a low-order expansion in both metallic and nonmetallic systems. The comparison of ACFD structural properties with experiment is also shown to be limited by the choice of norm-conserving pseudopotential.

  13. Averaging Horizontal-to-Vertical (H/V) Spectral Ratios of Earthquake Motions for Velocity Inversions Based on Diffuse Field Theory for Plane Waves

    NASA Astrophysics Data System (ADS)

    Matsushima, S.; Sanchez-Sesma, F. J.; Kawase, H.

    2010-12-01

    In this work we explore the application of diffuse field concepts to analyze strong motion records at a site in which site effects can be described using a one dimensional (1D) model. For this case we derived a corollary of Claerbout (1968) result for 1D layered medium. We found that the imaginary part of Green function at the free surface is proportional to the square of the absolute value of the corresponding transfer function for a plane, vertically incident wave with unit amplitude. Average strong ground motion in a "sufficiently" flat layered site will be statistically equivalent. We may conceive the illumination as produced by incident plane waves. They represent the most important part of earthquake ground motions. Their associated motions, being multiple scattered, are formed of waves that sample significant portions of the considered area. This is a distinctive feature of earthquake motions, for which the excited domain is large, basically from the source to the receiver. For a set of incoming plane waves (of P, SV, and SH types) with varying azimuths and incidence angles we assume that the ground motion will be spatially homogeneous in a statistical sense. In other words, the average of normalized ground motion spectral densities will depend only on depth. Therefore, we can apply a 1D description of wave propagation for a diffuse (average) field of ground motions. To prove the above hypothesis for H/V ratios of earthquake ground motions, we first show a comparison of averaged synthetics of 1D underground structures with a corresponding simple theoretical prediction from 1D transfer functions. After summing up a few hundreds of synthetics with different angles of incidences, azimuths, and polarizations, we can obtain identical H/V ratios that the simple theory of diffuse field predicts. Then we show several examples of H/V ratios for actual seismic motions observed in Japan. We found that the earthquake H/V ratios are quite stable (and converging rapidly

  14. Errors incurred in a plane-wave-type expansion of a Gaussian beam. [in laser force calculations on light scattering aerosol experiments

    NASA Technical Reports Server (NTRS)

    Kattawar, G. W.

    1980-01-01

    The multipole expansion obtained by Morita et al. (1968) of the Gaussian laser beam used to levitate an aerosol particle in order that its complete phase matrix may be measured is compared with that of Tsai and Pogorzelski (1975) in order to demonstrate the effect of the incorrect expansion used by Morita. Errors incurred by the use of an equation in which one side satisfies the scalar wave equation while the other side does not and can be reduced to a plane wave amplitude are calculated as functions of the inverse of the wave number times the beam waist, the wave number times the radial spherical coordinate and the angular spherical coordinate. Errors on the order of a few percent, considered undetectable are obtained in the squared-field amplitudes due to the expansion, however, they are found to become significant (several tens of percent) when the angle is zero. It is concluded that the expansion of Morita should only be used in the regions where the spherical angle is less than 0.01 and its product with the wave number and the radial spherical coordinate is less than unity.

  15. Tunable broadband plasmonic field enhancement on a graphene surface using a normal-incidence plane wave at mid-infrared frequencies

    PubMed Central

    Zhang, Tian; Chen, Lin; Wang, Bing; Li, Xun

    2015-01-01

    We investigate optical field enhancement for a wide mid-infrared range, originating from the excitation of graphene plasmons, by introducing a graded dielectric grating of varying period underneath a graphene monolayer. Excitation of the plasmonic mode can be achieved by illuminating a normal-incidence plane wave on the gratings due to guided-mode resonance. The gratings of varying period enable the excitation of the plasmonic mode with a very high field enhancement factor (to the order of magnitude of 1000) within a wide spectral band, which leads to the frequency-dependent spatially separated localization of the infrared spectrum modes. We also demonstrate that the excitation position of the plasmonic mode can be freely tuned by varying the thickness of the interlayer as well as the chemical potential of the graphene monolayer. This structure enables the design of two-dimensional plasmonic photonic circuits and metamaterials targeted towards numerous potential applications including optoelectronic detectors, light-harvest devices, on-chip optical interconnects, biosensors, and light-matter interactions. PMID:26057188

  16. Computation of the Kohn-Sham orbital kinetic energy density in the full-potential linearized augmented plane-wave method

    NASA Astrophysics Data System (ADS)

    Ye, Lin-Hui

    2015-02-01

    The Kohn-Sham orbital kinetic energy density τσ(r ) =∑iwi σ|∇ψi σ(r ) | 2 is one fundamental quantity for constructing metageneralized gradient approximations (meta-GGAs) for use by density functional theory. We present a computational scheme of τσ(r ) for the full-potential linearized augmented plane-wave (FLAPW) method. Our scheme is highly accurate and efficient and easy to implement with existing computer codes. To illustrate its performance, we construct the Becke-Johnson meta-GGA exchange potentials for Be, Ne, Mg, Ar, Ca, Zn, Kr, and Cd atoms, which are in very good agreement with the original results. For bulk solids, we construct the Tran-Blaha modified Becke-Johnson potential (mBJ) and confirm its capability to calculate band gaps with the reported bad convergence of the mBJ potential being substantially improved. The present computational scheme of τσ(r ) should also be valuable for developing other meta-GGAs in the FLAPW as well as in similar methods utilizing atom centered basis functions.

  17. Diffraction of a finite-radius plane wave and a Gaussian beam by a helical axicon and a spiral phase plate

    NASA Astrophysics Data System (ADS)

    Kotlyar, Victor V.; Kovalev, Alexey A.; Skidanov, Roman V.; Moiseev, Oleg Yu.; Soifer, Victor A.

    2007-07-01

    We derive what we believe to be new analytical relations to describe the Fraunhofer diffraction of the finite-radius plane wave by a helical axicon (HA) and a spiral phase plate (SPP). The solutions are deduced in the form of a series of the Bessel functions for the HA and a finite sum of the Bessel functions for the SPP. The solution for the HA changes to that for the SPP if the axicon parameter is set equal to zero. We also derive what we believe to be new analytical relations to describe the Fresnel and Fraunhofer diffraction of the Gaussian beam by a HA are derived. The solutions are deduced in the form of a series of the hypergeometric functions. We have fabricated by photolithography a binary diffractive optical element (a HA with number n=10) able to produce in the focal plane of a spherical lens an optical vortex, which was then used to perform rotation of several polystyrene beads of diameter 5 μm.

  18. Nonlocality and conflicting interest games.

    PubMed

    Pappa, Anna; Kumar, Niraj; Lawson, Thomas; Santha, Miklos; Zhang, Shengyu; Diamanti, Eleni; Kerenidis, Iordanis

    2015-01-16

    Nonlocality enables two parties to win specific games with probabilities strictly higher than allowed by any classical theory. Nevertheless, all known such examples consider games where the two parties have a common interest, since they jointly win or lose the game. The main question we ask here is whether the nonlocal feature of quantum mechanics can offer an advantage in a scenario where the two parties have conflicting interests. We answer this in the affirmative by presenting a simple conflicting interest game, where quantum strategies outperform classical ones. Moreover, we show that our game has a fair quantum equilibrium with higher payoffs for both players than in any fair classical equilibrium. Finally, we play the game using a commercial entangled photon source and demonstrate experimentally the quantum advantage. PMID:25635538

  19. Optimal protocols for nonlocality distillation

    SciTech Connect

    Hoeyer, Peter; Rashid, Jibran

    2010-10-15

    Forster et al. recently showed that weak nonlocality can be amplified by giving the first protocol that distills a class of nonlocal boxes (NLBs) [Phys. Rev. Lett. 102, 120401 (2009)] We first show that their protocol is optimal among all nonadaptive protocols. We next consider adaptive protocols. We show that the depth-2 protocol of Allcock et al. [Phys. Rev. A 80, 062107 (2009)] performs better than previously known adaptive depth-2 protocols for all symmetric NLBs. We present a depth-3 protocol that extends the known region of distillable NLBs. We give examples of NLBs for which each of the Forster et al., the Allcock et al., and our protocols perform best. The understanding we develop is that there is no single optimal protocol for NLB distillation. The choice of which protocol to use depends on the noise parameters for the NLB.

  20. Randomness versus nonlocality and entanglement.

    PubMed

    Acín, Antonio; Massar, Serge; Pironio, Stefano

    2012-03-01

    The outcomes obtained in Bell tests involving two-outcome measurements on two subsystems can, in principle, generate up to 2 bits of randomness. However, the maximal violation of the Clauser-Horne-Shimony-Holt inequality guarantees the generation of only 1.23 bits of randomness. We prove here that quantum correlations with arbitrarily little nonlocality and states with arbitrarily little entanglement can be used to certify that close to the maximum of 2 bits of randomness are produced. Our results show that nonlocality, entanglement, and randomness are inequivalent quantities. They also imply that device-independent quantum key distribution with an optimal key generation rate is possible by using almost-local correlations and that device-independent randomness generation with an optimal rate is possible with almost-local correlations and with almost-unentangled states. PMID:22463395

  1. Certifying nonlocality from separable marginals

    NASA Astrophysics Data System (ADS)

    Vértesi, Tamás; Laskowski, Wiesław; Pál, Károly F.

    2014-01-01

    Imagine three parties, Alice, Bob, and Charlie, who share a state of three qubits such that all two-party reduced states A-B, A-C, and B-C are separable. Suppose that they have information only about these marginals but not about the global state. According to recent results, there exists an example for a set of three separable two-party reduced states that is only compatible with an entangled global state. In this paper, we show a stronger result by exhibiting separable two-party reduced states A-B, A-C, and B-C, such that any global state compatible with these marginals is nonlocal. Hence, we obtain that nonlocality of multipartite states can be certified from information only about separable marginals.

  2. Activation of nonlocal quantum resources.

    PubMed

    Navascués, Miguel; Vértesi, Tamás

    2011-02-11

    We find two two-qubit bipartite states ρ1, ρ2 such that arbitrarily many copies of one or the other cannot exhibit nonlocal correlations in a two-setting-two-outcome Bell scenario. However, the bipartite state ρ1 ⊗ ρ2 violates the Clauser-Horne-Shimony-Holt (CHSH) Bell inequality [J. F. Clauser, M. A. Horne, A. Shimony, and R. A. Holt, Phys. Rev. Lett. 23, 880 (1969).] by an amount of 2.023. We also identify a CHSH-local state ρ such that ρ⊗2 is CHSH inequality-violating. The tools employed can be easily adapted to find instances of nonlocality activation in arbitrary Bell scenarios. PMID:21405447

  3. Temporal nonlocality in bistable perception

    NASA Astrophysics Data System (ADS)

    Atmanspacher, Harald; Filk, Thomas

    2012-12-01

    A novel conceptual framework for theoretical psychology is presented and illustrated for the example of bistable perception. A basic formal feature of this framework is the non-commutativity of operations acting on mental states. A corresponding model for the bistable perception of ambiguous stimuli, the Necker-Zeno model, is sketched and some empirical evidence for it so far is described. It is discussed how a temporal nonlocality of mental states, predicted by the model, can be understood and tested.

  4. Quantum nonlocality does not exist

    PubMed Central

    Tipler, Frank J.

    2014-01-01

    Quantum nonlocality is shown to be an artifact of the Copenhagen interpretation, in which each observed quantity has exactly one value at any instant. In reality, all physical systems obey quantum mechanics, which obeys no such rule. Locality is restored if observed and observer are both assumed to obey quantum mechanics, as in the many-worlds interpretation (MWI). Using the MWI, I show that the quantum side of Bell’s inequality, generally believed nonlocal, is really due to a series of three measurements (not two as in the standard, oversimplified analysis), all three of which have only local effects. Thus, experiments confirming “nonlocality” are actually confirming the MWI. The mistaken interpretation of nonlocality experiments depends crucially on a question-begging version of the Born interpretation, which makes sense only in “collapse” versions of quantum theory, about the meaning of the modulus of the wave function, so I use the interpretation based on the MWI, namely that the wave function is a world density amplitude, not a probability amplitude. This view allows the Born interpretation to be derived directly from the Schrödinger equation, by applying the Schrödinger equation to both the observed and the observer. PMID:25015084

  5. Pseudopotential calculations for elastic scattering of slow electrons (0--20 eV) from noble gases. I. Argon

    SciTech Connect

    Plenkiewicz, B.; Plenkiewicz, P.; Jay-Gerin, J.

    1988-11-01

    Phase shifts, differential, total, and momentum-transfer cross sections are calculated using a pseudopotential approach for the elastic scattering of electrons by argon atoms in the impact energy range 0--20 eV. In the calculations, we use a pseudopotential for the electron-argon system based on a norm-conserving ionic pseudopotential derived by Bachelet et al. (Phys. Rev. B 26, 4199 (1982)) and screened by an exchange-correlation model potential suitably chosen for electron-scattering studies. The results are found to be in excellent agreement with existing experimental and theoretical data, proving the usefulness of this approach.

  6. Frustrated Brownian Motion of Nonlocal Solitary Waves

    SciTech Connect

    Folli, V.; Conti, C.

    2010-05-14

    We investigate the evolution of solitary waves in a nonlocal medium in the presence of disorder. By using a perturbational approach, we show that an increasing degree of nonlocality may largely hamper the Brownian motion of self-trapped wave packets. The result is valid for any kind of nonlocality and in the presence of nonparaxial effects. Analytical predictions are compared with numerical simulations based on stochastic partial differential equations.

  7. Origin of Dynamical Quantum Non-locality

    NASA Astrophysics Data System (ADS)

    Pachon, Cesar E.; Pachon, Leonardo A.

    2014-03-01

    Non-locality is one of the hallmarks of quantum mechanics and is responsible for paradigmatic features such as entanglement and the Aharonov-Bohm effect. Non-locality comes in two ``flavours'': a kinematic non-locality- arising from the structure of the Hilbert space- and a dynamical non-locality- arising from the quantum equations of motion-. Kinematic non-locality is unable to induce any change in the probability distributions, so that the ``action-at-a-distance'' cannot manifest. Conversely, dynamical non-locality does create explicit changes in probability, though in a ``causality-preserving'' manner. The origin of non-locality of quantum measurements and its relations to the fundamental postulates of quantum mechanics, such as the uncertainty principle, have been only recently elucidated. Here we trace the origin of dynamical non-locality to the superposition principle. This relation allows us to establish and identify how the uncertainty and the superposition principles determine the non-local character of the outcome of a quantum measurement. Being based on group theoretical and path integral formulations, our formulation admits immediate generalizations and extensions to to, e.g., quantum field theory. This work was supported by the Departamento Administrativo de Ciencia, Tecnologia e Innovacion -COLCIENCIAS- of Colombia under the grant number 111556934912.

  8. Unified criteria for multipartite quantum nonlocality

    SciTech Connect

    Cavalcanti, E. G.; He, Q. Y.; Reid, M. D.; Wiseman, H. M.

    2011-09-15

    Wiseman and co-workers [H. M. Wiseman, S. J. Jones, and A. C. Doherty, Phys. Rev. Lett. 98, 140402, (2007)] proposed a distinction among the nonlocality classes of Bell's nonlocality, Einstein-Podolsky-Rosen (EPR) paradox or steering, and entanglement based on whether or not an overseer trusts each party in a bipartite scenario where they are asked to demonstrate entanglement. Here we extend that concept to the multipartite case and derive inequalities that progressively test for those classes of nonlocality, with different thresholds for each level. This framework includes the three classes of nonlocality above in special cases and introduces a family of others.

  9. Robustness of multiparty nonlocality to local decoherence

    NASA Astrophysics Data System (ADS)

    Jang, Sung Soon; Cheong, Yong Wook; Kim, Jaewan; Lee, Hai-Woong

    2006-12-01

    We investigate the robustness of multiparty nonlocality under local decoherence, acting independently and equally on each subsystem. To be specific, we consider an N -qubit Greenberger-Horne-Zeilinger (GHZ) state under a depolarization, dephasing, or dissipation channel, and examine nonlocality by testing violation of the Mermin-Klyshko inequality, which is one of Bell’s inequalities for multiqubit systems. The results show that the robustness of nonlocality increases with the number of qubits, and that the nonlocality of an N -qubit GHZ state with even N is extremely persistent against dephasing.

  10. Shear-deformation-potential constant of the conduction-band minima of Si: Pseudopotential calculations

    NASA Astrophysics Data System (ADS)

    Li, Ming-Fu; Gu, Zong-Quan; Wang, Jian-Qing

    1990-09-01

    We have calculated the value of the shear-deformation-potential constant Ξu of the conduction-band minima of Si and its temperature coefficient dΞu/dT. The value of Ξu is 9.0 eV for an ab initio pseudopotential calculation and 10.8 eV by the empirical-pseudopotential method (EPM), in good agreement with our experiment. The EPM calculations of the temperature dependence of Ξu yield the values of (dΞu/dT)||DW=-0.04 meV/K due to the Debye-Waller contribution, and (dΞu/dT)||TE=-0.04 meV/K for thermal expansion. We suspect and suggest that the existing experimental value of dΞu/dT~=+3 meV/K is unreliable due to large experimental uncertainty.

  11. Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach

    NASA Astrophysics Data System (ADS)

    Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost

    2015-09-01

    The forces acting on the atoms as well as the stress tensor are crucial ingredients for calculating the structural and dynamical properties of systems in the condensed phase. Here, these derivatives of the total energy are evaluated for the second-order Møller-Plesset perturbation energy (MP2) in the framework of the resolution of identity Gaussian and plane waves method, in a way that is fully consistent with how the total energy is computed. This consistency is non-trivial, given the different ways employed to compute Coulomb, exchange, and canonical four center integrals, and allows, for example, for energy conserving dynamics in various ensembles. Based on this formalism, a massively parallel algorithm has been developed for finite and extended system. The designed parallel algorithm displays, with respect to the system size, cubic, quartic, and quintic requirements, respectively, for the memory, communication, and computation. All these requirements are reduced with an increasing number of processes, and the measured performance shows excellent parallel scalability and efficiency up to thousands of nodes. Additionally, the computationally more demanding quintic scaling steps can be accelerated by employing graphics processing units (GPU's) showing, for large systems, a gain of almost a factor two compared to the standard central processing unit-only case. In this way, the evaluation of the derivatives of the RI-MP2 energy can be performed within a few minutes for systems containing hundreds of atoms and thousands of basis functions. With good time to solution, the implementation thus opens the possibility to perform molecular dynamics (MD) simulations in various ensembles (microcanonical ensemble and isobaric-isothermal ensemble) at the MP2 level of theory. Geometry optimization, full cell relaxation, and energy conserving MD simulations have been performed for a variety of molecular crystals including NH3, CO2, formic acid, and benzene.

  12. Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach

    SciTech Connect

    Del Ben, Mauro Hutter, Jürg; VandeVondele, Joost

    2015-09-14

    The forces acting on the atoms as well as the stress tensor are crucial ingredients for calculating the structural and dynamical properties of systems in the condensed phase. Here, these derivatives of the total energy are evaluated for the second-order Møller-Plesset perturbation energy (MP2) in the framework of the resolution of identity Gaussian and plane waves method, in a way that is fully consistent with how the total energy is computed. This consistency is non-trivial, given the different ways employed to compute Coulomb, exchange, and canonical four center integrals, and allows, for example, for energy conserving dynamics in various ensembles. Based on this formalism, a massively parallel algorithm has been developed for finite and extended system. The designed parallel algorithm displays, with respect to the system size, cubic, quartic, and quintic requirements, respectively, for the memory, communication, and computation. All these requirements are reduced with an increasing number of processes, and the measured performance shows excellent parallel scalability and efficiency up to thousands of nodes. Additionally, the computationally more demanding quintic scaling steps can be accelerated by employing graphics processing units (GPU’s) showing, for large systems, a gain of almost a factor two compared to the standard central processing unit-only case. In this way, the evaluation of the derivatives of the RI-MP2 energy can be performed within a few minutes for systems containing hundreds of atoms and thousands of basis functions. With good time to solution, the implementation thus opens the possibility to perform molecular dynamics (MD) simulations in various ensembles (microcanonical ensemble and isobaric-isothermal ensemble) at the MP2 level of theory. Geometry optimization, full cell relaxation, and energy conserving MD simulations have been performed for a variety of molecular crystals including NH{sub 3}, CO{sub 2}, formic acid, and benzene.

  13. Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach.

    PubMed

    Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost

    2015-09-14

    The forces acting on the atoms as well as the stress tensor are crucial ingredients for calculating the structural and dynamical properties of systems in the condensed phase. Here, these derivatives of the total energy are evaluated for the second-order Møller-Plesset perturbation energy (MP2) in the framework of the resolution of identity Gaussian and plane waves method, in a way that is fully consistent with how the total energy is computed. This consistency is non-trivial, given the different ways employed to compute Coulomb, exchange, and canonical four center integrals, and allows, for example, for energy conserving dynamics in various ensembles. Based on this formalism, a massively parallel algorithm has been developed for finite and extended system. The designed parallel algorithm displays, with respect to the system size, cubic, quartic, and quintic requirements, respectively, for the memory, communication, and computation. All these requirements are reduced with an increasing number of processes, and the measured performance shows excellent parallel scalability and efficiency up to thousands of nodes. Additionally, the computationally more demanding quintic scaling steps can be accelerated by employing graphics processing units (GPU's) showing, for large systems, a gain of almost a factor two compared to the standard central processing unit-only case. In this way, the evaluation of the derivatives of the RI-MP2 energy can be performed within a few minutes for systems containing hundreds of atoms and thousands of basis functions. With good time to solution, the implementation thus opens the possibility to perform molecular dynamics (MD) simulations in various ensembles (microcanonical ensemble and isobaric-isothermal ensemble) at the MP2 level of theory. Geometry optimization, full cell relaxation, and energy conserving MD simulations have been performed for a variety of molecular crystals including NH3, CO2, formic acid, and benzene. PMID:26373996

  14. Ground-state properties of Ag/sub 2/: A local-density pseudopotential approach

    SciTech Connect

    Luis Martins, J.; Andreoni, W.

    1983-12-01

    The local-density approximation of the density-functional theory is applied to calculate the ground-state properties of Ag/sub 2/, within the framework of the pseudopotential method. The calculated values of the bond length and the harmonic vibrational frequency are in good agreement with experiment. The bonding properties are found to be influenced by the d-electron states in a significant way. The results are compared with those of configuration-interaction calculations.

  15. Multipseudopotential interaction: A solution for thermodynamic inconsistency in pseudopotential lattice Boltzmann models

    NASA Astrophysics Data System (ADS)

    Khajepor, Sorush; Wen, John; Chen, Baixin

    2015-02-01

    Pseudopotential lattice Boltzmann (LB) models have been recognized as efficient numerical tools to simulate complex fluid systems, including those at thermodynamic equilibrium states and with phase transitions. However, when the equation of state (EOS) of real fluids is implemented, the existing pseudopotential LB models suffer from thermodynamic inconsistency. This study presents a multipseudopotential interparticle interaction (MPI) scheme, which is fully consistent with thermodynamics and applicable to engineering applications. In this framework, multiple pseudopotentials are employed to represent dominant interaction potentials at different extents of the mean free path of particles. By simulating van der Waals and Carnahan-Starling fluids, it is demonstrated that the MPI scheme can correctly simulate the physical nature of two-phase systems on the lattice including the continuum predictions of liquid-vapor coexistence states and the sound speeds in liquid and vapor phases. It is also shown that the lattice interactions of the MPI scheme represent underlying molecular interactions as they vary in a broad range from strong short-distance repulsions to weak long-distance attractions during phase transitions. Consequently, the MPI is proved to be a reliable LB scheme as it avoids generating unphysical potentials in implementing the EOSs of real fluids and limiting the spurious velocities at the interface of two-phase systems. Additionally, a straightforward procedure is suggested and discussed to preset the MPI system with the two-phase properties of a selected fluid.

  16. Accuracy of relativistic energy-consistent pseudopotentials for superheavy elements 111-118: Molecular calibration calculations

    SciTech Connect

    Hangele, Tim; Dolg, Michael

    2013-01-28

    Relativistic energy-consistent pseudopotentials modelling the Dirac-Coulomb-Breit Hamiltonian with a finite nucleus model for the superheavy elements with nuclear charges 111-118 were calibrated in atomic and molecular calculations against fully relativistic all-electron reference data. Various choices for the adjustment of the f-potentials were investigated and an improved parametrization is recommended. Using the resulting pseudopotentials relativistic all-electron reference data can be reproduced at the self-consistent field level with average absolute (relative) errors of 0.0030 A (0.15%) for bond lengths and 2.79 N m{sup -1} (1.26%) for force constants for 24 diatomic test molecules, i.e., neutral or singly charged monohydrides, monofluorides, and monochlorides with closed-shell electronic structure. At the second-order Moller-Plesset perturbation theory level the corresponding average deviations are 0.0033 A (0.15%) for bond lengths and 2.86 N m{sup -1} (1.40%) for force constants. Corresponding improved f-potentials were also derived for the pseudopotentials modelling in addition the leading contributions from quantum electrodynamics.

  17. More nonlocality with less entanglement

    SciTech Connect

    Vidick, Thomas; Wehner, Stephanie

    2011-05-15

    Recent numerical investigations [K. Pal and T. Vertesi, Phys. Rev. A 82, 022116 (2010)] suggest that the I3322 inequality, arguably the simplest extremal Bell inequality after the CHSH inequality, has a very rich structure in terms of the entangled states and measurements that maximally violate it. Here we show that for this inequality the maximally entangled state of any dimension achieves the same violation than just a single EPR pair. In contrast, stronger violations can be achieved using higher dimensional states which are less entangled. This shows that the maximally entangled state is not the most nonlocal resource, even when one restricts attention to the most simple extremal Bell inequalities.

  18. Hyperbolic metamaterial lens with hydrodynamic nonlocal response.

    PubMed

    Yan, Wei; Mortensen, N Asger; Wubs, Martijn

    2013-06-17

    We investigate the effects of hydrodynamic nonlocal response in hyperbolic metamaterials (HMMs), focusing on the experimentally realizable parameter regime where unit cells are much smaller than an optical wavelength but much larger than the wavelengths of the longitudinal pressure waves of the free-electron plasma in the metal constituents. We derive the nonlocal corrections to the effective material parameters analytically, and illustrate the noticeable nonlocal effects on the dispersion curves numerically. As an application, we find that the focusing characteristics of a HMM lens in the local-response approximation and in the hydrodynamic Drude model can differ considerably. In particular, the optimal frequency for imaging in the nonlocal theory is blueshifted with respect to that in the local theory. Thus, to detect whether nonlocal response is at work in a hyperbolic metamaterial, we propose to measure the near-field distribution of a hyperbolic metamaterial lens. PMID:23787690

  19. A dispersive wave equation using nonlocal elasticity

    NASA Astrophysics Data System (ADS)

    Challamel, Noël; Rakotomanana, Lalaonirina; Le Marrec, Loïc

    2009-08-01

    Nonlocal continuum mechanics allows one to account for the small length scale effect that becomes significant when dealing with micro- or nano-structures. This Note investigates a model of wave propagation in a nonlocal elastic material. We show that a dispersive wave equation is obtained from a nonlocal elastic constitutive law, based on a mixture of a local and a nonlocal strain. This model comprises both the classical gradient model and the Eringen's integral model. The dynamic properties of the model are discussed, and corroborate well some recent theoretical studies published to unify both static and dynamics gradient elasticity theories. Moreover, an excellent matching of the dispersive curve of the Born-Kármán model of lattice dynamics is obtained with such nonlocal model. To cite this article: N. Challamel et al., C. R. Mecanique 337 (2009).

  20. Virial Theorem in Nonlocal Newtonian Gravity

    NASA Astrophysics Data System (ADS)

    Mashhoon, Bahram

    2016-05-01

    Nonlocal gravity is the recent classical nonlocal generalization of Einstein's theory of gravitation in which the past history of the gravitational field is taken into account. In this theory, nonlocality appears to simulate dark matter. The virial theorem for the Newtonian regime of nonlocal gravity theory is derived and its consequences for "isolated" astronomical systems in virial equilibrium at the present epoch are investigated. In particular, for a sufficiently isolated nearby galaxy in virial equilibrium, the galaxy's baryonic diameter---namely, the diameter of the smallest sphere that completely surrounds the baryonic system at the present time---is predicted to be larger than the effective dark matter fraction times a universal length that is the basic nonlocality length scale of about 3 kpc.

  1. A fully-relativistic full-potential-linearized-augmented-plane-wave study of the (1 1 1) surface of δ-Pu

    NASA Astrophysics Data System (ADS)

    Gong, H. R.; Ray, A. K.

    2006-06-01

    Full-potential linearized-augmented-plane-wave calculations indicate that the antiferromagnetic state including spin-orbit coupling effect is the ground state of bulk δ-Pu with a lattice constant of 8.66 a.u. and a bulk modulus of 32.8 GPa. It is found that spin-polarization and spin-orbit coupling effects play competing roles in the localization to delocalization behavior of 5f electrons. The optimized lattice constants of δ-Pu bulk are used to calculate the electronic structure properties of δ-Pu(1 1 1) films up to seven layers at six theoretical levels, namely non-spin-polarized-no-spin-orbit-coupling (NSP-NSO), non-spin-polarized-spin-orbit-coupling (NSP-SO), spin-polarized-no-spin-orbit-coupling (SP-NSO), spin-polarized-spin-orbit-coupling (SP-SO), antiferromagnetic-no-spin-orbit-coupling (AFM-NSO), and antiferromagnetic-spin-orbit-coupling (AFM-SO). For the δ-Pu(1 1 1) films also, AFM-SO is found to be the ground state. For the films, surface energy rapidly converges and the semi-infinite surface energy is predicted to be 1.16 J/m 2. On the other hand, the magnetic moments show an oscillating behavior, gradually approaching the bulk value of zero with increase in the number of layers. It is also predicted that the work function of δ-Pu(1 1 1) films at the AFM-SO ground state is approximately 3.41 eV, and the work function shows some oscillations when the number of layers is less than five, while it becomes relatively stable when the number of layers is greater than five. This suggests that a 3-layer film might be sufficient for computations of, for example, adsorption energies while a 5-layer film may be necessary for precise computations of, for example, adsorbate-induced work function shifts. The calculated results are compared with other experimental and theoretical results in the literature and the agreements between them are excellent, given the complexity of the physical systems and different computational formalisms.

  2. The relationship between specific absorption rate and temperature elevation in anatomically based human body models for plane wave exposure from 30 MHz to 6 GHz

    NASA Astrophysics Data System (ADS)

    Hirata, Akimasa; Laakso, Ilkka; Oizumi, Takuya; Hanatani, Ryuto; Chan, Kwok Hung; Wiart, Joe

    2013-02-01

    According to the international safety guidelines/standard, the whole-body-averaged specific absorption rate (Poljak et al 2003 IEEE Trans. Electromagn. Compat. 45 141-5) and the peak spatial average SAR are used as metrics for human protection from whole-body and localized exposures, respectively. The IEEE standard (IEEE 2006 IEEE C95.1) indicates that the upper boundary frequency, over which the whole-body-averaged SAR is deemed to be the basic restriction, has been reduced from 6 to 3 GHz, because radio-wave energy is absorbed around the body surface when the frequency is increased. However, no quantitative discussion has been provided to support this description especially from the standpoint of temperature elevation. It is of interest to investigate the maximum temperature elevation in addition to the core temperature even for a whole-body exposure. In the present study, using anatomically based human models, we computed the SAR and the temperature elevation for a plane-wave exposure from 30 MHz to 6 GHz, taking into account the thermoregulatory response. As the primary result, we found that the ratio of the core temperature elevation to the whole-body-averaged SAR is almost frequency independent for frequencies below a few gigahertz; the ratio decreases above this frequency. At frequencies higher than a few gigahertz, core temperature elevation for the same whole-body averaged SAR becomes lower due to heat convection from the skin to air. This lower core temperature elevation is attributable to skin temperature elevation caused by the power absorption around the body surface. Then, core temperature elevation even for whole-body averaged SAR of 4 W kg-1 with the duration of 1 h was at most 0.8 °C, which is smaller than a threshold considered in the safety guidelines/standard. Further, the peak 10 g averaged SAR is correlated with the maximum body temperature elevations without extremities and pinna over the frequencies considered. These findings were confirmed

  3. Can EPR non-locality be geometrical?

    SciTech Connect

    Ne`eman, Y. |; Botero, A.

    1995-10-01

    The presence in Quantum Mechanics of non-local correlations is one of the two fundamentally non-intuitive features of that theory. The non-local correlations themselves fall into two classes: EPR and Geometrical. The non-local characteristics of the geometrical type are well-understood and are not suspected of possibly generating acausal features, such as faster-than-light propagation of information. This has especially become true since the emergence of a geometrical treatment for the relevant gauge theories, i.e. Fiber Bundle geometry, in which the quantum non-localities are seen to correspond to pure homotopy considerations. This aspect is reviewed in section 2. Contrary-wise, from its very conception, the EPR situation was felt to be paradoxical. It has been suggested that the non-local features of EPR might also derive from geometrical considerations, like all other non-local characteristics of QM. In[7], one of the authors was able to point out several plausibility arguments for this thesis, emphasizing in particular similarities between the non-local correlations provided by any gauge field theory and those required by the preservation of the quantum numbers of the original EPR state-vector, throughout its spatially-extended mode. The derivation was, however, somewhat incomplete, especially because of the apparent difference between, on the one hand, the closed spatial loops arising in the analysis of the geometrical non-localities, from Aharonov-Bohm and Berry phases to magnetic monopoles and instantons, and on the other hand, in the EPR case, the open line drawn by the positions of the two moving decay products of the disintegrating particle. In what follows, the authors endeavor to remove this obstacle and show that as in all other QM non-localities, EPR is somehow related to closed loops, almost involving homotopy considerations. They develop this view in section 3.

  4. Experimental test of nonlocal causality.

    PubMed

    Ringbauer, Martin; Giarmatzi, Christina; Chaves, Rafael; Costa, Fabio; White, Andrew G; Fedrizzi, Alessandro

    2016-08-01

    Explaining observations in terms of causes and effects is central to empirical science. However, correlations between entangled quantum particles seem to defy such an explanation. This implies that some of the fundamental assumptions of causal explanations have to give way. We consider a relaxation of one of these assumptions, Bell's local causality, by allowing outcome dependence: a direct causal influence between the outcomes of measurements of remote parties. We use interventional data from a photonic experiment to bound the strength of this causal influence in a two-party Bell scenario, and observational data from a Bell-type inequality test for the considered models. Our results demonstrate the incompatibility of quantum mechanics with a broad class of nonlocal causal models, which includes Bell-local models as a special case. Recovering a classical causal picture of quantum correlations thus requires an even more radical modification of our classical notion of cause and effect. PMID:27532045

  5. Experimental test of nonlocal causality

    PubMed Central

    Ringbauer, Martin; Giarmatzi, Christina; Chaves, Rafael; Costa, Fabio; White, Andrew G.; Fedrizzi, Alessandro

    2016-01-01

    Explaining observations in terms of causes and effects is central to empirical science. However, correlations between entangled quantum particles seem to defy such an explanation. This implies that some of the fundamental assumptions of causal explanations have to give way. We consider a relaxation of one of these assumptions, Bell’s local causality, by allowing outcome dependence: a direct causal influence between the outcomes of measurements of remote parties. We use interventional data from a photonic experiment to bound the strength of this causal influence in a two-party Bell scenario, and observational data from a Bell-type inequality test for the considered models. Our results demonstrate the incompatibility of quantum mechanics with a broad class of nonlocal causal models, which includes Bell-local models as a special case. Recovering a classical causal picture of quantum correlations thus requires an even more radical modification of our classical notion of cause and effect. PMID:27532045

  6. Nonlocality of the Aharonov-Bohm effect

    NASA Astrophysics Data System (ADS)

    Aharonov, Yakir; Cohen, Eliahu; Rohrlich, Daniel

    2016-04-01

    Although the Aharonov-Bohm and related effects are familiar in solid-state and high-energy physics, the nonlocality of these effects has been questioned. Here we show that the Aharonov-Bohm effect has two very different aspects. One aspect is instantaneous and nonlocal; the other aspect, which depends on entanglement, unfolds continuously over time. While local, gauge-invariant variables may occasionally suffice for explaining the continuous aspect, we argue that they cannot explain the instantaneous aspect. Thus the Aharonov-Bohm effect is, in general, nonlocal.

  7. All entangled quantum states are nonlocal.

    PubMed

    Buscemi, Francesco

    2012-05-18

    Departing from the usual paradigm of local operations and classical communication adopted in entanglement theory, we study here the interconversion of quantum states by means of local operations and shared randomness. A set of necessary and sufficient conditions for the existence of such a transformation between two given quantum states is given in terms of the payoff they yield in a suitable class of nonlocal games. It is shown that, as a consequence of our result, such a class of nonlocal games is able to witness quantum entanglement, however weak, and reveal nonlocality in any entangled quantum state. An example illustrating this fact is provided. PMID:23003127

  8. Determination of the structure factor of simple liquid metals from the pseudopotential theory and optimized random-phase approximation: Application to Al and Ga

    NASA Astrophysics Data System (ADS)

    Bretonnet, J. L.; Regnaut, C.

    1985-04-01

    We present the results of calculations of the static structure factor S(q) of liquid Al and Ga at the melting point. These calculations were motivated because many simple liquid metals exhibit structure anomalies taking the form of a shoulder on the main peak or even an asymmetry in the peak itself, while other liquid metals are correctly predicted by the standard models of liquid structure. Al and Ga have similar valence, electronic density, and size of their ionic radius; therefore, their pair potentials are somewhat similar. Despite this, their structure factors display most of the differences that can be observed among the variety of liquid metals. Starting from the Shaw optimized model potential [Phys. Rev. 174, 769 (1968)], a pair potential is constructed. A comparative examination of the electron-gas response function of Vashishta and Singwi [Phys. Rev. B 6, 875 (1972)] and of Ichimaru and Utsumi [Phys. Rev. B 24, 7385 (1981)] is carried out. Different depletion hole distributions are also used and full nonlocality is taken into account through effective masses. So S(q) is calculated by means of the optimized random-phase approximation. Particular attention is also devoted to the low-q region. By comparison with Monte Carlo computation, we show the limitation of various thermodynamic perturbation methods, such as the random-phase approximation or the soft-sphere model. The study of S(q) provides a stringent test of the model potential, where the electron-ion pseudopotential and the local-field correction are of prime importance, but where effective masses and depletion hole distribution may also have a role to play.

  9. The relationship between specific absorption rate and temperature elevation in anatomically based human body models for plane wave exposure from 30 MHz to 6 GHz.

    PubMed

    Hirata, Akimasa; Laakso, Ilkka; Oizumi, Takuya; Hanatani, Ryuto; Chan, Kwok Hung; Wiart, Joe

    2013-02-21

    According to the international safety guidelines/standard, the whole-body-averaged specific absorption rate (Poljak et al 2003 IEEE Trans. Electromagn. Compat. 45 141-5) and the peak spatial average SAR are used as metrics for human protection from whole-body and localized exposures, respectively. The IEEE standard (IEEE 2006 IEEE C95.1) indicates that the upper boundary frequency, over which the whole-body-averaged SAR is deemed to be the basic restriction, has been reduced from 6 to 3 GHz, because radio-wave energy is absorbed around the body surface when the frequency is increased. However, no quantitative discussion has been provided to support this description especially from the standpoint of temperature elevation. It is of interest to investigate the maximum temperature elevation in addition to the core temperature even for a whole-body exposure. In the present study, using anatomically based human models, we computed the SAR and the temperature elevation for a plane-wave exposure from 30 MHz to 6 GHz, taking into account the thermoregulatory response. As the primary result, we found that the ratio of the core temperature elevation to the whole-body-averaged SAR is almost frequency independent for frequencies below a few gigahertz; the ratio decreases above this frequency. At frequencies higher than a few gigahertz, core temperature elevation for the same whole-body averaged SAR becomes lower due to heat convection from the skin to air. This lower core temperature elevation is attributable to skin temperature elevation caused by the power absorption around the body surface. Then, core temperature elevation even for whole-body averaged SAR of 4 W kg(-1) with the duration of 1 h was at most 0.8 °C, which is smaller than a threshold considered in the safety guidelines/standard. Further, the peak 10 g averaged SAR is correlated with the maximum body temperature elevations without extremities and pinna over the frequencies considered. These findings

  10. Nonlocal ordinary magnetoresistance in indium arsenide

    NASA Astrophysics Data System (ADS)

    Liu, Pan.; Yuan, Zhonghui.; Wu, Hao.; Ali, S. S.; Wan, Caihua.; Ban, Shiliang.

    2015-07-01

    Deflection of carriers by Lorentz force results in an ordinary magnetoresistance (OMR) of (μB)2 at low field. Here we demonstrate that the OMR in high mobility semiconductor InAs could be enhanced by measurement geometry where two probes of voltmeter were both placed on one outer side of two probes of current source. The nonlocal OMR was 3.6 times as large as the local one, reaching 1.8×104% at 5 T. The slope of the linear field dependence of the nonlocal OMR was improved from 12.6 T-1 to 45.3 T-1. The improvement was ascribed to polarity-conserved charges accumulating on boundaries in nonlocal region due to Hall effect. This InAs device with nonlocal geometry could be competitive in B-sensors due to its high OMR ratio, linear field dependence and simple structure.

  11. Development of a spinor ab initio pseudopotential method and its application to spintronic materials

    NASA Astrophysics Data System (ADS)

    Theurich, Gerhard Jakob

    2001-12-01

    This thesis describes the extension of the density functional ab initio pseudopotential method to include the relativistic effect of spin-orbit coupling and non-collinear spin-polarizations within a generalized local density approximation. In contrast to conventional implementations, that neglect spin-orbit coupling and non-collinearity, the wavefunctions no longer separate into spatial and spin components, and are treated as general spinors. The implementation is applied to non-magnetic and magnetic systems with an emphasis on their spin properties. For GaAs and ZnSe the effects of relativistic corrections are studied focusing on the spin splittings of electronic bands, which are of great importance for spin relaxation in zincblende semiconductors. In the magnetic compounds MnSe and MnAs the reduced symmetry of the fully relativistic problem leads to small non-collinear arrangements of the self-consistent spin moments. Finally, the influence of spin-orbit coupling on the conduction and valence band exchange constants in dilute magnetic semiconductors is investigated, using the fully relativistic pseudopotential method. The results support the use of the scalar-relativistic approximation in such calculations.

  12. Study of superconducting state parameters of amorphous metals by a pseudopotential theory

    NASA Astrophysics Data System (ADS)

    Vora, Aditya

    2008-06-01

    The theoretical computation of the superconducting state parameters (SSP) viz; electron-phonon coupling strength λ, Coulomb pseudopotential μ *, transition temperature T c, isotope effect exponent α and effective interaction strength N O V of some monovalent (Cu and Au), divalent (Ca, Sr, Ba, αHg, βHg and Ra) and polyvalent (Lu, Rh, Sc, Y, La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Ac, Th, Hf, Ru, Os, Ir, V, Ta, Pa, Cr, Mo, U, Re, Np and Pu) amorphous metals based on the different groups of the periodic table have been carried out for the first time using the well known Ashcroft's empty core (EMC) model pseudopotential. Herein, we have employed five different types of local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) to study the exchange and correlation effects on the present investigations. A very strong influence of all the exchange and correlation functions have been observed in the present study. Our results are in fair agreement with documented theoretical as well as experimental data. A strong dependency of the SSP of amorphous metals on the valency Z was found.

  13. Study of superconducting state parameters of amorphous metals by a pseudopotential theory

    NASA Astrophysics Data System (ADS)

    Vora, Aditya M.

    2008-06-01

    The theoretical computation of the superconducting state parameters (SSP) viz; electron-phonon coupling strength λ, Coulomb pseudopotential μ *, transition temperature T c , isotope effect exponent α and effective interaction strength N O V of some monovalent (Cu and Au), divalent (Ca, Sr, Ba, αHg, βHg and Ra) and polyvalent (Lu, Rh, Sc, Y, La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Ac, Th, Hf, Ru, Os, Ir, V, Ta, Pa, Cr, Mo, U, Re, Np and Pu) amorphous metals based on the different groups of the periodic table have been carried out for the first time using the well known Ashcroft’s empty core (EMC) model pseudopotential. Herein, we have employed five different types of local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) to study the exchange and correlation effects on the present investigations. A very strong influence of all the exchange and correlation functions have been observed in the present study. Our results are in fair agreement with documented theoretical as well as experimental data. A strong dependency of the SSP of amorphous metals on the valency Z was found.

  14. Nonlocality with ultracold atoms in a lattice

    NASA Astrophysics Data System (ADS)

    Pelisson, Sophie; Pezzè, Luca; Smerzi, Augusto

    2016-02-01

    We study the creation of nonlocal states with ultracold atoms trapped in an optical lattice. We show that these states violate Bell inequality by measuring one- and two-body correlations. Our scheme only requires beam-splitting operations and global phase shifts, and can be realized within the current technology, employing single-site addressing. This proposal paves the way to study multipartite nonlocality and entanglement in ultracold-atomic systems.

  15. Nonsmooth feedback controls of nonlocal dispersal models

    NASA Astrophysics Data System (ADS)

    Malaguti, Luisa; Rubbioni, Paola

    2016-03-01

    The paper deals with a nonlocal diffusion equation which is a model for biological invasion and disease spread. A nonsmooth feedback control term is included and the existence of controlled dynamics is proved, satisfying different kinds of nonlocal condition. Jump discontinuities appear in the process. The existence of optimal control strategies is also shown, under suitably regular control functionals. The investigation makes use of techniques of multivalued analysis and is based on the degree theory for condensing operators in Hilbert spaces.

  16. Structure of quantum and broadcasting nonlocal correlations

    NASA Astrophysics Data System (ADS)

    Saha, Debashis; Pawłowski, Marcin

    2015-12-01

    The multipartite setting offers much more complexity of nonlocality than the bipartite one. We analyze the structure of tripartite nonlocal correlations by proposing inequalities satisfied by each of type bilocal, broadcasting, and quantum but violated by the other two. One of the inequalities satisfied by broadcasting correlations is generalized for multipartite systems. The study of its quantum mechanical violation reveals that Greenberger-Horne-Zeilinger-like states exhibit new, powerful correlations.

  17. Symmetric states: Their nonlocality and entanglement

    SciTech Connect

    Wang, Zizhu; Markham, Damian

    2014-12-04

    The nonlocality of permutation symmetric states of qubits is shown via an extension of the Hardy paradox and the extension of the associated inequality. This is achieved by using the Majorana representation, which is also a powerful tool in the study of entanglement properties of symmetric states. Through the Majorana representation, different nonlocal properties can be linked to different entanglement properties of a state, which is useful in determining the usefulness of different states in different quantum information processing tasks.

  18. Chaotic Orbits for Systems of Nonlocal Equations

    NASA Astrophysics Data System (ADS)

    Dipierro, Serena; Patrizi, Stefania; Valdinoci, Enrico

    2016-07-01

    We consider a system of nonlocal equations driven by a perturbed periodic potential. We construct multibump solutions that connect one integer point to another one in a prescribed way. In particular, heteroclinic, homoclinic and chaotic trajectories are constructed. This is the first attempt to consider a nonlocal version of this type of dynamical systems in a variational setting and the first result regarding symbolic dynamics in a fractional framework.

  19. Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16-18 elements

    SciTech Connect

    Peterson, Kirk A.; Figgen, Detlev; Goll, Erich; Stoll, Hermann; Dolg, Michael F.

    2003-12-01

    Series of correlation consistent basis sets have been developed for the post-d group 16-18 elements in conjunction with small-core relativistic pseudopotentials (PPs) of the energy-consistent variety. The latter were adjusted to multiconfiguration Dirac-Hartree-Fock data based on the Dirac-Coulomb-Breit Hamiltonian. The outer-core (n-1)spd shells are explicitly treated together with the nsp valence shell with these PPs. The accompanying cc-pVnZ-PP and aug-cc-pVnZ-PP basis sets range in size from DZ to 5Z quality and yield systematic convergence of both Hartree-Fock and correlated total energies. In addition to the calculation of atomic electron affinities and dipole polarizabilities of the rare gas atoms, numerous molecular benchmark calculations (HBr, HI, HAt, Br2, I2, At2, SiSe, SiTe, SiPo, KrH+, XeH+, and RnH+) are also reported at the coupled cluster level of theory. For the purposes of comparison, all-electron calculations using the Douglas-Kroll-Hess Hamiltonian have also been carried out for the halogen-containing molecules using basis sets of 5Z quality.

  20. Effects of nonlocality on transfer reactions

    NASA Astrophysics Data System (ADS)

    Titus, Luke

    Nuclear reactions play a key role in the study of nuclei away from stability. Single-nucleon transfer reactions involving deuterons provide an exceptional tool to study the single-particle structure of nuclei. Theoretically, these reactions are attractive as they can be cast into a three-body problem composed of a neutron, proton, and the target nucleus. Optical potentials are a common ingredient in reactions studies. Traditionally, nucleon-nucleus optical potentials are made local for convenience. The effects of nonlocal potentials have historically been included approximately by applying a correction factor to the solution of the corresponding equation for the local equivalent interaction. This is usually referred to as the Perey correction factor. In this thesis, we have systematically investigated the effects of nonlocality on (p,d) and (d,p) transfer reactions, and the validity of the Perey correction factor. We implemented a method to solve the single channel nonlocal equation for both bound and scattering states. We also developed an improved formalism for nonlocal interactions that includes deuteron breakup in transfer reactions. This new formalism, the nonlocal adiabatic distorted wave approximation, was used to study the effects of including nonlocality consistently in ( d,p) transfer reactions. For the (p,d) transfer reactions, we solved the nonlocal scattering and bound state equations using the Perey-Buck type interaction, and compared to local equivalent calculations. Using the distorted wave Born approximation we construct the T-matrix for (p,d) transfer on 17O, 41Ca, 49Ca, 127 Sn, 133Sn, and 209Pb at 20 and 50 MeV. Additionally we studied (p,d) reactions on 40Ca using the the nonlocal dispersive optical model. We have also included nonlocality consistently into the adiabatic distorted wave approximation and have investigated the effects of nonlocality on on (d,p) transfer reactions for deuterons impinged on 16O, 40Ca, 48Ca, 126Sn, 132Sn, 208Pb at 10

  1. Dark matter from spacetime nonlocality

    NASA Astrophysics Data System (ADS)

    Saravani, Mehdi; Aslanbeigi, Siavash

    2015-11-01

    We propose that dark matter is not yet another new particle in nature, but that it is a remnant of quantum gravitational effects on known fields. We arrive at this possibility in an indirect and surprising manner: by considering retarded, nonlocal, and Lorentzian evolution for quantum fields. This is inspired by recent developments in causal set theory, where such an evolution shows up as the continuum limit of scalar field propagation on a background causal set. Concretely, we study the quantum theory of a massless scalar field whose evolution is given not by the the d'Alembertian □, but by an operator □˜ which is Lorentz invariant, reduces to □ at low energies, and defines an explicitly retarded evolution: (□˜ϕ )(x ) only depends on ϕ (y ), where y is in the causal past of x . This modification results in the existence of a continuum of massive particles, in addition to the usual massless ones, in the free theory. When interactions are introduced, these massive or off-shell quanta can be produced by the scattering of massless particles, but once produced, they no longer interact, which makes them a natural candidate for dark matter.

  2. Nonlocality in deuteron stripping reactions.

    PubMed

    Timofeyuk, N K; Johnson, R C

    2013-03-15

    We propose a new method for the analysis of deuteron stripping reactions, A(d,p)B, in which the nonlocality of nucleon-nucleus interactions and three-body degrees of freedom are accounted for in a consistent way. The model deals with equivalent local nucleon potentials taken at an energy shifted by ∼40  MeV from the "E(d)/2" value frequently used in the analysis of experimental data, where E(d) is the incident deuteron energy. The "E(d)/2" rule lies at the heart of all three-body analyses of (d, p) reactions performed so far with the aim of obtaining nuclear structure properties such as spectroscopic factors and asymptotic normalization coefficients that are crucial for our understanding of nuclear shell evolution in neutron- and proton-rich regions of the nuclear periodic table and for predicting the cross sections of stellar reactions. The large predicted shift arises from the large relative kinetic energy of the neutron and proton in the incident deuteron in those components of the n+p+A wave function that dominate the (d, p) reaction amplitude. The large shift reduces the effective d-A potentials and leads to a change in predicted (d, p) cross sections, thus affecting the interpretation of these reactions in terms of nuclear structure. PMID:25166525

  3. Nonlocality of orthogonal product states

    NASA Astrophysics Data System (ADS)

    Zhang, Zhi-Chao; Gao, Fei; Qin, Su-Juan; Yang, Ying-Hui; Wen, Qiao-Yan

    2015-07-01

    In this paper, we mainly study the local indistinguishability of mutually orthogonal product basis quantum states in d ⊗d . In 3 ⊗3 , Bennett et al. [ Phys. Rev. A 59, 1070 (1999), 10.1103/PhysRevA.59.1070] presented nine orthogonal product basis quantum states which cannot be distinguished by local operations and classical communication (LOCC). In the work by Zhang et al. [Z.-C. Zhang et al., Phys. Rev. A 90, 022313 (2014), 10.1103/PhysRevA.90.022313], this result was generalized in d ⊗d , where d is odd. In this paper, we aim to construct locally indistinguishable orthogonal product basis quantum states in d ⊗d . For the general d ⊗d (d >2 ) quantum system, we first construct 4 d -4 orthogonal product states, and prove these states are locally indistinguishable using a very simple but quite effective method. Then, based on these states, we construct some classes of locally indistinguishable orthogonal product basis quantum states (OPBS) in d ⊗d (d >2 ) . Finally, we construct some LOCC indistinguishable OPBS in multipartite quantum systems. All of the above results demonstrate the phenomenon of nonlocality without entanglement.

  4. Pseudopotential-based study of electron transport in low-dimensionality nanostructures

    NASA Astrophysics Data System (ADS)

    Fischetti, Massimo

    2013-03-01

    Pseudopotentials- empirical and ab initio - are now being more commonly used to study not only the atomic and electronic structure of nanometer-scale systems, but also their electronic transport properties. Here we shall give a bird-eye view of the use of density functional theory (DFT) to calibrate empirical pseudopotentials (EPs), of EPs to calculate efficiently the electronic structure of low-dimensionality systems, the most significant electronic scattering processes, and to study semiclassical and quantum electronic transport. Low-dimensionality systems considered here include thin semiconductor layers, graphene, graphene- and silicane-nanoribbons, and silicon nanowires. Regarding graphene, the high electron mobility measured in suspended graphene sheets (~ 200,000 cm2/Vs) is the result of a relatively weak carrier-phonon and the strong dielectric-screening property. However, in practical applications graphene is likely to be supported by an insulating substrate, top-gated, and possibly used in the form of narrow armchair-edge nanoribbons (aGNRs) in order to open a gap. We will discuss several scattering processes which may affect the electron transport properties in these situations. First, we shall present results of the calculation of the intrinsic electron-phonon scattering rates in suspended graphene using empirical pseudopotentials and the rigid-ion approximation, resulting in an electron mobility consistent with the experimental results. We shall then discuss the role of interfacial coupled substrate optical-phonon/graphene-plasmons in depressing the electron mobility in graphene supported by several insulators (SiO2, HfO2, Al2O3, and h-BN). We shall also discuss the role of Coulomb scattering with charged defects/impurities in gated graphene sheets and the role of the metal gate in screening this interaction. Finally, we shall review the strong effect of line edge roughness (LER) on electron transport and localization in narrow aGNRs resulting from the

  5. Study of Superconducting State Parameters of Transition Metals Binary Alloys by a Pseudopotential Approach

    NASA Astrophysics Data System (ADS)

    Vora, Aditya M.

    In the present article, we have reported the theoretical study of the superconducting state parameters (SSP) viz. electron-phonon coupling strength λ, Coulomb pseudopotential μ*, transition temperature TC, isotope effect exponent α and effective interaction strength N0V of a 3d-transition metal-based binary alloys using Ashcroft's empty core (EMC) model potential. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used in the present investigation to study the screening influence on the aforesaid properties. A considerable influence of various exchange and correlation functions on λ and μ* is found from the present study. The present results of the SSP are found in qualitative agreement with the available experimental data wherever they exist.

  6. Scalable real space pseudopotential-density functional codes for materials applications

    NASA Astrophysics Data System (ADS)

    Chelikowsky, James R.; Lena, Charles; Schofield, Grady; Saad, Yousef; Deslippe, Jack; Yang, Chao

    2015-03-01

    Real-space pseudopotential density functional theory has proven to be an efficient method for computing the properties of matter in many different states and geometries, including liquids, wires, slabs and clusters with and without spin polarization. Fully self-consistent solutions have been routinely obtained for systems with thousands of atoms. However, there are still systems where quantum mechanical accuracy is desired, but scalability proves to be a hindrance, such as large biological molecules or complex interfaces. We will present an overview of our work on new algorithms, which offer improved scalability by implementing another layer of parallelism, and by optimizing communication and memory management. Support provided by the SciDAC program, Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences. Grant Numbers DE-SC0008877 (Austin) and DE-FG02-12ER4 (Berkeley).

  7. Excited calculations of large scale multiwalled nanotubes using real-space pseudopotential methods

    NASA Astrophysics Data System (ADS)

    Lena, Charles; Chelikowsky, James; Deslippe, Jack; Saad, Yousef; Yang, Chao; Louie, Steven G.

    2015-03-01

    One method for calculating excited states is the GW method. The GW method has many computational requirements. One of the bottlenecks is the calculation of numerous empty states. Within density functional theory, we use a real-space pseudopotential method (PARSEC) to calculate these empty states for multiwalled nanotubes. We illustrate the use of these empty states for calculating excited states using the GW method (BerkeleyGW). We demonstrate why using real-space density functional theory is advantageous for calculating empty states. Support provided by the SciDAC program, Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences. Grant Numbers DE-SC0008877 (Austin) and DE-FG02-12ER4 (Berkeley)

  8. Atomic and Electronic Structures of C_60+BN Nanopeapods from ab initio Pseudopotential Calculations

    NASA Astrophysics Data System (ADS)

    Trave, Andrea; Ribeiro, Filipe; Louie, Steven G.; Cohen, Marvin L.

    2004-03-01

    Nanopeapods are structures of nanometric size consisting of an external carbon nanotube encapsulating a chain or complex array of fullerenes. Recent calculations and experiments have proven that nanopeapods can be obtained assembling fullerenes within boron nitride nanotubes, creating novel materials of possible interest for electronic transport applications. To improve the understanding of the properties of these composite systems, as compared to empty nanotubes and carbon nanopeapods, ab-initio total energy calculations have been performed within the pseudopotential Density Functional Theory in local density approximation. Results of these calculations on the energetics and geometrical deformations involved in the encapsulation will be presented, followed by a discussion of the consequences on the electronic structures of these systems, with particular focus on aspects relevant to electronic transport phenomena. This work is supported by NFS (Grant DMR00-87088) and DOE (Contract DE-AC03-76SF00098), using computational resources at NERSC and NPACI.

  9. On the pseudopotential approximation in the van der Waals density functional calculations

    NASA Astrophysics Data System (ADS)

    Hamada, Ikutaro; Callsen, Martin

    The van der Waals density functional (vdW-DF) is a density functional that is able to describe van der Waals and covalent interactions in a seamless fashion, and has been applied to a variety of systems. In practical calculations, the pseudopotential (PP) approximation has been employed, for which the PPs should be generated consistently for the chosen exchange correlation XC functional. However, usually PPs generated with a generalized gradient approximation (GGA) XC functional are used and the effect of the approximation to the XC functional applied in the PP generation is scarcely discussed. In this work, we discuss the appropriate XC functionals in the PP generation for the vdW-DF calculations. Furthermore, we compare the vdW-DF results for several systems using the PP's generated with appropriate XC and those with GGA XC.

  10. Four-component superlattice empirical pseudopotential method for InAs/GaSb superlattices

    NASA Astrophysics Data System (ADS)

    Masur, J.-M.; Rehm, R.; Schmitz, J.; Kirste, L.; Walther, M.

    2013-11-01

    For the design of InAs/GaSb superlattice (SL) heterojunction infrared photodetectors with very low dark current we have extended the standard two-component superlattice empirical pseudopotential method (SEPM) and implemented a four-component model including interface layers. For both models, the calculated bandgap values for a set of SL samples are compared to bandgaps determined by photoluminescence measurements. While the bandgap resulting from the two-component model agrees well with experimental data for SL structures with individual layer thicknesses of 7 monolayers and more, we show that for SLs with thinner GaSb layers the four-component SEPM model is accurate, when the As-content in the interface and barrier layers is included in the model.

  11. Maximally nonlocal theories cannot be maximally random.

    PubMed

    de la Torre, Gonzalo; Hoban, Matty J; Dhara, Chirag; Prettico, Giuseppe; Acín, Antonio

    2015-04-24

    Correlations that violate a Bell inequality are said to be nonlocal; i.e., they do not admit a local and deterministic explanation. Great effort has been devoted to study how the amount of nonlocality (as measured by a Bell inequality violation) serves to quantify the amount of randomness present in observed correlations. In this work we reverse this research program and ask what do the randomness certification capabilities of a theory tell us about the nonlocality of that theory. We find that, contrary to initial intuition, maximal randomness certification cannot occur in maximally nonlocal theories. We go on and show that quantum theory, in contrast, permits certification of maximal randomness in all dichotomic scenarios. We hence pose the question of whether quantum theory is optimal for randomness; i.e., is it the most nonlocal theory that allows maximal randomness certification? We answer this question in the negative by identifying a larger-than-quantum set of correlations capable of this feat. Not only are these results relevant to understanding quantum mechanics' fundamental features, but also put fundamental restrictions on device-independent protocols based on the no-signaling principle. PMID:25955039

  12. Effects of d-electrons in pseudopotential screened-exchange density functional calculations

    NASA Astrophysics Data System (ADS)

    Lee, Byounghak; Wang, Lin-Wang; Canning, Andrew

    2008-06-01

    We report a theoretical study on the role of shallow d states in the screened-exchange local density approximation (sX-LDA) band structure of binary semiconductor systems. We found that inaccurate pseudo-wave functions can lead to (1) an overestimation of the screened-exchange interaction between the localized d states and the delocalized higher energy s and p states, and (2) an underestimation of the screened-exchange interaction between the d states. The resulting sX-LDA band structures have substantially smaller band gaps compared with experiments. We correct the pseudo-wave functions of d states by including the semicore s and p states of the same shell in the valence states. The correction of pseudo-wave functions yields band gaps and d-state binding energies in good agreement with experiments and the full potential linearized augmented plane wave sX-LDA calculations. Compared with the quasiparticle GW method, our sX-LDA results shows not only similar quality on the band gaps but also much better d-state binding energies. Combined with its capability of ground-state structure calculation, the sX-LDA is expected to be a valuable theoretical tool for the II-VI and III-V (especially the III-N) bulk semiconductors and nanostructure studies.

  13. Effects of d-electrons in pseudopotential screened-exchange density functional calculations

    SciTech Connect

    Lee, Byounghak; Canning, Andrew; Wang, Lin-Wang

    2007-09-12

    We report a theoretical study on the role of shallow d states in the screened-exchange local density approximation (sX-LDA) band structure of binary semiconductor systems.We found that inaccurate pseudo-wavefunctions can lead to 1) an overestimation of the screened-exchange interaction betweenthe localized d states and the delocalized higher energy s and p states and 2) an underestimation of the screened-exchange interaction between the d states. The resulting sX-LDA band structures have substantially smaller band gaps compared with experiments. We correct the pseudo-wavefunctions of d states by including the semicore s and p states of the same shell in the valence states. The correction of pseudo-wavefunctions yields band gaps and d state binding energies in good agreement with experiments and the full potential linearized augmented plane wave sX-LDA calculations. Compared with the quasi-particle GW method, our sX-LDA results shows not only similar quality on the band gaps but also much better d state binding energies. Combined with its capability of ground state structure calculation, the sX-LDA is expected to be a valuable theoretical tool for the II-VI and III-V (especially the III-N) bulk semiconductors and nanostructure studies.

  14. Effectively nonlocal metric-affine gravity

    NASA Astrophysics Data System (ADS)

    Golovnev, Alexey; Koivisto, Tomi; Sandstad, Marit

    2016-03-01

    In metric-affine theories of gravity such as the C-theories, the spacetime connection is associated to a metric that is nontrivially related to the physical metric. In this article, such theories are rewritten in terms of a single metric, and it is shown that they can be recast as effectively nonlocal gravity. With some assumptions, known ghost-free theories with nonsingular and cosmologically interesting properties may be recovered. Relations between different formulations are analyzed at both perturbative and nonperturbative levels, taking carefully into account subtleties with boundary conditions in the presence of integral operators in the action, and equivalences between theories related by nonlocal redefinitions of the fields are verified at the level of equations of motion. This suggests a possible geometrical interpretation of nonlocal gravity as an emergent property of non-Riemannian spacetime structure.

  15. Nonlocal spectroscopy of Andreev bound states

    NASA Astrophysics Data System (ADS)

    Schindele, J.; Baumgartner, A.; Maurand, R.; Weiss, M.; Schönenberger, C.

    2014-01-01

    We experimentally investigate Andreev bound states (ABSs) in a carbon nanotube quantum dot (QD) connected to a superconducting Nb lead (S). A weakly coupled normal metal contact acts as a tunnel probe that measures the energy dispersion of the ABSs. Moreover, we study the response of the ABS to nonlocal transport processes, namely, Cooper pair splitting and elastic co-tunnelling, which are enabled by a second QD fabricated on the same nanotube on the opposite side of S. We find an appreciable nonlocal conductance with a rich structure, including a sign reversal at the ground-state transition from the ABS singlet to a degenerate magnetic doublet. We describe our device by a simple rate equation model that captures the key features of our observations and demonstrates that the sign of the nonlocal conductance is a measure for the charge distribution of the ABS, given by the respective Bogoliubov-de Gennes amplitudes u and v.

  16. Nonlocal Markovian models for image denoising

    NASA Astrophysics Data System (ADS)

    Salvadeo, Denis H. P.; Mascarenhas, Nelson D. A.; Levada, Alexandre L. M.

    2016-01-01

    Currently, the state-of-the art methods for image denoising are patch-based approaches. Redundant information present in nonlocal regions (patches) of the image is considered for better image modeling, resulting in an improved quality of filtering. In this respect, nonlocal Markov random field (MRF) models are proposed by redefining the energy functions of classical MRF models to adopt a nonlocal approach. With the new energy functions, the pairwise pixel interaction is weighted according to the similarities between the patches corresponding to each pair. Also, a maximum pseudolikelihood estimation of the spatial dependency parameter (β) for these models is presented here. For evaluating this proposal, these models are used as an a priori model in a maximum a posteriori estimation to denoise additive white Gaussian noise in images. Finally, results display a notable improvement in both quantitative and qualitative terms in comparison with the local MRFs.

  17. Hardy's criterion of nonlocality for mixed states

    SciTech Connect

    Ghirardi, GianCarlo; Marinatto, Luca

    2006-03-15

    We generalize Hardy's proof of nonlocality to the case of bipartite mixed statistical operators, and we exhibit a necessary condition which has to be satisfied by any given mixed state {sigma} in order that a local and realistic hidden variable model exists which accounts for the quantum mechanical predictions implied by {sigma}. Failure of this condition will imply both the impossibility of any local explanation of certain joint probability distributions in terms of hidden variables and the nonseparability of the considered mixed statistical operator. Our result can be also used to determine the maximum amount of noise, arising from imperfect experimental implementations of the original Hardy's proof of nonlocality, in presence of which it is still possible to put into evidence the nonlocal features of certain mixed states.

  18. Nonlocal formulation of spin Coulomb drag

    NASA Astrophysics Data System (ADS)

    D'Amico, I.; Ullrich, C. A.

    2013-10-01

    The spin Coulomb drag (SCD) effect occurs in materials and devices where charged carriers with different spins exchange momentum via Coulomb scattering. This causes frictional forces between spin-dependent currents that lead to intrinsic dissipation, which may limit spintronics applications. A nonlocal formulation of SCD is developed which is valid for strongly inhomogeneous systems such as nanoscale spintronics devices. This nonlocal formulation of SCD is successfully applied to linewidths of intersubband spin plasmons in semiconductor quantum wells, where experiments have shown that the local approximation fails.

  19. Reversed rainbow with a nonlocal metamaterial

    NASA Astrophysics Data System (ADS)

    Morgado, Tiago A.; Marcos, João S.; Costa, João T.; Costa, Jorge R.; Fernandes, Carlos A.; Silveirinha, Mário G.

    2014-12-01

    One of the intriguing potentials of metamaterials is the possibility to realize a nonlocal electromagnetic reaction, such that the effective medium response at a given point is fundamentally entangled with the macroscopic field distribution at long distances. Here, it is experimentally and numerically verified that a microwave nonlocal metamaterial formed by crossed metallic wires enables a low-loss broadband anomalous material response such that the refractive index decreases with frequency. Notably, it is shown that an electromagnetic beam refracted by our metamaterial prism creates a reversed microwave rainbow.

  20. Experimental nonlocal and surreal Bohmian trajectories.

    PubMed

    Mahler, Dylan H; Rozema, Lee; Fisher, Kent; Vermeyden, Lydia; Resch, Kevin J; Wiseman, Howard M; Steinberg, Aephraim

    2016-02-01

    Weak measurement allows one to empirically determine a set of average trajectories for an ensemble of quantum particles. However, when two particles are entangled, the trajectories of the first particle can depend nonlocally on the position of the second particle. Moreover, the theory describing these trajectories, called Bohmian mechanics, predicts trajectories that were at first deemed "surreal" when the second particle is used to probe the position of the first particle. We entangle two photons and determine a set of Bohmian trajectories for one of them using weak measurements and postselection. We show that the trajectories seem surreal only if one ignores their manifest nonlocality. PMID:26989784

  1. Reversed rainbow with a nonlocal metamaterial

    SciTech Connect

    Morgado, Tiago A. Marcos, João S.; Silveirinha, Mário G.; Costa, João T.; Costa, Jorge R.; Fernandes, Carlos A.

    2014-12-29

    One of the intriguing potentials of metamaterials is the possibility to realize a nonlocal electromagnetic reaction, such that the effective medium response at a given point is fundamentally entangled with the macroscopic field distribution at long distances. Here, it is experimentally and numerically verified that a microwave nonlocal metamaterial formed by crossed metallic wires enables a low-loss broadband anomalous material response such that the refractive index decreases with frequency. Notably, it is shown that an electromagnetic beam refracted by our metamaterial prism creates a reversed microwave rainbow.

  2. Observational viability and stability of nonlocal cosmology

    SciTech Connect

    Deser, S.; Woodard, R.P. E-mail: woodard@phys.ufl.edu

    2013-11-01

    We show that the nonlocal gravity models, proposed to explain current cosmic acceleration without dark energy, pass two essential tests: first, they can be defined so as not to alter the, observationally correct, general relativity predictions for gravitationally bound systems. Second, they are stable, ghost-free, with no additional excitations beyond those of general relativity. In this they differ from their, ghostful, localized versions. The systems' initial value constraints are the same as in general relativity, and our nonlocal modifications never convert the original gravitons into ghosts.

  3. Compressive Sensing via Nonlocal Smoothed Rank Function.

    PubMed

    Fan, Ya-Ru; Huang, Ting-Zhu; Liu, Jun; Zhao, Xi-Le

    2016-01-01

    Compressive sensing (CS) theory asserts that we can reconstruct signals and images with only a small number of samples or measurements. Recent works exploiting the nonlocal similarity have led to better results in various CS studies. To better exploit the nonlocal similarity, in this paper, we propose a non-convex smoothed rank function based model for CS image reconstruction. We also propose an efficient alternating minimization method to solve the proposed model, which reduces a difficult and coupled problem to two tractable subproblems. Experimental results have shown that the proposed method performs better than several existing state-of-the-art CS methods for image reconstruction. PMID:27583683

  4. Experimental nonlocal and surreal Bohmian trajectories

    PubMed Central

    Mahler, Dylan H.; Rozema, Lee; Fisher, Kent; Vermeyden, Lydia; Resch, Kevin J.; Wiseman, Howard M.; Steinberg, Aephraim

    2016-01-01

    Weak measurement allows one to empirically determine a set of average trajectories for an ensemble of quantum particles. However, when two particles are entangled, the trajectories of the first particle can depend nonlocally on the position of the second particle. Moreover, the theory describing these trajectories, called Bohmian mechanics, predicts trajectories that were at first deemed “surreal” when the second particle is used to probe the position of the first particle. We entangle two photons and determine a set of Bohmian trajectories for one of them using weak measurements and postselection. We show that the trajectories seem surreal only if one ignores their manifest nonlocality. PMID:26989784

  5. Non-locality Sudden Death in Tripartite Systems

    SciTech Connect

    Jaeger, Gregg; Ann, Kevin

    2009-03-10

    Bell non-locality sudden death is the disappearance of non-local properties in finite times under local phase noise, which decoheres states only in the infinite-time limit. We consider the relationship between decoherence, disentanglement, and Bell non-locality sudden death in bipartite and tripartite systems in specific large classes of state preparation.

  6. Modeling of Carbon Nanotube Composites Based on Nonlocal Elasticity Approach

    NASA Astrophysics Data System (ADS)

    Alavinasab, Ali; Jha, Ratneshwar; Ahmadi, G.

    2014-01-01

    Nonlocal continuum theory is studied for modeling stress distributions in nanocomposites. The second-order approximation in nonlocal theory is considered since the first-order approximation leads to an unacceptable solution. A representative volume element (RVE) of CNT composite is utilized to derive unknown constants in the nonlocal theory model. Stress distributions in RVE using nonlocal theory, classical elasticity, and finite element method are obtained. All three approaches yield the same force, but classical elasticity gives an incorrect value of first moment. Wave propagation studies show that the dispersion curve obtained by nonlocal theory is quite close to the atomic Born-von Karman model.

  7. Spiraling multivortex solitons in nonlocal nonlinear media.

    PubMed

    Buccoliero, Daniel; Desyatnikov, Anton S; Krolikowski, Wieslaw; Kivshar, Yuri S

    2008-01-15

    We demonstrate the existence of a broad class of higher-order rotating spatial solitons in nonlocal nonlinear media. We employ the generalized Hermite-Laguerre-Gaussian ansatz for constructing multivortex soliton solutions and study numerically their dynamics and stability. We discuss in detail the tripole soliton carrying two spiraling phase dislocations, or self-trapped optical vortices. PMID:18197238

  8. Nonlocality and entanglement via the Unruh effect

    SciTech Connect

    Tian, Zehua; Wang, Jieci; Jing, Jiliang

    2013-05-15

    Modeling the qubit by a two-level semiclassical detector coupled to a massless scalar field, we investigate how the Unruh effect affects the nonlocality and entanglement of two-qubit and three-qubit states when one of the entangled qubits is accelerated. Two distinct differences with the results of free field model in non-inertial frames are (i) for the two-qubit state, the CHSH inequality cannot be violated for sufficiently large but finite acceleration, furthermore, the concurrence will experience “sudden death”; and (ii) for the three-qubit state, not only does the entanglement vanish in the infinite acceleration limit, but also the Svetlichny inequality cannot be violated in the case of large acceleration. -- Highlights: ► We compare entanglement and nonlocality of two-level detector model with that of free field model in noninertial frame. ► Two-qubit state entanglement experiences “sudden death”. ► Three-qubit state entanglement vanishes in the infinite acceleration limit. ► Bipartite nonlocal correlations vanish for finite values of the acceleration. ► Tripartite nonlocal correlations vanish for finite values of the acceleration as well.

  9. Resonant and nonlocal properties of phononic metasolids

    NASA Astrophysics Data System (ADS)

    Torrent, Daniel; Pennec, Yan; Djafari-Rouhani, Bahram

    2015-11-01

    We derive a general theory of effective properties in metasolids based on phononic crystals with low frequency resonances. We demonstrate that in general these structures need to be described by means of a frequency-dependent and nonlocal anisotropic mass density, stiffness tensor and a third-rank coupling tensor, which shows that they behave like a nonlocal Willis medium. The effect of nonlocality and coupling tensor manifest themselves for some particular resonances, whereas they become negligible for other resonances. Considering the example of a two-dimensional phononic crystal, consisting of triangular arrangements of cylindrical shells in an elastic matrix, we show that its mass density tensor is strongly resonant and anisotropic presenting both positive and negative divergent values, while becoming scalar in the quasistatic limit. Moreover, it is found that the negative value of transverse component of the mass density is induced by a dipolar resonance, while that of the vertical component is induced by a monopolar one. Finally, the dispersion relation obtained by the effective parameters of the crystal is compared with the band structure, showing good agreement for the low-wave-number region, although the nonlocal effects are important given the existence of some resonant values of the wave number.

  10. 29 CFR 780.320 - Nonlocal minors.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... That Is Exempted From the Minimum Wage and Overtime Pay Requirements Under Section 13(a)(6) Statutory... 29 Labor 3 2010-07-01 2010-07-01 false Nonlocal minors. 780.320 Section 780.320 Labor Regulations Relating to Labor (Continued) WAGE AND HOUR DIVISION, DEPARTMENT OF LABOR STATEMENTS OF GENERAL POLICY...

  11. 29 CFR 780.320 - Nonlocal minors.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... That Is Exempted From the Minimum Wage and Overtime Pay Requirements Under Section 13(a)(6) Statutory... 29 Labor 3 2014-07-01 2014-07-01 false Nonlocal minors. 780.320 Section 780.320 Labor Regulations Relating to Labor (Continued) WAGE AND HOUR DIVISION, DEPARTMENT OF LABOR STATEMENTS OF GENERAL POLICY...

  12. 29 CFR 780.320 - Nonlocal minors.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... That Is Exempted From the Minimum Wage and Overtime Pay Requirements Under Section 13(a)(6) Statutory... 29 Labor 3 2011-07-01 2011-07-01 false Nonlocal minors. 780.320 Section 780.320 Labor Regulations Relating to Labor (Continued) WAGE AND HOUR DIVISION, DEPARTMENT OF LABOR STATEMENTS OF GENERAL POLICY...

  13. 29 CFR 780.320 - Nonlocal minors.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... That Is Exempted From the Minimum Wage and Overtime Pay Requirements Under Section 13(a)(6) Statutory... 29 Labor 3 2013-07-01 2013-07-01 false Nonlocal minors. 780.320 Section 780.320 Labor Regulations Relating to Labor (Continued) WAGE AND HOUR DIVISION, DEPARTMENT OF LABOR STATEMENTS OF GENERAL POLICY...

  14. 29 CFR 780.320 - Nonlocal minors.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... That Is Exempted From the Minimum Wage and Overtime Pay Requirements Under Section 13(a)(6) Statutory... 29 Labor 3 2012-07-01 2012-07-01 false Nonlocal minors. 780.320 Section 780.320 Labor Regulations Relating to Labor (Continued) WAGE AND HOUR DIVISION, DEPARTMENT OF LABOR STATEMENTS OF GENERAL POLICY...

  15. Nonlocal edge state transport in topological insulators

    NASA Astrophysics Data System (ADS)

    Protogenov, Alexander P.; Verbus, Valery A.; Chulkov, Evgueni V.

    2013-11-01

    We use the N-terminal scheme for studying the edge-state transport in two-dimensional topological insulators. We find the universal nonlocal response in the ballistic transport approach. This macroscopic exhibition of the topological order offers different areas for applications.

  16. Measuring non-local Lagrangian peak bias

    NASA Astrophysics Data System (ADS)

    Biagetti, Matteo; Chan, Kwan Chuen; Desjacques, Vincent; Paranjape, Aseem

    2014-06-01

    We investigate non-local Lagrangian bias contributions involving gradients of the linear density field, for which we have predictions from the excursion set peak formalism. We begin by writing down a bias expansion which includes all the bias terms, including the non-local ones. Having checked that the model furnishes a reasonable fit to the halo mass function, we develop a one-point cross-correlation technique to measure bias factors associated with χ2-distributed quantities. We validate the method with numerical realizations of peaks of Gaussian random fields before we apply it to N-body simulations. We focus on the lowest (quadratic) order non-local contributions -2χ _{10}(k_1\\cdot k_2) and χ _{01}[3(k_1\\cdot k_2)^2-k_1^2 k_2^2], where k_1, k_2 are wave modes. We can reproduce our measurement of χ10 if we allow for an offset between the Lagrangian halo centre-of-mass and the peak position. The sign and magnitude of χ10 is consistent with Lagrangian haloes sitting near linear density maxima. The resulting contribution to the halo bias can safely be ignored for M = 1013 M⊙ h-1, but could become relevant at larger halo masses. For the second non-local bias χ01 however, we measure a much larger magnitude than predicted by our model. We speculate that some of this discrepancy might originate from non-local Lagrangian contributions induced by non-spherical collapse.

  17. Ab initio molecular dynamics simulations of the static, dynamic and electronic properties of liquid lead using real-space pseudopotentials

    SciTech Connect

    Alemany, Manuel M. G.; Longo, Roberto; Gallego, Luis; Gonzales, D. J.; Gonzales, L. E.; Tiago, Murilo L; Chelikowsky, James

    2007-01-01

    We performed a comprehensive study of the static, dynamic and electronic properties of liquid Pb at T = 650 kelvins, density 0.0309 angstroms^{-3} by means of 216-particle ab initio molecular dynamics simulations based on a real-space implementation of pseudopotentials constructed within density-functional theory. The predicted results and available experimental data are very in good agreement, which confirms the adequacy of this technique to achieve a reliable description of the behavior of liquid metals, including their dynamic properties. Although some of the computed properties of liquid Pb are similar to those of simple liquid metals, others differ markedly. Our results show that an appropriate description of liquid Pb requires the inclusion of relativistic effects in the determination of the pseudopotentials of Pb.

  18. Study of superconducting state parameters of alkali alkali binary alloys by a pseudopotential

    NASA Astrophysics Data System (ADS)

    Vora, Aditya M.

    2006-12-01

    A detailed study of the superconducting state parameters (SSP) viz. electron-phonon coupling strength λ, Coulomb pseudopotential μ∗, transition temperature TC, isotope effect exponent α and effective interaction strength N OV of ten alkali-alkali binary alloys i.e. Li 1- xNa x, Li 1- xK x, Li 1- xRb x, Li 1- xCs x, Na 1- xK x, Na 1- xRb x, Na 1- xCs x, K 1- xRb x, K 1- xCs x and Rb 1- xCs x are made within the framework of the model potential formalism and employing the pseudo-alloy-atom (PAA) model for the first time. We use the Ashcroft’s empty core (EMC) model potential for evaluating the superconducting properties of alkali alloys. Five different forms of local field correction functions viz. Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used to incorporate the exchange and correlation effects. A considerable influence of various exchange and correlation functions on λ and μ∗ is found from the present study. Reasonable agreement with the theoretical values of the SSP of pure components is found (corresponding to the concentration x = 0 or 1). It is also concluded that nature of the SSP strongly depends on the value of the atomic volume Ω0 of alkali-alkali binary alloys.

  19. Theoretical study of superconducting state parameters of binary metallic glasses by a pseudopotential method

    NASA Astrophysics Data System (ADS)

    Vora, Aditya M.

    2009-03-01

    The theoretical investigations of the superconducting state parameters (SSP) viz. electron-phonon coupling strength λ, Coulomb pseudopotential μ∗, transition temperature T C, isotope effect exponent α and effective interaction strength N0V of binary metallic glasses have been reported using Ashcroft’s empty core (EMC) model potential for the first time. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used in the present investigation to study the screening influence on the aforesaid properties. It is observed that λ and T C are quite sensitive to the selection of the local field correction functions in comparisons with μ∗, α and N0V. The T C obtained from H-local field correction function is found in qualitative agreement with available experimental data and show linear nature with the concentration ( C). A linear T C equation is proposed by fitting the present outcomes for H-local field correction function, which is in conformity with other results for the experimental data. Also, the present results are found in qualitative agreement with other such earlier reported data, which confirms the superconducting phase in the metallic glasses.

  20. Pseudopotential calculations and photothermal lensing measurements of two-photon absorption in solids

    SciTech Connect

    White, W.T. III

    1985-11-04

    We have studied two-photon absorption in solids theoretically and experimentally. We have shown that it is possible to use accurate band structure techniques to compute two-photon absorption spectra within 15% of measured values in a wide band-gap material, ZnS. The empirical pseudopotential technique that we used is significantly more accurate than previous models of two-photon absorption in zinc blende materials, including present tunneling theories (which are essentially parabolic-band results in disguise) and the nonparabolic-band formalism of Pidgeon et al. and Weiler. The agreement between our predictions and previous measurements allowed us to use ZnS as a reference material in order to validate a technique for measuring two-photon absorption that was previously untried in solids, pulsed dual-beam thermal lensing. With the validated technique, we examined nonlinear absorption in one other crystal (rutile) and in several glasses, including silicates, borosilicates, and one phosphate glass. Initially, we believed that the absorption edges of all the materials were comparable; however, subsequent evidence suggested that the effective band-gap energies of the glasses were above the energy of two photons in our measurement. Therefore, we attribute the nonlinear absorption that we observed in glasses to impurities or defects. The measured nonlinear absorption coefficients were of the order of a few cm/TW in the glasses and of the order of 10 cm/GW in the crystals, four orders of magnitude higher than in glasses. 292 refs.

  1. The temperature-dependent electrical transport properties of liquid Sn using pseudopotential theory

    NASA Astrophysics Data System (ADS)

    Patel, A. B.; Bhatt, N. K.; Thakore, B. Y.; Vyas, P. R.; Jani, A. R.

    2014-08-01

    We present the calculations of electrical resistivity, thermo-electric power and thermal conductivity based on the self-consistent approximation. The pseudopotential due to Hasegawa et al. [J. Non-Cryst. Solids 117/118, 300 (1990)] for full electron-ion interaction, which is valid for all electrons and contains the repulsive delta function to achieve the necessary s-pseudisation, was used in the calculation. Temperature dependence of structure factor is achieved through temperature-dependent potential parameter in the pair-potential. The outcome of the present study is discussed in the light of other such results and with predictions of Wiedemann and Franz law up to moderately high temperature. Specially, high-temperature resistivity data necessitates the careful investigation of electron energy dispersion close to the Fermi level and possible metal to non-metal transition while going from dense-fluid to low density-fluid state. In the absence of experimental data at high temperature, these findings may serve as future guideline.

  2. Contact angle adjustment in equation-of-state-based pseudopotential model

    NASA Astrophysics Data System (ADS)

    Hu, Anjie; Li, Longjian; Uddin, Rizwan; Liu, Dong

    2016-05-01

    The single component pseudopotential lattice Boltzmann model has been widely applied in multiphase simulation due to its simplicity and stability. In many studies, it has been claimed that this model can be stable for density ratios larger than 1000. However, the application of the model is still limited to small density ratios when the contact angle is considered. The reason is that the original contact angle adjustment method influences the stability of the model. Moreover, simulation results in the present work show that, by applying the original contact angle adjustment method, the density distribution near the wall is artificially changed, and the contact angle is dependent on the surface tension. Hence, it is very inconvenient to apply this method with a fixed contact angle, and the accuracy of the model cannot be guaranteed. To solve these problems, a contact angle adjustment method based on the geometry analysis is proposed and numerically compared with the original method. Simulation results show that, with our contact angle adjustment method, the stability of the model is highly improved when the density ratio is relatively large, and it is independent of the surface tension.

  3. Scalable real space pseudopotential density functional codes for materials in the exascale regime

    NASA Astrophysics Data System (ADS)

    Lena, Charles; Chelikowsky, James; Schofield, Grady; Biller, Ariel; Kronik, Leeor; Saad, Yousef; Deslippe, Jack

    Real-space pseudopotential density functional theory has proven to be an efficient method for computing the properties of matter in many different states and geometries, including liquids, wires, slabs, and clusters with and without spin polarization. Fully self-consistent solutions using this approach have been routinely obtained for systems with thousands of atoms. Yet, there are many systems of notable larger sizes where quantum mechanical accuracy is desired, but scalability proves to be a hindrance. Such systems include large biological molecules, complex nanostructures, or mismatched interfaces. We will present an overview of our new massively parallel algorithms, which offer improved scalability in preparation for exascale supercomputing. We will illustrate these algorithms by considering the electronic structure of a Si nanocrystal exceeding 104 atoms. Support provided by the SciDAC program, Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences. Grant Numbers DE-SC0008877 (Austin) and DE-FG02-12ER4 (Berkeley).

  4. GENERAL Pseudopotentials, Lax Pairs and Bäcklund Transformations for Generalized Fifth-Order KdV Equation

    NASA Astrophysics Data System (ADS)

    Yang, Yun-Qing; Chen, Yong

    2011-01-01

    Based on the method developed by Nucci, the pseudopotentials, Lax pairs and the singularity manifold equations of the generalized fifth-order KdV equation are derived. By choosing different coefficient, the corresponding results and the Bäcklund transformations can be obtained on three conditioners which include Caudrey—Dodd—Gibbon—Sawada—Kotera equation, the Lax equation and the Kaup-kupershmidt equation.

  5. Pseudopotential calculations for elastic scattering of slow electrons (0--20 eV) from noble gases. II. Krypton

    SciTech Connect

    Plenkiewicz, B.; Plenkiewicz, P.; Houee-Levin, C.; Jay-Gerin, J.

    1988-12-15

    The pseudopotential calculations of Plenkiewicz et al. on electrons colliding with argon are extended to consider the elastic electron-krypton scattering system. Phase shifts, differential, total, and momentum-transfer cross sections are obtained for incident electron energies in the range 0--20 eV. Our results are found to be in very good agreement with available experimental data and other theoretical results.

  6. The ionic structure of liquid sodium obtained by numerical simulation from 'first principles' and ab initio 'norm-conserving' pseudopotentials

    NASA Astrophysics Data System (ADS)

    Harchaoui, N.; Hellal, S.; Grosdidier, B.; Gasser, J. G.

    2008-02-01

    The physical properties of disordered matter depend on the 'atomic structure' i.e. the arrangement of the atoms. This arrangement is described by the structure factor S (q) in reciprocal space and by the pair correlation function g(r) in real space. The structure factor is obtained experimentally while the numerical simulation enables us to obtain the pair correlation function. Liquid sodium is one of the elements the most studied and one can wonder about new scientific contribution appropriateness. The majority of theoretical calculations are compared with the experiment of Waseda. However two other posterior measurements have been published and give different results, in particular with regard to the height of the first peak of the structure factor. Three models of pseudopotential are considered to describe the electron-ion interaction. The first is a local pseudopotential with the alternative known as 'individual' of the model suggested by Fiolhais et al. The second model considered is that of Bachelet et al. This one, ab-initio and 'norm conserving', is non local. The last model is that proposed by Shaw known as 'first principles' and 'energy dependent'. Various static dielectric functions characteristic of the effects of exchange and correlation have been used and developed by Hellal et al. We calculated the form factors (pseudopotential in reciprocal space) and deduce the normalized energy-wave-number characteristic FN (q), the interatomic pair potential Veff (r), then the pair correlation function g(r) by molecular dynamics. The structure factor S(q) is obtained by Fourier transform and is compared with the experiment. Our calculations with the Bachelet and Shaw pseudopotentials are close to the last experiments of Greenfield et al. and of Huijben et al. Our results are discussed.

  7. GaAs quantum structures: Comparison between direct pseudopotential and single-band truncated-crystal calculations

    NASA Astrophysics Data System (ADS)

    Franceschetti, Alberto; Zunger, Alex

    1996-04-01

    A single-band approach for semiconductor clusters which accounts for the nonparabolicity of the energy bands was recently used by Rama Krishna and Friesner [M.V. Rama Krishna and R.A. Friesner, Phys. Rev. Lett. 67, 629 (1991)]. We compare the results of this method (denoted here as single-band truncated-crystal, or SBTC, approximation) with a direct pseudopotential band-structure calculation for free-standing hydrogen-passivated GaAs quantum films, wires, and dots. The direct pseudopotential calculation, which includes coupling between all bands, shows that isolated GaAs quantum films, wires, and dots have an indirect band gap for thicknesses below 16, 28, and at least 30 Å (8, 14, and at least 15 ML), respectively; beyond these critical dimensions the transition becomes direct. A comparison of the SBTC approximation with the direct pseudopotential calculation shows that (i) the confinement energy of the valence-band maximum is overestimated by the SBTC method, because the zero-confinement character of this state is neglected; (ii) the confinement energy of the Γ-derived conduction state (direct band gap) is slightly overestimated by the SBTC approximation, mainly because of the assumption of infinite potential barriers at the boundaries; (iii) the confinement energy of the X-derived conduction state (indirect band gap) is severely underestimated by the SBTC method; (iv) while the SBTC approximation predicts ``quantum deconfinement'' (i.e., reduction of gap as size is reduced) for the direct gap of thin GaAs quantum wires, such effect is not present in the direct pseudopotential calculation.

  8. GaAs quantum structures: Comparison between direct pseudopotential and single-band truncated-crystal calculations

    SciTech Connect

    Franceschetti, A.; Zunger, A.

    1996-04-01

    A single-band approach for semiconductor clusters which accounts for the nonparabolicity of the energy bands was recently used by Rama Krishna and Friesner [M.V. Rama Krishna and R.A. Friesner, Phys. Rev. Lett. {bold 67}, 629 (1991)]. We compare the results of this method (denoted here as single-band truncated-crystal, or SBTC, approximation) with a direct pseudopotential band-structure calculation for free-standing hydrogen-passivated GaAs quantum films, wires, and dots. The direct pseudopotential calculation, which includes coupling between all bands, shows that isolated GaAs quantum films, wires, and dots have an indirect band gap for thicknesses below 16, 28, and at least 30 A (8, 14, and at least 15 ML), respectively; beyond these critical dimensions the transition becomes direct. A comparison of the SBTC approximation with the direct pseudopotential calculation shows that (i) the confinement energy of the valence-band maximum is overestimated by the SBTC method, because the zero-confinement character of this state is neglected; (ii) the confinement energy of the {Gamma}-derived conduction state (direct band gap) is slightly overestimated by the SBTC approximation, mainly because of the assumption of infinite potential barriers at the boundaries; (iii) the confinement energy of the {ital X}-derived conduction state (indirect band gap) is severely underestimated by the SBTC method; (iv) while the SBTC approximation predicts {open_quote}{open_quote}quantum deconfinement{close_quote}{close_quote} (i.e., {ital reduction} of gap as size is reduced) for the direct gap of thin GaAs quantum wires, such effect is not present in the direct pseudopotential calculation. {copyright} {ital 1996 American Institute of Physics.}

  9. Hidden variables and nonlocality in quantum mechanics

    NASA Astrophysics Data System (ADS)

    Hemmick, Douglas Lloyd

    1997-05-01

    Most physicists hold a skeptical attitude toward a 'hidden variables' interpretation of quantum theory, despite David Bohm's successful construction of such a theory and John S. Bell's strong arguments in favor of the idea. The first reason for doubt concerns certain mathematical theorems (von Neumann's, Gleason's, Kochen and Specker's, and Bell's) which can be applied to the hidden variables issue. These theorems are often credited with proving that hidden variables are indeed 'impossible', in the sense that they cannot replicate the predictions of quantum mechanics. Many who do not draw such a strong conclusion nevertheless accept that hidden variables have been shown to exhibit prohibitively complicated features. The second concern is that the most sophisticated example of a hidden variables theory-that of David Bohm-exhibits non-locality, i.e., consequences of events at one place can propagate to other places instantaneously. However, neither the mathematical theorems in question nor the attribute of nonlocality detract from the importance of a hidden variables interpretation of quantum theory. Nonlocality is present in quantum mechanics itself, and is a required characteristic of any theory that agrees with the quantum mechanical predictions. We first discuss the earliest analysis of hidden variables-that of von Neumann's theorem-and review John S. Bell's refutation of von Neumann's 'impossibility proof'. We recall and elaborate on Bell's arguments regarding the theorems of Gleason, and Kochen and Specker. According to Bell, these latter theorems do not imply that hidden variables interpretations are untenable, but instead that such theories must exhibit contextuality, i.e., they must allow for the dependence of measurement results on the characteristics of both measured system and measuring apparatus. We demonstrate a new way to understand the implications of both Gleason's theorem and Kochen and Specker's theorem by noting that they prove a result we call

  10. Strained band edge characteristics from hybrid density functional theory and empirical pseudopotentials: GaAs, GaSb, InAs and InSb

    NASA Astrophysics Data System (ADS)

    Çakan, Aslı; Sevik, Cem; Bulutay, Ceyhun

    2016-03-01

    The properties of a semiconductor are drastically modified when the crystal point group symmetry is broken under an arbitrary strain. We investigate the family of semiconductors consisting of GaAs, GaSb, InAs and InSb, considering their electronic band structure and deformation potentials subject to various strains based on hybrid density functional theory. Guided by these first-principles results, we develop strain-compliant local pseudopotentials for use in the empirical pseudopotential method (EPM). We demonstrate that the newly proposed empirical pseudopotentials perform well close to band edges and under anisotropic crystal deformations. Using the EPM, we explore the heavy hole-light hole mixing characteristics under different stress directions, which may be useful in manipulating their transport properties and optical selection rules. The very low 5 Ry cutoff targeted in the generated pseudopotentials paves the way for large-scale EPM-based electronic structure computations involving these lattice mismatched constituents.

  11. Beyond hydrostatic strain in empirical pseudopotentials for the electronic structure of InGaAs quantum dots

    NASA Astrophysics Data System (ADS)

    Bulutay, Ceyhun; Cakan, Asli

    2015-03-01

    Self-assembled quantum dots (SAQDs) are among the prime candidates for realizing semiconductor qubits. Even though much progress has been achieved toward understanding their electronic structure, more efforts are needed to reach the desired quantitative level for a precise control of the carrier and nuclear spin degrees of freedom. In this respect, the empirical pseudopotential method has been highly successful for structures involving more than hundred thousand atoms. However, due to lack of self-consistency, their use in strained environments, as in SAQDS, requires vital improvement. The main contribution of this work is to develop empirical pseudopotentials valid for inhomogeneous strain environments caused by cation alloying in InGaAs SAQDs. In our presentation, we first validate our approach with the ab initio density functional theory results based on Projector Augmented-Wave technique. This is followed by a comparison of the electronic structure results with and without strain-dependent pseudopotentials for InGaAs SAQDs having an alloy composition of 20-30% indium, which is typically the case in the current samples. Supported by TUBITAK with the Project No. 112T178.

  12. Classification of scalar and dyadic nonlocal optical response models.

    PubMed

    Wubs, M

    2015-11-30

    Nonlocal optical response is one of the emerging effects on the nanoscale for particles made of metals or doped semiconductors. Here we classify and compare both scalar and tensorial nonlocal response models. In the latter case the nonlocality can stem from either the longitudinal response, the transverse response, or both. In phenomenological scalar models the nonlocal response is described as a smearing out of the commonly assumed infinitely localized response, as characterized by a distribution with a finite width. Here we calculate explicitly whether and how tensorial models, such as the hydrodynamic Drude model and generalized nonlocal optical response theory, follow this phenomenological description. We find considerable differences, for example that nonlocal response functions, in contrast to simple distributions, assume negative and complex values. Moreover, nonlocal response regularizes some but not all diverging optical near fields. We identify the scalar model that comes closest to the hydrodynamic model. Interestingly, for the hydrodynamic Drude model we find that actually only one third (1/3) of the free-electron response is smeared out nonlocally. In that sense, nonlocal response is stronger for transverse and scalar nonlocal response models, where the smeared-out fractions are 2/3 and 3/3, respectively. The latter two models seem to predict novel plasmonic resonances also below the plasma frequency, in contrast to the hydrodynamic model that predicts standing pressure waves only above the plasma frequency. PMID:26698757

  13. Molecular decay rate near nonlocal plasmonic particles.

    PubMed

    Girard, Christian; Cuche, Aurélien; Dujardin, Erik; Arbouet, Arnaud; Mlayah, Adnen

    2015-05-01

    When the size of metal nanoparticles is smaller than typically 10 nm, their optical response becomes sensitive to both spatial dispersion and quantum size effects associated with the confinement of the conduction electrons inside the particle. In this Letter, we propose a nonlocal scheme to compute molecular decay rates near spherical nanoparticles which includes the electron-electron interactions through a simple model of electronic polarizabilities. The plasmonic particle is schematized by a dynamic dipolar polarizability α(NL)(ω), and the quantum system is characterized by a two-level system. In this scheme, the light matter interaction is described in terms of classical field susceptibilities. This theoretical framework could be extended to address the influence of nonlocality on the dynamics of quantum systems placed in the vicinity of nano-objects of arbitrary morphologies. PMID:25927799

  14. Nonlocal polarization interferometer for entanglement detection

    SciTech Connect

    Williams, Brian P.; Humble, Travis S.; Grice, Warren P.

    2014-10-30

    We report a nonlocal interferometer capable of detecting entanglement and identifying Bell states statistically. This is possible due to the interferometer's unique correlation dependence on the antidiagonal elements of the density matrix, which have distinct bounds for separable states and unique values for the four Bell states. The interferometer consists of two spatially separated balanced Mach-Zehnder or Sagnac interferometers that share a polarization-entangled source. Correlations between these interferometers exhibit nonlocal interference, while single-photon interference is suppressed. This interferometer also allows for a unique version of the Clauser-Horne-Shimony-Holt Bell test where the local reality is the photon polarization. In conclusion, we present the relevant theory and experimental results.

  15. Nonlocal polarization interferometer for entanglement detection

    NASA Astrophysics Data System (ADS)

    Williams, Brian P.; Humble, Travis S.; Grice, Warren P.

    2014-10-01

    We report a nonlocal interferometer capable of detecting entanglement and identifying Bell states statistically. This is possible due to the interferometer's unique correlation dependence on the antidiagonal elements of the density matrix, which have distinct bounds for separable states and unique values for the four Bell states. The interferometer consists of two spatially separated balanced Mach-Zehnder or Sagnac interferometers that share a polarization-entangled source. Correlations between these interferometers exhibit nonlocal interference, while single-photon interference is suppressed. This interferometer also allows for a unique version of the Clauser-Horne-Shimony-Holt-Bell test where the local reality is the photon polarization. We present the relevant theory and experimental results.

  16. Nonlocality of orthogonal product basis quantum states

    NASA Astrophysics Data System (ADS)

    Zhang, Zhi-Chao; Gao, Fei; Tian, Guo-Jing; Cao, Tian-Qing; Wen, Qiao-Yan

    2014-08-01

    In this paper, we mainly study the local indistinguishability of mutually orthogonal product basis quantum states in the high-dimensional quantum systems. In the Hilbert space of 3⊗3, Walgate and Hardy [Phys. Rev. Lett. 89, 147901 (2002), 10.1103/PhysRevLett.89.147901] presented a very simple proof for nonlocality of nine orthogonal product basis quantum states which are given by Bennett et al. [Phys. Rev. A 59, 1070 (1999), 10.1103/PhysRevA.59.1070]. In the quantum system of d⊗d, where d is odd, we construct d2 orthogonal product basis quantum states and prove these states are locally indistinguishable. Then we are able to construct some locally indistinguishable product basis quantum states in the multipartite systems. All these results reveal the phenomenon of "nonlocality without entanglement."

  17. Sampling Quantum Nonlocal Correlations with High Probability

    NASA Astrophysics Data System (ADS)

    González-Guillén, C. E.; Jiménez, C. H.; Palazuelos, C.; Villanueva, I.

    2016-05-01

    It is well known that quantum correlations for bipartite dichotomic measurements are those of the form {γ=(< u_i,v_jrangle)_{i,j=1}^n}, where the vectors u i and v j are in the unit ball of a real Hilbert space. In this work we study the probability of the nonlocal nature of these correlations as a function of {α=m/n}, where the previous vectors are sampled according to the Haar measure in the unit sphere of {R^m}. In particular, we prove the existence of an {α_0 > 0} such that if {α≤ α_0}, {γ} is nonlocal with probability tending to 1 as {n→ ∞}, while for {α > 2}, {γ} is local with probability tending to 1 as {n→ ∞}.

  18. Absolute nonlocality via distributed computing without communication

    NASA Astrophysics Data System (ADS)

    Czekaj, Ł.; Pawłowski, M.; Vértesi, T.; Grudka, A.; Horodecki, M.; Horodecki, R.

    2015-09-01

    Understanding the role that quantum entanglement plays as a resource in various information processing tasks is one of the crucial goals of quantum information theory. Here we propose an alternative perspective for studying quantum entanglement: distributed computation of functions without communication between nodes. To formalize this approach, we propose identity games. Surprisingly, despite no signaling, we obtain that nonlocal quantum strategies beat classical ones in terms of winning probability for identity games originating from certain bipartite and multipartite functions. Moreover we show that, for a majority of functions, access to general nonsignaling resources boosts success probability two times in comparison to classical ones for a number of large enough outputs. Because there are no constraints on the inputs and no processing of the outputs in the identity games, they detect very strong types of correlations: absolute nonlocality.

  19. Nonlocal polarization interferometer for entanglement detection

    DOE PAGESBeta

    Williams, Brian P.; Humble, Travis S.; Grice, Warren P.

    2014-10-30

    We report a nonlocal interferometer capable of detecting entanglement and identifying Bell states statistically. This is possible due to the interferometer's unique correlation dependence on the antidiagonal elements of the density matrix, which have distinct bounds for separable states and unique values for the four Bell states. The interferometer consists of two spatially separated balanced Mach-Zehnder or Sagnac interferometers that share a polarization-entangled source. Correlations between these interferometers exhibit nonlocal interference, while single-photon interference is suppressed. This interferometer also allows for a unique version of the Clauser-Horne-Shimony-Holt Bell test where the local reality is the photon polarization. In conclusion, wemore » present the relevant theory and experimental results.« less

  20. Nonlocal soliton scattering in random potentials

    NASA Astrophysics Data System (ADS)

    Piccardi, Armando; Residori, Stefania; Assanto, Gaetano

    2016-07-01

    We experimentally investigate the transport behaviour of nonlocal spatial optical solitons when launched in and interacting with propagation-invariant random potentials. The solitons are generated in nematic liquid crystals; the randomness is created by suitably engineered illumination of planar voltage-biased cells equipped with a photosensitive wall. We find that the fluctuations follow a super-diffusive trend, with the mean square displacement lowering for decreasing spatial correlation of the noise.

  1. EPR paradox, quantum nonlocality and physical reality

    NASA Astrophysics Data System (ADS)

    Kupczynski, M.

    2016-03-01

    Eighty years ago Einstein, Podolsky and Rosen demonstrated that instantaneous reduction of wave function, believed to describe completely a pair of entangled physical systems, led to EPR paradox. The paradox disappears in statistical interpretation of quantum mechanics (QM) according to which a wave function describes only an ensemble of identically prepared physical systems. QM predicts strong correlations between outcomes of measurements performed on different members of EPR pairs in far-away locations. Searching for an intuitive explanation of these correlations John Bell analysed so called local realistic hidden variable models and proved that correlations consistent with these models satisfy Bell inequalities which are violated by some predictions of QM and by experimental data. Several different local models were constructed and inequalities proven. Some eminent physicists concluded that Nature is definitely nonlocal and that it is acting according to a law of nonlocal randomness. According to these law perfectly random, but strongly correlated events, can be produced at the same time in far away locations and a local and causal explanation of their occurrence cannot be given. We strongly disagree with this conclusion and we prove the contrary by analysing in detail some influential finite sample proofs of Bell and CHSH inequalities and so called Quantum Randi Challenges. We also show how one can win so called Bell's game without violating locality of Nature. Nonlocal randomness is inconsistent with local quantum field theory, with standard model in elementary particle physics and with causal laws and adaptive dynamics prevailing in the surrounding us world. The experimental violation of Bell-type inequalities does not prove the nonlocality of Nature but it only confirms a contextual character of quantum observables and gives a strong argument against counterfactual definiteness and against a point of view according to which experimental outcomes are produced

  2. Nonlocal dynamics of p-adic strings

    NASA Astrophysics Data System (ADS)

    Dragovich, B. G.

    2010-09-01

    We consider the construction of Lagrangians that might be suitable for describing the entire p-adic sector of an adelic open scalar string. These Lagrangians are constructed using the Lagrangian for p-adic strings with an arbitrary prime number p. They contain space-time nonlocality because of the d’Alembertian in the argument of the Riemann zeta function. We present a brief review and some new results.

  3. Nonlocality of cluster states of qubits

    SciTech Connect

    Scarani, Valerio; Acin, Antonio; Schenck, Emmanuel; Aspelmeyer, Markus

    2005-04-01

    We investigate cluster states of qubits with respect to their nonlocal properties. We demonstrate that a Greenberger-Horne-Zeilinger (GHZ) argument holds for any cluster state: more precisely, it holds for any partial, thence mixed, state of a small number of connected qubits (five, in the case of one-dimensional lattices). In addition, we derive a Bell inequality that is maximally violated by the four-qubit cluster state and is not violated by the four-qubit GHZ state.

  4. Switching non-local vector median filter

    NASA Astrophysics Data System (ADS)

    Matsuoka, Jyohei; Koga, Takanori; Suetake, Noriaki; Uchino, Eiji

    2016-04-01

    This paper describes a novel image filtering method that removes random-valued impulse noise superimposed on a natural color image. In impulse noise removal, it is essential to employ a switching-type filtering method, as used in the well-known switching median filter, to preserve the detail of an original image with good quality. In color image filtering, it is generally preferable to deal with the red (R), green (G), and blue (B) components of each pixel of a color image as elements of a vectorized signal, as in the well-known vector median filter, rather than as component-wise signals to prevent a color shift after filtering. By taking these fundamentals into consideration, we propose a switching-type vector median filter with non-local processing that mainly consists of a noise detector and a noise removal filter. Concretely, we propose a noise detector that proactively detects noise-corrupted pixels by focusing attention on the isolation tendencies of pixels of interest not in an input image but in difference images between RGB components. Furthermore, as the noise removal filter, we propose an extended version of the non-local median filter, we proposed previously for grayscale image processing, named the non-local vector median filter, which is designed for color image processing. The proposed method realizes a superior balance between the preservation of detail and impulse noise removal by proactive noise detection and non-local switching vector median filtering, respectively. The effectiveness and validity of the proposed method are verified in a series of experiments using natural color images.

  5. Kummer solitons in strongly nonlocal nonlinear media

    NASA Astrophysics Data System (ADS)

    Zhong, Wei-Ping; Belić, Milivoj

    2009-01-01

    We solve the three-dimensional (3D) time-dependent strongly nonlocal nonlinear Schrödinger equation (NNSE) in spherical coordinates, with the help of Kummer's functions. We obtain analytical solitary solutions, which we term the Kummer solitons. We compare analytical solutions with the numerical solutions of NNSE. We discuss higher-order Kummer spatial solitons, which can exist in various forms, such as the 3D vortex solitons and the multipole solitons.

  6. Delayed-choice Measurement and Temporal Nonlocality

    NASA Astrophysics Data System (ADS)

    Kim, Ilki; Mahler, Günter

    2001-02-01

    We study for a composite quantum system with a quantum Turing architecture the temporal non-locality of quantum mechanics by using the temporal Bell inequality, which will be derived for a discretized network dynamics by identifying the subsystem indices with (discrete) parameter time. However, the direct "observation" of the quantum system will lead to no violation of the temporal Bell inequality and to consistent histories of any subsystem. Its violation can be demonstrated, though, for a delayedchoice measurement

  7. Study of superconducting state parameters of ternary metallic glasses through pseudopotential approach

    NASA Astrophysics Data System (ADS)

    Vora, Aditya M.

    2008-04-01

    A theoretical investigation on the screening dependence of the superconducting state parameters (SSPs) viz. the electron-phonon coupling strength λ, the Coulomb pseudopotential μ*, the transition temperature TC, the isotope effect exponent α and the effective interaction strength N0V of some ternary metallic glasses such as Ti50Be34Zr10, (Mo0.6Ru0.4)78B22, (Mo0.6Ru0.4)80B20, (Mo0.4Ru0.6)80P20, (Mo0.6Ru0.4)70Si30, (Mo0.6Ru0.4)84B16, (Mo0.6Ru0.4)72Si28, (Mo0.6Ru0.4)86B14, (Mo0.6Ru0.4)76Si24, (Mo0.6Ru0.4)78Si22, (Mo0.6Ru0.4)80Si20, (Mo0.6Ru0.4)82Si18 and (Mo0.6Ru0.4)80P20 is reported for the first time using Ashcroft's empty core (EMC) model potential. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al (F) and Sarkar et al (S) are used in the present investigation to study the effect of screening on the aforesaid properties. It is observed that λ and TC are reasonably sensitive to the selection of the local field correction functions, whereas μ*, α and N0V show weak dependences on the local field correction functions. The transition temperature TC obtained from the H-local field correction function is found to be in excellent agreement with available experimental data. Also, the present results are found to be in qualitative agreement with other earlier reported data, which confirms the existence of the superconducting phase in the above ternary metallic glasses.

  8. Nonlocal modeling of granular flows down inclines.

    PubMed

    Kamrin, Ken; Henann, David L

    2015-01-01

    Flows of granular media down a rough inclined plane demonstrate a number of nonlocal phenomena. We apply the recently proposed nonlocal granular fluidity model to this geometry and find that the model captures many of these effects. Utilizing the model's dynamical form, we obtain a formula for the critical stopping height of a layer of grains on an inclined surface. Using an existing parameter calibration for glass beads, the theoretical result compares quantitatively to existing experimental data for glass beads. This provides a stringent test of the model, whose previous validations focused on driven steady-flow problems. For layers thicker than the stopping height, the theoretical flow profiles display a thickness-dependent shape whose features are in agreement with previous discrete particle simulations. We also address the issue of the Froude number of the flows, which has been shown experimentally to collapse as a function of the ratio of layer thickness to stopping height. While the collapse is not obvious, two explanations emerge leading to a revisiting of the history of inertial rheology, which the nonlocal model references for its homogeneous flow response. PMID:25376561

  9. Quantum nonlocality of multipartite orthogonal product states

    NASA Astrophysics Data System (ADS)

    Xu, Guang-Bao; Wen, Qiao-Yan; Qin, Su-Juan; Yang, Ying-Hui; Gao, Fei

    2016-03-01

    Local distinguishability of orthogonal quantum states is an area of active research in quantum information theory. However, most of the relevant results are about local distinguishability in bipartite Hilbert space and very little is known about the multipartite case. In this paper we present a generic method to construct a completable n -partite (n ≥3 ) product basis with only 2 n members, which exhibits nonlocality without entanglement with n parties, each holding a system of any finite dimension. We give an effective proof of the nonlocality of the completable multipartite product basis. In addition, we construct another incomplete multipartite product basis with a smaller number of members that cannot be distinguished by local operations and classical communication in a d1⊗d2⊗⋯⊗dn quantum system, where n ≥3 and di≥2 for i =1 ,2 ,...,n . The results can lead to a better understanding of the phenomenon of nonlocality without entanglement in any multipartite quantum system.

  10. Prediction of negative dispersion by a nonlocal poroelastic theory.

    PubMed

    Chakraborty, Abir

    2008-01-01

    The objective of this work is to show that the negative dispersion of ultrasonic waves propagating in cancellous bone can be explained by a nonlocal version of Biot's theory of poroelasticity. The nonlocal poroelastic formulation is presented in this work and the exact solutions for one- and two-dimensional systems are obtained by the method of Fourier transform. The nonlocal phase speeds for solid- and fluid-borne waves show the desired negative dispersion where the magnitude of dispersion is strongly dependent on the nonlocal parameters and porosity. Dependence of the phase speed and attenuation is studied for both porosity and frequency variation. It is shown that the nonlocal parameter can be easily estimated by comparing the theoretical dispersion rate with experimental observations. It is also shown that the modes of Lamb waves show similar negative dispersion when predicted by the nonlocal poroelastic theory. PMID:18177138

  11. Connection between Bell nonlocality and Bayesian game theory.

    PubMed

    Brunner, Nicolas; Linden, Noah

    2013-01-01

    In 1964, Bell discovered that quantum mechanics is a nonlocal theory. Three years later, in a seemingly unconnected development, Harsanyi introduced the concept of Bayesian games. Here we show that, in fact, there is a deep connection between Bell nonlocality and Bayesian games, and that the same concepts appear in both fields. This link offers interesting possibilities for Bayesian games, namely of allowing the players to receive advice in the form of nonlocal correlations, for instance using entangled quantum particles or more general no-signalling boxes. This will lead to novel joint strategies, impossible to achieve classically. We characterize games for which nonlocal resources offer a genuine advantage over classical ones. Moreover, some of these strategies represent equilibrium points, leading to the notion of quantum/no-signalling Nash equilibrium. Finally, we describe new types of question in the study of nonlocality, namely the consideration of nonlocal advantage given a set of Bell expressions. PMID:23820748

  12. Imaging nonlocal transport in graphene using scanning gate microscopy

    NASA Astrophysics Data System (ADS)

    Connolly, Malcolm; Dou, Ziwei; Morikawa, Sei; Wang, Shu-Wei; Smith, Charles; Watanabe, Kenji; Taniguchi, Takashi; Masubuchi, Satoru; Machida, Tomoki

    Nonlocal transport measurements are designed to detect when charge injected by a current probe induces voltages far from the classical current path. While a range of exotic forces can induce nonlocal transport of Dirac fermions in graphene such as bandstructure topology, Zeeman spin Hall, and many-body interactions, it is important to understand the role of density fluctuations around the Dirac point where nonlocality can be most pronounced. We use scanning gate microscopy to image current flow and nonlocal signals directly in high-mobility graphene encapsulated by hexagonal boron nitride. Despite being located several mean-free paths from the current injector, Hall voltage probes parallel with current path display an order of magnitude larger nonlocal signal than expected around the Dirac point. SGM images captured at different carrier density are consistent with current spreading due to percolation. Such long range charge transport should be considered when designing devices and calculating the relaxation length of nonlocal currents. Supported by EPSRC.

  13. Nonlocal transport in dual-gated bilayer graphene

    NASA Astrophysics Data System (ADS)

    Shimazaki, Yuya; Yamamoto, Michihisa; Watanabe, Kenji; Taniguchi, Takashi; Tarucha, Seigo

    2014-03-01

    We report nonlocal transport measurement of biased bilayer graphene. Dual gated bilayer graphene Hall bars sandwiched between two h-BN insulating layers were prepared using the transfer technique with PMMA thin flims. We measured both local and non-local transport at temperatures between 1.5 K and 200 K. We found enhancement of the nonlocal resistance near the charge neutrality point when we increase the perpendicular electric field. Observed nonlocal resistance at 70K is much larger than what is expected as the Ohmic contribution from van der Pauw formula with measured local resistivity. This observation indicates additional contribution to the nonlocal transport in biased bilayer graphene. We present temperature and displacement field dependence of the nonlocal resistance and discuss its origin in terms of valley Hall effect and transport through disordered edge states.

  14. Gap solitons under competing local and nonlocal nonlinearities

    SciTech Connect

    Kuo, Kuan-Hsien; Lin Yuanyao; Lee, Ray-Kuang; Malomed, Boris A.

    2011-05-15

    We analyze the existence, bifurcations, and shape transformations of one-dimensional gap solitons (GSs) in the first finite band gap induced by a periodic potential built into materials with local self-focusing and nonlocal self-defocusing nonlinearities. Originally stable on-site GS modes become unstable near the upper edge of the band gap with the introduction of the nonlocal self-defocusing nonlinearity with a small nonlocality radius. Unstable off-site GSs bifurcate into a new branch featuring single-humped, double-humped, and flat-top modes due to the competition between local and nonlocal nonlinearities. The mechanism underlying the complex bifurcation pattern and cutoff effects (termination of some bifurcation branches) is illustrated in terms of the shape transformation under the action of the varying degree of the nonlocality. The results of this work suggest a possibility of optical-signal processing by means of the competing nonlocal and local nonlinearities.

  15. Origins of Nonlocality Near the Neutrality Point in Graphene

    NASA Astrophysics Data System (ADS)

    Folk, Joshua

    Nonlocal measurements are an effective experimental tool for probing non-charge characteristics of carriers using a (charge) transport measurement. For example, nonlocal signals in a Hall bar geometry can indicate spin currents, or valley currents, or heat currents flowing through a sample without an accompanying charge current. We present an experimental study of nonlocal electrical signals near the Dirac point in graphene, with the goal of disentangling the various types of current that might give rise to nonlocality. The in-plane magnetic field dependence of the nonlocal signal confirms the role of spin in this effect, as expected from predictions of the Zeeman spin Hall effect in graphene, but our experiments show that thermo-magneto-electric effects also contribute to nonlocality, and the effect is sometimes stronger than that due to spin.

  16. Monogamy of Measurement-Induced Nonlocality Based on Relative Entropy

    NASA Astrophysics Data System (ADS)

    Luo, Yu; Xi, Zheng-Jun; Li, Yong-Ming

    2014-11-01

    In this paper, using relative entropy, we study monogamous properties of measurement-induced nonlocality based on relative entropy. Depending on different measurement sides, we provide necessary and sufficient conditions for two types of monogamy inequalities. By the concept of nonlocality monogamy score, we find a necessary condition of the vanished nonlocality monogamy score for arbitrary three-party states. In addition, two types of necessary and sufficient conditions of the vanished nonlocality monogamy scores are obtained for any pure states. As an application, we show that measurement-induced nonlocality based on relative entropy can be viewed as a “nonlocality witness” to distinguish generalized GHZ states from the generalized W states.

  17. Light steering in a strongly nonlocal nonlinear medium

    SciTech Connect

    Ouyang Shigen; Hu Wei; Guo Qi

    2007-11-15

    With a strongly nonlocal model, we present an analytical solution of the coherent interaction of two Gaussian beams with an arbitrary phase difference and arbitrary incident angles. Numerical simulations show that the analytical solution can describe the interaction of two Gaussian beams very well in the strongly nonlocal case. It is theoretically shown that one can steer lights in strongly nonlocal media by tuning the incident conditions of coherently interacting beams like the phase difference between beams and their relative amplitude.

  18. Exact solutions for a coupled nonlocal model of nanobeams

    SciTech Connect

    Marotti de Sciarra, Francesco E-mail: raffaele.barretta@unina.it; Barretta, Raffaele E-mail: raffaele.barretta@unina.it

    2014-10-06

    BERNOULLI-EULER nanobeams under concentrated forces/couples with the nonlocal constitutive behavior proposed by ERINGEN do not exhibit small-scale effects. A new model obtained by coupling the ERINGEN and gradient models is formulated in the present note. A variational treatment is developed by imposing suitable thermodynamic restrictions for nonlocal models and the ensuing differential and boundary conditions of elastic equilibrium are provided. The nonlocal elastostatic problem is solved in a closed-form for nanocantilever and clamped nanobeams.

  19. Nonlocal heat transport in a stochastic magnetic field

    SciTech Connect

    Rax, J.M.; White, R.B.

    1991-12-01

    Heat transport in a stochastic magnetic field configuration is shown to be nonlocal. Collisional transport processes, in such a disordered media, cannot always be reduced to a standard diffusion process, and the concept of a diffusion coefficient is meaningless for a wide range of typical tokamak parameters. In the nonlocal regime the relaxation of a gradient is described by an integral equation, involving a nonlocal propagator. This propagator is calculated, and the relation to previous results is elucidated. 15 refs.

  20. Gravity and large-scale nonlocal bias

    NASA Astrophysics Data System (ADS)

    Chan, Kwan Chuen; Scoccimarro, Román; Sheth, Ravi K.

    2012-04-01

    For Gaussian primordial fluctuations the relationship between galaxy and matter overdensities, bias, is most often assumed to be local at the time of observation in the large-scale limit. This hypothesis is however unstable under time evolution, we provide proofs under several (increasingly more realistic) sets of assumptions. In the simplest toy model galaxies are created locally and linearly biased at a single formation time, and subsequently move with the dark matter (no velocity bias) conserving their comoving number density (no merging). We show that, after this formation time, the bias becomes unavoidably nonlocal and nonlinear at large scales. We identify the nonlocal gravitationally induced fields in which the galaxy overdensity can be expanded, showing that they can be constructed out of the invariants of the deformation tensor (Galileons), the main signature of which is a quadrupole field in second-order perturbation theory. In addition, we show that this result persists if we include an arbitrary evolution of the comoving number density of tracers. We then include velocity bias, and show that new contributions appear; these are related to the breaking of Galilean invariance of the bias relation, a dipole field being the signature at second order. We test these predictions by studying the dependence of halo overdensities in cells of fixed dark matter density: measurements in simulations show that departures from the mean bias relation are strongly correlated with the nonlocal gravitationally induced fields identified by our formalism, suggesting that the halo distribution at the present time is indeed more closely related to the mass distribution at an earlier rather than present time. However, the nonlocality seen in the simulations is not fully captured by assuming local bias in Lagrangian space. The effects on nonlocal bias seen in the simulations are most important for the most biased halos, as expected from our predictions. Accounting for these

  1. Heuristic theory of nonlocally broken gyro-Bohm scaling

    SciTech Connect

    Waltz, R.E.; Candy, J.

    2005-07-15

    Global gyrokinetic simulations of ion temperature gradient turbulent transport with piecewise-flat profiles are given to illustrate the breaking of gyro-Bohm scaling by a nonlocal mechanism. The nonlocal drainage of the turbulence from unstable regions spreading into stable (or less unstable) regions breaks the gyro-Bohm scaling toward Bohm in unstable regions and toward super-gyro-Bohm in stable (or less unstable) regions. A heuristic model for this nonlocal process is formulated in terms of a nonlocal growth rate resulting from a locally weighted radial average of the local linear ballooning mode growth rate. A nonlocality length L measured in ion gyroradii provides the exponential scale for the local weighting. The nonlocal growth rate can be incorporated into a local gyro-Bohm-scaled transport model in place of the local growth rate. The resulting nonlocal transport model will provide some transport in stable regions. A heuristic theory of this nonlocal transport mechanism based on the partial formation of global modes in toroidal geometry is detailed. The theory argues that the nonlocality length L increases with relative gyroradius and decreases with the linear growth rate.

  2. ACCELERATED MRI USING ITERATIVE NON-LOCAL SHRINKAGE

    PubMed Central

    Mohsin, Yasir Q.; Ongie, Gregory; Jacob, Mathews

    2015-01-01

    We introduce a fast iterative non-local shrinkage algorithm to recover MRI data from undersampled Fourier measurements. This approach is enabled by the reformulation of current non-local schemes as an alternating algorithm to minimize a global criterion. The proposed algorithm alternates between a non-local shrinkage step and a quadratic subproblem. The resulting algorithm is observed to be considerably faster than current alternating non-local algorithms. We use efficient continuation strategies to minimize local minima issues. The comparisons of the proposed scheme with state-of-the-art regularization schemes show a considerable reduction in alias artifacts and preservation of edges. PMID:25570265

  3. Survey on nonlocal games and operator space theory

    NASA Astrophysics Data System (ADS)

    Palazuelos, Carlos; Vidick, Thomas

    2016-01-01

    This review article is concerned with a recently uncovered connection between operator spaces, a noncommutative extension of Banach spaces, and quantum nonlocality, a striking phenomenon which underlies many of the applications of quantum mechanics to information theory, cryptography, and algorithms. Using the framework of nonlocal games, we relate measures of the nonlocality of quantum mechanics to certain norms in the Banach and operator space categories. We survey recent results that exploit this connection to derive large violations of Bell inequalities, study the complexity of the classical and quantum values of games and their relation to Grothendieck inequalities, and quantify the nonlocality of different classes of entangled states.

  4. Circumferential nonlocal effect on the buckling and vibration of nanotubes

    NASA Astrophysics Data System (ADS)

    Wang, Cheng Yuan; Li, Xiao Hu; Luo, Ying

    2016-04-01

    The nonlocal beam theories are widely used to study the mechanics of cylindrical nanotubes (NTs). The one-dimensional models however are unable to account for the nonlocal effect in the circumferential direction, which may substantially affect the applicability of the nonlocal beam models. To address the issue this letter examines the circumferential nonlocal effect (CNE) on the buckling and vibration of the NTs. Here the CNE is characterized by the difference between the nonlocal beam model considering the axial nonlocal effect only and the nonlocal shell model with both axial and circumferential nonlocal effects. The aspect ratio and radius-dependence of the CNE are calculated for the singlewall carbon NTs selected as a typical example. The results show that the CNE is substantial for the buckling and vibration of the NTs with small radius (e.g., <1 nm) and aspect ratio (e.g., <15). It however decreases with the rising radius and the aspect ratio, and turns out to be small for relatively wide and long NTs. The nonlocal beam theories thus may overestimate the buckling load and vibration frequency for the thin and short NTs.

  5. A full-potential linearized augmented plane wave (FP-LAPW) study of atomic carbon, nitrogen, and oxygen chemisorption on the (1 0 0) surface of δ-Pu

    NASA Astrophysics Data System (ADS)

    Atta-Fynn, Raymond; Ray, Asok K.

    2007-04-01

    Fully relativistic full-potential density functional calculations with an all-electron linearized augmented plane wave plus local orbitals method have been performed to investigate the electronic and geometric structures of atomic carbon, nitrogen, and oxygen chemisorption on the (1 0 0) surface of δ-Pu. For all chemisorption processes, the center adsorption site is found to be the most preferred site with chemisorption energies of 7.964, 7.665, and 8.335 eV for the C, N, and O adatoms, respectively. The respective optimized distances of the C, N, and O adatoms from the surface were found to be 0.26, 0.35, and 0.48 Å. The work functions and the net magnet moments, respectively, increased and decreased in all cases compared with the bare δ-Pu (1 0 0) surface. In particular, the work function shift is largest for the least preferred top site and lowest for the most preferred center site. A detailed analysis of partial charges inside the atomic spheres, charge density distributions, and the local density of states have been performed to investigate the nature of the interaction between the surface Pu atoms and the adatoms.

  6. Comparison between Gaussian-type orbitals and plane wave ab initio density functional theory modeling of layer silicates: Talc [Mg3Si4O10(OH)2] as model system

    NASA Astrophysics Data System (ADS)

    Ulian, Gianfranco; Tosoni, Sergio; Valdrè, Giovanni

    2013-11-01

    The quantum chemical characterization of solid state systems is conducted with many different approaches, among which the adoption of periodic boundary conditions to deal with three-dimensional infinite condensed systems. This method, coupled to the Density Functional Theory (DFT), has been proved successful in simulating a huge variety of solids. Only in relatively recent years this ab initio quantum-mechanic approach has been used for the investigation of layer silicate structures and minerals. In the present work, a systematic comparison of different DFT functionals (GGA-PBEsol and hybrid B3LYP) and basis sets (plane waves and all-electron Gaussian-type orbitals) on the geometry, energy, and phonon properties of a model layer silicate, talc [Mg3Si4O10(OH)2], is presented. Long range dispersion is taken into account by DFT+D method. Results are in agreement with experimental data reported in literature, with minimal deviation given by the GTO/B3LYP-D* method regarding both axial lattice parameters and interaction energy and by PW/PBE-D for the unit-cell volume and angular values. All the considered methods adequately describe the experimental talc infrared spectrum.

  7. Comparison between Gaussian-type orbitals and plane wave ab initio density functional theory modeling of layer silicates: talc [Mg3Si4O10(OH)2] as model system.

    PubMed

    Ulian, Gianfranco; Tosoni, Sergio; Valdrè, Giovanni

    2013-11-28

    The quantum chemical characterization of solid state systems is conducted with many different approaches, among which the adoption of periodic boundary conditions to deal with three-dimensional infinite condensed systems. This method, coupled to the Density Functional Theory (DFT), has been proved successful in simulating a huge variety of solids. Only in relatively recent years this ab initio quantum-mechanic approach has been used for the investigation of layer silicate structures and minerals. In the present work, a systematic comparison of different DFT functionals (GGA-PBEsol and hybrid B3LYP) and basis sets (plane waves and all-electron Gaussian-type orbitals) on the geometry, energy, and phonon properties of a model layer silicate, talc [Mg3Si4O10(OH)2], is presented. Long range dispersion is taken into account by DFT+D method. Results are in agreement with experimental data reported in literature, with minimal deviation given by the GTO∕B3LYP-D* method regarding both axial lattice parameters and interaction energy and by PW/PBE-D for the unit-cell volume and angular values. All the considered methods adequately describe the experimental talc infrared spectrum. PMID:24289338

  8. Comparison between Gaussian-type orbitals and plane wave ab initio density functional theory modeling of layer silicates: Talc [Mg{sub 3}Si{sub 4}O{sub 10}(OH){sub 2}] as model system

    SciTech Connect

    Ulian, Gianfranco; Valdrè, Giovanni; Tosoni, Sergio

    2013-11-28

    The quantum chemical characterization of solid state systems is conducted with many different approaches, among which the adoption of periodic boundary conditions to deal with three-dimensional infinite condensed systems. This method, coupled to the Density Functional Theory (DFT), has been proved successful in simulating a huge variety of solids. Only in relatively recent years this ab initio quantum-mechanic approach has been used for the investigation of layer silicate structures and minerals. In the present work, a systematic comparison of different DFT functionals (GGA-PBEsol and hybrid B3LYP) and basis sets (plane waves and all-electron Gaussian-type orbitals) on the geometry, energy, and phonon properties of a model layer silicate, talc [Mg{sub 3}Si{sub 4}O{sub 10}(OH){sub 2}], is presented. Long range dispersion is taken into account by DFT+D method. Results are in agreement with experimental data reported in literature, with minimal deviation given by the GTO/B3LYP-D* method regarding both axial lattice parameters and interaction energy and by PW/PBE-D for the unit-cell volume and angular values. All the considered methods adequately describe the experimental talc infrared spectrum.

  9. Nonlocalization of Nonlocal Symmetry and Symmetry Reductions of the Burgers Equation

    NASA Astrophysics Data System (ADS)

    Jin, Yan; Jia, Man; Lou, Sen-Yue

    2012-12-01

    Symmetry reduction method is one of the best ways to find exact solutions. In this paper, we study the possibility of symmetry reductions of the well known Burgers equation including the nonlocal symmetry. The related new group invariant solutions are obtained. Especially, the interactions among solitons, Airy waves, and Kummer waves are explicitly given.

  10. Full configuration interaction pseudopotential determination of the ground-state potential energy curves of Li2 and LiH

    NASA Astrophysics Data System (ADS)

    Maniero, Angelo M.; Acioli, Paulo H.

    A full configuration interaction (CI) with a norm-conserving pseudopotential procedure to determine potential energy surfaces is proposed. Analysis of the potentiality and the possible sources of inaccuracies of the methodology is given in terms of its application to the generation of the ground-state potential energy curves of the LiH and Li2 molecules. The vibrational energy levels were obtained using the discrete variable representation. The agreement between our results and those from Rydberg-Klein-Ress-derived potentials is very good. The extension of this procedure to larger systems is straightforward.

  11. Skyrme functional from a three-body pseudopotential of second order in gradients: Formalism for central terms

    NASA Astrophysics Data System (ADS)

    Sadoudi, J.; Duguet, T.; Meyer, J.; Bender, M.

    2013-12-01

    Background: In one way or another, all modern parametrizations of the nuclear energy density functional (EDF) do not respect the exchange symmetry associated with Pauli's principle. It has been recently shown that this practice jeopardizes multireference (MR) EDF calculations by contaminating the energy with spurious self-interactions that, for example, lead to finite steps or even divergences when plotting it as a function of collective coordinates [J. Dobaczewski , Phys. Rev. CPRVCAN0556-281310.1103/PhysRevC.76.054315 76, 054315 (2007); D. Lacroix , Phys. Rev. CPRVCAN0556-281310.1103/PhysRevC.79.044318 79, 044318 (2009)]. As of today, the only viable option to bypass these pathologies is to rely on EDF kernels that enforce Pauli's principle from the outset by strictly and exactly deriving from a genuine, i.e., density-independent, Hamilton operator.Purpose: The objective is to build cutting-edge parametrizations of the EDF kernel deriving from a pseudopotential that can be safely employed in symmetry restoration and configuration mixing calculations.Methods: We wish to develop the most general Skyrme-like EDF parametrization containing linear, bilinear, and trilinear terms in the density matrices with up to two gradients, under the key constraint that it derives strictly from an effective Hamilton operator. While linear and bilinear terms are obtained from a standard one-body kinetic energy operator and a (density-independent) two-body Skyrme pseudopotential, the most general three-body Skyrme-like pseudopotential containing up to two gradient operators is constructed to generate the trilinear part. The present study is limited to central terms. Spin orbit and tensor will be addressed in a forthcoming paper.Results: The most general central Skyrme-type zero-range three-body interaction is built up to second order in derivatives. The complete trilinear EDF, including time-odd and T=1 pairing parts, is derived along with the corresponding normal and anomalous

  12. Nonlocal Transport in the Reversed Field Pinch

    SciTech Connect

    Spizzo, G.; White, R. B.; Cappello, S.; Marrelli, L.

    2009-09-21

    Several heuristic models for nonlocal transport in plasmas have been developed, but they have had a limited possibility of detailed comparision with experimental data. Nonlocal aspects introduced by the existence of a known spectrum of relatively stable saturated tearing modes in a low current reversed field pinch offers a unique possibility for such a study. A numerical modelling of the magnetic structure and associated particle transport is carried out for the reversed-field pinch experiment at the Consorzio RFX, Padova, Italy. A reproduction of the tearing mode spectrum with a guiding center code1 reliably reproduces the observed soft X-ray tomography. Following particle trajectories in the stochastic magnetic field shows the transport across the unperturbed flux surfaces to be due to a spectrum of Levy flights, with the details of the spectrum position dependent. The resulting transport is subdiffusive, and cannot be described by Rechester-Rosenbluth diffusion, which depends on a random phase approximation. If one attempts to fit the local transport phenomenologically, the subdiffusion can be fit with a combination of diffusion and inward pinch2. It is found that whereas passing particles explore the stochastic field and hence participate in Levy flights, the trapped particles experience normal neoclassical diffusion. A two fluid nonlocal Montroll equation is used to model this transport, with a Levy flight defined as the motion of an ion during the period that the pitch has one sign. The necessary input to the Montroll equation consists of a time distribution for the Levy flights, given by the pitch angle scattering operator, and a distribution of the flight distances, determined numerically using a guiding center code. Results are compared to experiment. The relation of this formulation to fractional kinetics is also described.

  13. Fundamental monogamy relation between contextuality and nonlocality.

    PubMed

    Kurzyński, Paweł; Cabello, Adán; Kaszlikowski, Dagomir

    2014-03-14

    We show that the no-disturbance principle imposes a tradeoff between locally contextual correlations violating the Klyachko-Can-Biniciogˇlu-Shumovski inequality and spatially separated correlations violating the Clauser-Horne-Shimony-Holt inequality. The violation of one inequality forbids the violation of the other. We also obtain the corresponding monogamy relation imposed by quantum theory for a qutrit-qubit system. Our results show the existence of fundamental monogamy relations between contextuality and nonlocality that suggest that entanglement might be a particular form of a more fundamental resource. PMID:24679270

  14. Relativistic three-partite non-locality

    NASA Astrophysics Data System (ADS)

    Moradpour, Hooman; Montakhab, Afshin

    2016-05-01

    Bell-like inequalities have been used in order to distinguish non-local quantum pure states by various authors. The behavior of such inequalities under Lorentz transformation (LT) has been a source of debate and controversies in the past. In this paper, we consider the two most commonly studied three-particle pure states, that of W and Greenberger-Horne-Zeilinger (GHZ) states which exhibit distinctly different types of entanglement. We discuss the various types of three-particle inequalities used in previous studies and point to their corresponding shortcomings and strengths. Our main result is that if one uses Czachor’s relativistic spin operator and Svetlichny’s inequality as the main measure of non-locality and uses the same angles in the rest frame (S) as well as the moving frame (S‧), then maximally violated inequality in S will decrease in the moving frame, and will eventually lead to lack of non-locality (i.e. satisfaction of inequality) in the v→c limit. This is shown for both the GHZ and W states and in two different configurations which are commonly studied (Cases 1 and 2). Our results are in line with a more familiar case of two particle case. We also show that the satisfaction of Svetlichny’s inequality in the v→c limit is independent of initial particles’ velocity. Our study shows that whenever we use Czachor’s relativistic spin operator, results draws a clear picture of three-particle non-locality making its general properties consistent with previous studies on two-particle systems regardless of the W state or the GHZ state is involved. Throughout the paper, we also address the results of using Pauli’s operator in investigating the behavior of |Sv| under LT for both of the GHZ and W states and two cases (Cases 1 and 2). Our investigation shows that the violation of |Sv| in moving frame depends on the particle’s energy in the lab frame, which is in agreement with some previous works on two and three-particle systems. Our work may

  15. Entanglement swapping for generalized nonlocal correlations

    SciTech Connect

    Short, A. J.; Popescu, S.; Gisin, N.

    2006-01-15

    We consider an analog of entanglement-swapping for a set of black boxes with the most general nonlocal correlations consistent with relativity (including correlations which are stronger than any attainable in quantum theory). In an attempt to incorporate this phenomenon, we consider expanding the space of objects to include not only correlated boxes, but 'couplers', which are an analog for boxes of measurements with entangled eigenstates in quantum theory. Surprisingly, we find that no couplers exist for two binary-input-binary-output boxes, and hence that there is no analog of entanglement swapping for such boxes.

  16. Fundamental Monogamy Relation between Contextuality and Nonlocality

    NASA Astrophysics Data System (ADS)

    Kurzyński, Paweł; Cabello, Adán; Kaszlikowski, Dagomir

    2014-03-01

    We show that the no-disturbance principle imposes a tradeoff between locally contextual correlations violating the Klyachko-Can-Binicioǧlu-Shumovski inequality and spatially separated correlations violating the Clauser-Horne-Shimony-Holt inequality. The violation of one inequality forbids the violation of the other. We also obtain the corresponding monogamy relation imposed by quantum theory for a qutrit-qubit system. Our results show the existence of fundamental monogamy relations between contextuality and nonlocality that suggest that entanglement might be a particular form of a more fundamental resource.

  17. Lattice Gas Model with Nonlocal Interactions

    NASA Astrophysics Data System (ADS)

    Das, Shankar P.

    We analyze the nature of the hydrodynamic modes in a Lattice Gas Automata (LGA) model defined on a hexagonal lattice and having nonlocal interactions of attractive and repulsive type simultaneously. The model is similar in spirit to the liquid gas model of Appert and Zaleski [Phys. Rev. Lett. 64, 1 (1990)]. The phase diagram for the model is computed using the kinetic pressure. The dynamics is studied with a mean field type approach in the Boltzmann approximation ignoring effects of correlated collisions. We compute the transport coefficients and the speed of sound propagation. The presence of attractive interactions show increase in the transport coefficients at intermediate densities.

  18. Geometric reduction of dynamical nonlocality in nanoscale quantum circuits

    PubMed Central

    Strambini, E.; Makarenko, K. S.; Abulizi, G.; de Jong, M. P.; van der Wiel, W. G.

    2016-01-01

    Nonlocality is a key feature discriminating quantum and classical physics. Quantum-interference phenomena, such as Young’s double slit experiment, are one of the clearest manifestations of nonlocality, recently addressed as dynamical to specify its origin in the quantum equations of motion. It is well known that loss of dynamical nonlocality can occur due to (partial) collapse of the wavefunction due to a measurement, such as which-path detection. However, alternative mechanisms affecting dynamical nonlocality have hardly been considered, although of crucial importance in many schemes for quantum information processing. Here, we present a fundamentally different pathway of losing dynamical nonlocality, demonstrating that the detailed geometry of the detection scheme is crucial to preserve nonlocality. By means of a solid-state quantum-interference experiment we quantify this effect in a diffusive system. We show that interference is not only affected by decoherence, but also by a loss of dynamical nonlocality based on a local reduction of the number of quantum conduction channels of the interferometer. With our measurements and theoretical model we demonstrate that this mechanism is an intrinsic property of quantum dynamics. Understanding the geometrical constraints protecting nonlocality is crucial when designing quantum networks for quantum information processing. PMID:26732751

  19. Geometric reduction of dynamical nonlocality in nanoscale quantum circuits

    NASA Astrophysics Data System (ADS)

    Strambini, E.; Makarenko, K. S.; Abulizi, G.; de Jong, M. P.; van der Wiel, W. G.

    2016-01-01

    Nonlocality is a key feature discriminating quantum and classical physics. Quantum-interference phenomena, such as Young’s double slit experiment, are one of the clearest manifestations of nonlocality, recently addressed as dynamical to specify its origin in the quantum equations of motion. It is well known that loss of dynamical nonlocality can occur due to (partial) collapse of the wavefunction due to a measurement, such as which-path detection. However, alternative mechanisms affecting dynamical nonlocality have hardly been considered, although of crucial importance in many schemes for quantum information processing. Here, we present a fundamentally different pathway of losing dynamical nonlocality, demonstrating that the detailed geometry of the detection scheme is crucial to preserve nonlocality. By means of a solid-state quantum-interference experiment we quantify this effect in a diffusive system. We show that interference is not only affected by decoherence, but also by a loss of dynamical nonlocality based on a local reduction of the number of quantum conduction channels of the interferometer. With our measurements and theoretical model we demonstrate that this mechanism is an intrinsic property of quantum dynamics. Understanding the geometrical constraints protecting nonlocality is crucial when designing quantum networks for quantum information processing.

  20. Optics in a nonlinear gravitational plane wave

    NASA Astrophysics Data System (ADS)

    Harte, Abraham I.

    2015-09-01

    Gravitational waves can act like gravitational lenses, affecting the observed positions, brightnesses, and redshifts of distant objects. Exact expressions for such effects are derived here in general relativity, allowing for arbitrarily-moving sources and observers in the presence of plane-symmetric gravitational waves. At least for freely falling sources and observers, it is shown that the commonly-used predictions of linear perturbation theory can be generically overshadowed by nonlinear effects; even for very weak gravitational waves, higher-order perturbative corrections involve secularly-growing terms which cannot necessarily be neglected when considering observations of sufficiently distant sources. Even on more moderate scales where linear effects remain at least marginally dominant, nonlinear corrections are qualitatively different from their linear counterparts. There is a sense in which they can, for example, mimic the existence of a third type of gravitational wave polarization.

  1. Implementing a Nonlocal Toffoli Gate Using Partially Entangled Qubit Pairs

    NASA Astrophysics Data System (ADS)

    Chen, Li-Bing; Lu, Hong

    2011-11-01

    We investigate the local implementation of a nonlocal quantum Toffoli gate via partially entangled states. Firstly, we show how the nonlocal Toffoli gate can be implemented with unit fidelity and a certain probability by employing two partially entangled qubit pairs as quantum channels. The quantum circuit that does this proposed implementation is built entirely of local single-level and two-level gates if the target node harness a three-level qudit as a catalyser. This enables the construction of this key nonlocal quantum gate with existing technology. Then, we put forward a scheme to realize deterministic and exact implementation of this nonlocal gate via more partially entangled pairs. In this scheme, the control nodes' local positive operator valued measurements (POVMs) lies at the heart. We construct the required POVMs. The fact that the deterministic and exact implementation of a nonlocal multi-qubit gate could be realized by using partially entangled qubit pairs and comparatively fewer resources cost is notable.

  2. Nonlocal electrodynamics of Josephson vortices in superconducting circuits

    NASA Astrophysics Data System (ADS)

    Abdumalikov, A. A., Jr.; Alfimov, G. L.; Malishevskii, A. S.

    2009-02-01

    A review of the main analytical, numerical and experimental results of nonlocal Josephson electrodynamics in different types of junctions is presented. Several mechanisms of nonlocality are discussed. Linear electromagnetic waves and vortices (kinks) propagating along junctions are examined in detail. The main attention is paid to bulk junctions with internal nonlocality and to narrow junctions with geometrical nonlocality. Theoretical conceptions of Cherenkov excitation of plasma waves, discretization of kink velocities and forming of multikinks by binding of elementary vortices are considered. Experimental results for narrow junctions are surveyed. It is shown that the positions of Fiske steps and Cherenkov resonances at current-voltage characteristics which have been obtained in experiments can be properly explained by a nonlocal model that takes into account stray magnetic fields outside the junction.

  3. Hierarchy of multipartite nonlocality in the nonsignaling scenario

    NASA Astrophysics Data System (ADS)

    Wang, Xiaoxu; Zhang, Chengjie; Chen, Qing; Yu, Sixia; Yuan, Haidong; Oh, C. H.

    2016-08-01

    We propose a hierarchy of Bell-type inequalities for arbitrary n -partite systems that identifies the different degrees of nonlocality ranging from standard to genuine multipartite nonlocality. After introducing the definition of nonsignaling m locality, we show that the observed joint probabilities in any nonsignaling m -local realistic models should satisfy the (m -1 )th Bell-type inequality. When m =2 , the corresponding inequality reduces to the one shown earlier [Q. Chen et al., Phys. Rev. Lett. 112, 140404 (2014), 10.1103/PhysRevLett.112.140404] whose violation indicates genuine multipartite nonlocality, and when m =n , the corresponding inequality is just Hardy's inequality whose violation indicates standard multipartite nonlocality. Furthermore, several examples are provided to demonstrate their hierarchy of multipartite nonlocality.

  4. Origin and effect of nonlocality in a layered composite.

    SciTech Connect

    Silling, Stewart Andrew

    2014-01-01

    A simple demonstration of nonlocality in a heterogeneous material is presented. By analysis of the microscale deformation of a two-component layered medium, it is shown that nonlocal interactions necessarily appear in a homogenized model of the system. Explicit expressions for the nonlocal forces are determined. The way these nonlocal forces appear in various nonlocal elasticity theories is derived. The length scales that emerge involve the constituent material properties as well as their geometrical dimen- sions. A peridynamic material model for the smoothed displacement eld is derived. It is demonstrated by comparison with experimental data that the incorporation of non- locality in modeling dramatically improves the prediction of the stress concentration in an open hole tension test on a composite plate.

  5. Testing Quantum Gravity Induced Nonlocality via Optomechanical Quantum Oscillators.

    PubMed

    Belenchia, Alessio; Benincasa, Dionigi M T; Liberati, Stefano; Marin, Francesco; Marino, Francesco; Ortolan, Antonello

    2016-04-22

    Several quantum gravity scenarios lead to physics below the Planck scale characterized by nonlocal, Lorentz invariant equations of motion. We show that such nonlocal effective field theories lead to a modified Schrödinger evolution in the nonrelativistic limit. In particular, the nonlocal evolution of optomechanical quantum oscillators is characterized by a spontaneous periodic squeezing that cannot be generated by environmental effects. We discuss constraints on the nonlocality obtained by past experiments, and show how future experiments (already under construction) will either see such effects or otherwise cast severe bounds on the nonlocality scale (well beyond the current limits set by the Large Hadron Collider). This paves the way for table top, high precision experiments on massive quantum objects as a promising new avenue for testing some quantum gravity phenomenology. PMID:27152787

  6. Testing Quantum Gravity Induced Nonlocality via Optomechanical Quantum Oscillators

    NASA Astrophysics Data System (ADS)

    Belenchia, Alessio; Benincasa, Dionigi M. T.; Liberati, Stefano; Marin, Francesco; Marino, Francesco; Ortolan, Antonello

    2016-04-01

    Several quantum gravity scenarios lead to physics below the Planck scale characterized by nonlocal, Lorentz invariant equations of motion. We show that such nonlocal effective field theories lead to a modified Schrödinger evolution in the nonrelativistic limit. In particular, the nonlocal evolution of optomechanical quantum oscillators is characterized by a spontaneous periodic squeezing that cannot be generated by environmental effects. We discuss constraints on the nonlocality obtained by past experiments, and show how future experiments (already under construction) will either see such effects or otherwise cast severe bounds on the nonlocality scale (well beyond the current limits set by the Large Hadron Collider). This paves the way for table top, high precision experiments on massive quantum objects as a promising new avenue for testing some quantum gravity phenomenology.

  7. A Non-Local, Energy-Optimized Kernel: Recovering Second-Order Exchange and Beyond in Extended Systems

    NASA Astrophysics Data System (ADS)

    Bates, Jefferson; Laricchia, Savio; Ruzsinszky, Adrienn

    The Random Phase Approximation (RPA) is quickly becoming a standard method beyond semi-local Density Functional Theory that naturally incorporates weak interactions and eliminates self-interaction error. RPA is not perfect, however, and suffers from self-correlation error as well as an incorrect description of short-ranged correlation typically leading to underbinding. To improve upon RPA we introduce a short-ranged, exchange-like kernel that is one-electron self-correlation free for one and two electron systems in the high-density limit. By tuning the one free parameter in our model to recover an exact limit of the homogeneous electron gas correlation energy we obtain a non-local, energy-optimized kernel that reduces the errors of RPA for both homogeneous and inhomogeneous solids. To reduce the computational cost of the standard kernel-corrected RPA, we also implement RPA renormalized perturbation theory for extended systems, and demonstrate its capability to describe the dominant correlation effects with a low-order expansion in both metallic and non-metallic systems. Furthermore we stress that for norm-conserving implementations the accuracy of RPA and beyond RPA structural properties compared to experiment is inherently limited by the choice of pseudopotential. Current affiliation: King's College London.

  8. Relativistic nuclear magnetic resonance J-coupling with ultrasoft pseudopotentials and the zeroth-order regular approximation

    NASA Astrophysics Data System (ADS)

    Green, Timothy F. G.; Yates, Jonathan R.

    2014-06-01

    We present a method for the first-principles calculation of nuclear magnetic resonance (NMR) J-coupling in extended systems using state-of-the-art ultrasoft pseudopotentials and including scalar-relativistic effects. The use of ultrasoft pseudopotentials is allowed by extending the projector augmented wave (PAW) method of Joyce et al. [J. Chem. Phys. 127, 204107 (2007)]. We benchmark it against existing local-orbital quantum chemical calculations and experiments for small molecules containing light elements, with good agreement. Scalar-relativistic effects are included at the zeroth-order regular approximation level of theory and benchmarked against existing local-orbital quantum chemical calculations and experiments for a number of small molecules containing the heavy row six elements W, Pt, Hg, Tl, and Pb, with good agreement. Finally, 1J(P-Ag) and 2J(P-Ag-P) couplings are calculated in some larger molecular crystals and compared against solid-state NMR experiments. Some remarks are also made as to improving the numerical stability of dipole perturbations using PAW.

  9. One-electron pseudopotential investigation of the RbAr and FrAr van der Waals systems

    NASA Astrophysics Data System (ADS)

    Dhiflaoui, J.; Berriche, H.

    2012-12-01

    The potential energy curves of the ground state and many excited states of RbAr and FrAr van der Waals systems have been determined using a one-electron pseudopotential approach. The pseudopotential technique is used to replace the effect of the Rb+ and Fr+ cores and the electron-Ar interaction. In addition a core-core interaction is included. This has permitted to reduce the number of active electrons of the RbAr and FrAr systems to only one electron, the valence electron. This has led to use very large basis sets for Rb, Fr and Ar atoms. In this context, the potential energy curves of the ground and many excited states are performed at the SCF level. The core-core interactions for Rb+Ar and Fr+Ar are included using the CCSD(T) accurate potentials of Hickling et al. [H. Hickling, L. Viehland, D. Shepherd, P. Soldan, E. Lee and T. Wright, Phys. Chem. Chem. Phys. 6 (2004) 4233]. In addition, the spectroscopic constants of these states are derived and compared with the available theoretical works. Such comparison for RbAr has shown a very good agreement for the ground and the first excited states. However, the FrAr system was not studied previously and its spectroscopic constants are presented here for the first time.

  10. Relativistic nuclear magnetic resonance J-coupling with ultrasoft pseudopotentials and the zeroth-order regular approximation

    SciTech Connect

    Green, Timothy F. G. Yates, Jonathan R.

    2014-06-21

    We present a method for the first-principles calculation of nuclear magnetic resonance (NMR) J-coupling in extended systems using state-of-the-art ultrasoft pseudopotentials and including scalar-relativistic effects. The use of ultrasoft pseudopotentials is allowed by extending the projector augmented wave (PAW) method of Joyce et al. [J. Chem. Phys. 127, 204107 (2007)]. We benchmark it against existing local-orbital quantum chemical calculations and experiments for small molecules containing light elements, with good agreement. Scalar-relativistic effects are included at the zeroth-order regular approximation level of theory and benchmarked against existing local-orbital quantum chemical calculations and experiments for a number of small molecules containing the heavy row six elements W, Pt, Hg, Tl, and Pb, with good agreement. Finally, {sup 1}J(P-Ag) and {sup 2}J(P-Ag-P) couplings are calculated in some larger molecular crystals and compared against solid-state NMR experiments. Some remarks are also made as to improving the numerical stability of dipole perturbations using PAW.

  11. Pseudopotential-Based Correlation Consistent Composite Approach (rp-ccCA) for First- and Second-Row Transition Metal Thermochemistry.

    PubMed

    Manivasagam, Sivabalan; Laury, Marie L; Wilson, Angela K

    2015-07-01

    The relativistic-pseudopotential correlation consistent composite approach (rp-ccCA) was used to determine the enthalpy of formation (ΔHf) of 24 first row (3d) transition metal compounds. The rp-ccCA-derived ΔHf's were compared to ΔHf's previously obtained with an all-electron composite method for transition metals (ccCA-TM). For the 3d metal systems, rp-ccCA achieves transition metal accuracy, within 3 kcal/mol of reliable experimental data, overall. By utilizing pseudopotentials within the rp-ccCA methodology, we observed a significant computational time savings (53%) in comparison to the all-electron basis sets employed within ccCA-TM. With the proven reliability and accuracy of rp-ccCA, the methodology was employed to construct a calibration set of 210 second-row (4d) transition metal compounds and their ΔHf's. The 4d calibration set is referred to as 4dHf-210. Within the 4dHf-210 set, there were 61 molecules with available experimental data. The average experimental uncertainty was 4.05 kcal/mol and the mean absolute deviation of rp-ccCA was 3.64 kcal/mol, excluding outliers (10 total). This study provides a large set of energetics that can be used to gauge existing and future computational methodologies and to aid experimentalists in reaction design. PMID:26000954

  12. GaAs quantum structures: comparison between direct pseudopotential and single-band truncated-crystal calculations

    NASA Astrophysics Data System (ADS)

    Franceschetti, Alberto; Zunger, Alex

    1996-03-01

    We compare the results of a single-band truncated-crystal (SBTC) approximation with direct pseudopotential calculations for free-standing, hydrogen-passivated GaAs quantum films, wires and dots. While the non parabolicity of the bulk energy bands is taken into account by the SBTC approximation, the interband coupling introduced by the lack of translational invariance is ignored. We find that (i) the confinement energy of the valence-band maximum is overestimated by the SBTC method, because the ``zero-confinement'' character of this state is neglected; (ii) the confinement energy of the Γ-derived conduction-band minimum (direct gap) is slightly overestimated by the SBTC approximation, mainly because of the assumption of infinite potential barriers at the boundaries; (iii) the confinement energy of the X-derived conduction-band minimum (indirect gap) is severely underestimated by the SBTC method in quantum wires and dots; (iv) while the SBTC approximation predicts ``quantum deconfinement'' (i.e. reduction of gap as size is reduced) for the direct gap of quantum wires, such effect is not present in the direct pseudopotential calculation.

  13. Infrared image denoising by nonlocal means filtering

    NASA Astrophysics Data System (ADS)

    Dee-Noor, Barak; Stern, Adrian; Yitzhaky, Yitzhak; Kopeika, Natan

    2012-05-01

    The recently introduced non-local means (NLM) image denoising technique broke the traditional paradigm according to which image pixels are processed by their surroundings. Non-local means technique was demonstrated to outperform state-of-the art denoising techniques when applied to images in the visible. This technique is even more powerful when applied to low contrast images, which makes it tractable for denoising infrared (IR) images. In this work we investigate the performance of NLM applied to infrared images. We also present a new technique designed to speed-up the NLM filtering process. The main drawback of the NLM is the large computational time required by the process of searching similar patches. Several techniques were developed during the last years to reduce the computational burden. Here we present a new techniques designed to reduce computational cost and sustain optimal filtering results of NLM technique. We show that the new technique, which we call Multi-Resolution Search NLM (MRS-NLM), reduces significantly the computational cost of the filtering process and we present a study of its performance on IR images.

  14. An investigation of the diffraction of an acoustic plane wave by a curved surface of finite impedance. Ph.D. Thesis Final Technical Report, 1 Feb. 1985 - 1 Sep. 1989

    NASA Technical Reports Server (NTRS)

    Kearns, James A.

    1989-01-01

    Phenomena associated with long range propagation of sound over irregular topography motivated this work, which was to analyze the diffraction effects which would occur near the tops of hills and ridges. The diffraction of a high frequency plane wave due to its grazing of a two-dimensional curved surface of finite impedance was also studied. Laboratory scale models were constructed and measurements were made of the field on, above, and behind either of two curved surfaces possessing distinctly different impedances; that is, one was soft while the other was hard. The experimental technique consisted of simultaneously measuring the pressure at a reference point and at a field point due to a transient pulse generated by an electric spark. The pressure waveforms were digitized and processed. The ratio of the discrete Fourier transforms of the two waveforms provided an estimate of the insertion loss between them. The results of the measurements were compared with the predictions of a theory which was derived by Pierce using the method of Matched Asymptotic Expansions (MAE). The predictions relied upon the experimental evaluation of the impedance of each surface at grazing angles of incidence. This evaluation was achieved by a fairly standard technique involving empirical models of various generic types of surfaces. An example was shown of the important role that the structural intricacies of a surface play in the determination of an appropriate model. The comparison between the measurements and predictions indicated that the theory gives an excellent description of the field anywhere near a curved surface. Further, with a simple modification, the theory was also shown to give nearly as good of a description of the field surrounding a curved surface even at distances far behind the surface yet near the line of sight.

  15. Generalized non-local surface susceptibility model and Fresnel coefficients for the characterization of periodic metafilms with bianisotropic scatterers

    SciTech Connect

    Dimitriadis, Alexandros I.; Kantartzis, Nikolaos V.; Tsiboukis, Theodoros D.; Hafner, Christian

    2015-01-15

    Highlights: •Formulas for E/M fields radiated by continuous surface polarization distributions. •Non-local effective surface susceptibility model for periodic metafilms. •Generalized reflection and transmission coefficients for an arbitrary metafilm. •Successful treatment of non-planar scatterer arrays and spatial dispersion effects. -- Abstract: A non-local surface susceptibility model for the consistent description of periodic metafilms formed by arbitrarily-shaped, electrically-small, bianisotropic scatterers is developed in this paper. The rigorous scheme is based on the point-dipole approximation technique and is valid for any polarization and propagation direction of an electromagnetic wave impinging upon the metafilm, unlike existing approaches whose applicability is practically confined to very specific cases of incidence. Next, the universal form of the resulting surface susceptibility matrix is employed for the derivation of the generalized Fresnel coefficients for such surfaces, which enable the comprehensive interpretation of several significant, yet relatively unexamined, physical interactions. Essentially, these coefficients include eight distinct terms, corresponding to the co-polarized and cross-polarized reflection and transmission coefficients for the two orthogonal eigenpolarizations of a linearly-polarized incident plane wave. The above formulas are, then, utilized for the prediction of the scattering properties of metafilms with different planar and non-planar resonators, which are characterized via the featured model and two previously reported local ones. Their comparison with numerical simulation outcomes substantiates the merits of the proposed method, reveals important aspects of the underlying physics, and highlights the differences between the various modeling procedures.

  16. Nonlocal Mumford-Shah regularizers for color image restoration.

    PubMed

    Jung, Miyoun; Bresson, Xavier; Chan, Tony F; Vese, Luminita A

    2011-06-01

    We propose here a class of restoration algorithms for color images, based upon the Mumford-Shah (MS) model and nonlocal image information. The Ambrosio-Tortorelli and Shah elliptic approximations are defined to work in a small local neighborhood, which are sufficient to denoise smooth regions with sharp boundaries. However, texture is nonlocal in nature and requires semilocal/non-local information for efficient image denoising and restoration. Inspired from recent works (nonlocal means of Buades, Coll, Morel, and nonlocal total variation of Gilboa, Osher), we extend the local Ambrosio-Tortorelli and Shah approximations to MS functional (MS) to novel nonlocal formulations, for better restoration of fine structures and texture. We present several applications of the proposed nonlocal MS regularizers in image processing such as color image denoising, color image deblurring in the presence of Gaussian or impulse noise, color image inpainting, color image super-resolution, and color filter array demosaicing. In all the applications, the proposed nonlocal regularizers produce superior results over the local ones, especially in image inpainting with large missing regions. We also prove several characterizations of minimizers based upon dual norm formulations. PMID:21078579

  17. Effects of nonlocal potentials on (p ,d ) transfer reactions

    NASA Astrophysics Data System (ADS)

    Ross, A.; Titus, L. J.; Nunes, F. M.; Mahzoon, M. H.; Dickhoff, W. H.; Charity, R. J.

    2015-10-01

    Background: Although local phenomenological optical potentials have been standardly used to interpret nuclear reactions, recent studies suggest the effects of nonlocality should not be neglected. Purpose: In this work we investigate the effects of nonlocality in (p ,d ) transfer reactions using nonlocal optical potentials. We compare results obtained with the dispersive optical model to those obtained using the Perey-Buck interaction. Method: We solve the scattering and bound-state equations for the nonlocal version of the dispersive optical model. Then, using the distorted-wave Born approximation, we calculate the transfer cross section for (p ,d ) on 40Ca at Ep=20 , 35, and 50 MeV. Results: The inclusion of nonlocality in the bound state has a larger effect than that in the scattering states. The overall effect on the transfer cross section is very significant. We found an increase due to nonlocality in the transfer cross section of ≈30 - 50 % when using the Perey-Buck interaction and of ≈15 - 50 % when using the dispersive optical potential. Conclusions: Although the details of the nonlocal interaction can change the magnitude of the effects, our study shows that qualitatively the results obtained using the dispersive optical potential and the Perey-Buck interaction are consistent, in both cases the transfer cross sections are significantly increased.

  18. Switching non-local median filter

    NASA Astrophysics Data System (ADS)

    Matsuoka, Jyohei; Koga, Takanori; Suetake, Noriaki; Uchino, Eiji

    2015-06-01

    This paper describes a novel image filtering method for removal of random-valued impulse noise superimposed on grayscale images. Generally, it is well known that switching-type median filters are effective for impulse noise removal. In this paper, we propose a more sophisticated switching-type impulse noise removal method in terms of detail-preserving performance. Specifically, the noise detector of the proposed method finds out noise-corrupted pixels by focusing attention on the difference between the value of a pixel of interest (POI) and the median of its neighboring pixel values, and on the POI's isolation tendency from the surrounding pixels. Furthermore, the removal of the detected noise is performed by the newly proposed median filter based on non-local processing, which has superior detail-preservation capability compared to the conventional median filter. The effectiveness and the validity of the proposed method are verified by some experiments using natural grayscale images.

  19. Nonlocal means denoising of ECG signals.

    PubMed

    Tracey, Brian H; Miller, Eric L

    2012-09-01

    Patch-based methods have attracted significant attention in recent years within the field of image processing for a variety of problems including denoising, inpainting, and super-resolution interpolation. Despite their prevalence for processing 2-D signals, they have received little attention in the 1-D signal processing literature. In this letter, we explore application of one such method, the nonlocal means (NLM) approach, to the denoising of biomedical signals. Using ECG as an example, we demonstrate that a straightforward NLM-based denoising scheme provides signal-to-noise ratio improvements very similar to state of the art wavelet-based methods, while giving ~3 × or greater reduction in metrics measuring distortion of the denoised waveform. PMID:22829361

  20. Single-electron entanglement and nonlocality

    NASA Astrophysics Data System (ADS)

    Dasenbrook, David; Bowles, Joseph; Bohr Brask, Jonatan; Hofer, Patrick P.; Flindt, Christian; Brunner, Nicolas

    2016-04-01

    Motivated by recent progress in electron quantum optics, we revisit the question of single-electron entanglement, specifically whether the state of a single electron in a superposition of two separate spatial modes should be considered entangled. We first discuss a gedanken experiment with single-electron sources and detectors, and demonstrate deterministic (i. e. without post-selection) Bell inequality violation. This implies that the single-electron state is indeed entangled and, furthermore, nonlocal. We then present an experimental scheme where single-electron entanglement can be observed via measurements of the average currents and zero-frequency current cross-correlators in an electronic Hanbury Brown–Twiss interferometer driven by Lorentzian voltage pulses. We show that single-electron entanglement is detectable under realistic operating conditions. Our work settles the question of single-electron entanglement and opens promising perspectives for future experiments.

  1. A nonlocal spatial model for Lyme disease

    NASA Astrophysics Data System (ADS)

    Yu, Xiao; Zhao, Xiao-Qiang

    2016-07-01

    This paper is devoted to the study of a nonlocal and time-delayed reaction-diffusion model for Lyme disease with a spatially heterogeneous structure. In the case of a bounded domain, we first prove the existence of the positive steady state and a threshold type result for the disease-free system, and then establish the global dynamics for the model system in terms of the basic reproduction number. In the case of an unbound domain, we obtain the existence of the disease spreading speed and its coincidence with the minimal wave speed. At last, we use numerical simulations to verify our analytic results and investigate the influence of model parameters and spatial heterogeneity on the disease infection risk.

  2. Nonlocal kinetic-energy-density functionals

    SciTech Connect

    Garcia-Gonzalez, P.; Alvarellos, J.E.; Chacon, E. |

    1996-04-01

    In this paper we present nonlocal kinetic-energy functionals {ital T}[{ital n}] within the average density approximation (ADA) framework, which do not require any extra input when applied to any electron system and recover the exact kinetic energy and the linear response function of a homogeneous system. In contrast with previous ADA functionals, these present good behavior of the long-range tail of the exact weight function. The averaging procedure for the kinetic functional (averaging the Fermi momentum of the electron gas, instead of averaging the electron density) leads to a functional without numerical difficulties in the calculation of extended systems, and it gives excellent results when applied to atoms and jellium surfaces. {copyright} {ital 1996 The American Physical Society.}

  3. Nonlocal Constitutive Relation for Steady Granular Flow

    NASA Astrophysics Data System (ADS)

    Kamrin, Ken; Koval, Georg

    2012-04-01

    Extending recent modeling efforts for emulsions, we propose a nonlocal fluidity relation for flowing granular materials, capturing several known finite-size effects observed in steady flow. We express the local Bagnold-type granular flow law in terms of a fluidity ratio and then extend it with a particular Laplacian term that is scaled by the grain size. The resulting model is calibrated against a sequence of existing discrete element method data sets for two-dimensional annular shear, where it is shown that the model correctly describes the divergence from a local rheology due to the grain size as well as the rate-independence phenomenon commonly observed in slowly flowing zones. The same law is then applied in two additional inhomogeneous flow geometries, and the predicted velocity profiles are compared against corresponding discrete element method simulations utilizing the same grain composition as before, yielding favorable agreement in each case.

  4. Origins of nonlocality near the neutrality point in graphene.

    PubMed

    Renard, Julien; Studer, Matthias; Folk, Joshua A

    2014-03-21

    We present an experimental study of nonlocal electrical signals near the Dirac point in graphene. The in-plane magnetic field dependence of the nonlocal signal confirms the role of spin in this effect, as expected from recent predictions of the Zeeman spin Hall effect in graphene, but our experiments show that thermo-magneto-electric effects also contribute to nonlocality, and the effect is sometimes stronger than that due to spin. Thermal effects are seen to be very sensitive to sample details that do not influence other transport parameters. PMID:24702396

  5. Linear delta-f simulations of nonlocal electron heat transport

    SciTech Connect

    Brunner, S.; Valeo, E.; Krommes, J.A.

    2000-01-27

    Nonlocal electron heat transport calculations are carried out by making use of some of the techniques developed previously for extending the delta f method to transport time scale simulations. By considering the relaxation of small amplitude temperature perturbations of a homogeneous Maxwellian background, only the linearized Fokker-Planck equation has to be solved, and direct comparisons can be made with the equivalent, nonlocal hydrodynamic approach. A quasineutrality-conserving algorithm is derived for computing the self-consistent electric fields driving the return currents. In the low-collisionality regime, results illustrate the importance of taking account of nonlocality in both space and time.

  6. Quantitative relations between measurement incompatibility, quantum steering, and nonlocality

    NASA Astrophysics Data System (ADS)

    Cavalcanti, D.; Skrzypczyk, P.

    2016-05-01

    The certification of Bell nonlocality or quantum steering implies the use of incompatible measurements. Here we make this connection quantitative. We show how to strengthen robustness-based steering and nonlocality quantifiers in order that they give strong lower bounds to previously proposed incompatibility quantifiers. Our results can be seen from two perspectives. On the one hand, they can be used to estimate how much steering or nonlocality can be demonstrated with a given set of measurements. On the other hand, they give one-sided device-independent and device-independent ways of estimating measurement incompatibility.

  7. Large nonlocal nonlinear optical response of castor oil

    NASA Astrophysics Data System (ADS)

    Souza, Rogério F.; Alencar, Márcio A. R. C.; Meneghetti, Mario R.; Hickmann, Jandir M.

    2009-09-01

    The nonlocal nonlinearity of castor oil was investigated using the Z-scan technique in the CW regime at 514 nm and in femtosecond regime at 810 nm. Large negative nonlinear refractive indexes of thermal origin, thermo-optical coefficients and degree of nonlocality were obtained for both laser excitation wavelengths. The results indicate that the electronic part of the nonlinear refractive index and nonlinear absorption were negligible. Our results suggest that castor oil is promising candidate as a nonlinear medium for several nonlocal optical applications, such as in spatial soliton propagation, as well as a dispersant agent in the measurement of absorptive properties of nanoparticles.

  8. Nonlinear structure formation in nonlocal gravity

    SciTech Connect

    Barreira, Alexandre; Li, Baojiu; Hellwing, Wojciech A.; Baugh, Carlton M.; Pascoli, Silvia E-mail: baojiu.li@durham.ac.uk E-mail: c.m.baugh@durham.ac.uk

    2014-09-01

    We study the nonlinear growth of structure in nonlocal gravity models with the aid of N-body simulation and the spherical collapse and halo models. We focus on a model in which the inverse-squared of the d'Alembertian operator acts on the Ricci scalar in the action. For fixed cosmological parameters, this model differs from ΛCDM by having a lower late-time expansion rate and an enhanced and time-dependent gravitational strength ∼ 6% larger today). Compared to ΛCDM today, in the nonlocal model, massive haloes are slightly more abundant (by ∼ 10% at M ∼ 10{sup 14} M{sub ⊙}/h) and concentrated ≈ 8% enhancement over a range of mass scales), but their linear bias remains almost unchanged. We find that the Sheth-Tormen formalism describes the mass function and halo bias very well, with little need for recalibration of free parameters. The fitting of the halo concentrations is however essential to ensure the good performance of the halo model on small scales. For k ∼> 1 h/Mpc, the amplitude of the nonlinear matter and velocity divergence power spectra exhibits a modest enhancement of ∼ 12% to 15%, compared to ΛCDM today. This suggests that this model might only be distinguishable from ΛCDM by future observational missions. We point out that the absence of a screening mechanism may lead to tensions with Solar System tests due to local time variations of the gravitational strength, although this is subject to assumptions about the local time evolution of background averaged quantities.

  9. A Combinatorial Approach to Nonlocality and Contextuality

    NASA Astrophysics Data System (ADS)

    Acín, Antonio; Fritz, Tobias; Leverrier, Anthony; Sainz, Ana Belén

    2015-03-01

    So far, most of the literature on (quantum) contextuality and the Kochen-Specker theorem seems either to concern particular examples of contextuality, or be considered as quantum logic. Here, we develop a general formalism for contextuality scenarios based on the combinatorics of hypergraphs, which significantly refines a similar recent approach by Cabello, Severini and Winter (CSW). In contrast to CSW, we explicitly include the normalization of probabilities, which gives us a much finer control over the various sets of probabilistic models like classical, quantum and generalized probabilistic. In particular, our framework specializes to (quantum) nonlocality in the case of Bell scenarios, which arise very naturally from a certain product of contextuality scenarios due to Foulis and Randall. In the spirit of CSW, we find close relationships to several graph invariants. The recently proposed Local Orthogonality principle turns out to be a special case of a general principle for contextuality scenarios related to the Shannon capacity of graphs. Our results imply that it is strictly dominated by a low level of the Navascués-Pironio-Acín hierarchy of semidefinite programs, which we also apply to contextuality scenarios. We derive a wealth of results in our framework, many of these relating to quantum and supraquantum contextuality and nonlocality, and state numerous open problems. For example, we show that the set of quantum models on a contextuality scenario can in general not be characterized in terms of a graph invariant. In terms of graph theory, our main result is this: there exist two graphs and with the properties

  10. Serendipitous discoveries in nonlocal gravity theory

    NASA Astrophysics Data System (ADS)

    Barvinsky, A. O.

    2012-05-01

    We present a class of generally covariant nonlocal gravity models which have a flat-space general relativistic limit and also possess a stable de Sitter or anti-de Sitter (AdS) background with an arbitrary value of its cosmological constant. The nonlocal action of the theory is formulated in the Euclidean signature spacetime and is understood as an approximation to the quantum effective action (generating functional of one-particle irreducible diagrams) originating from fundamental quantum gravity theory. Using the known relation between the Schwinger-Keldysh technique for quantum expectation values and the Euclidean quantum field theory we derive from this action the causal effective equations of motion for mean value of the metric field in the physical Lorentzian-signature spacetime. Thus we show that the (A)dS background of the theory carries as free propagating modes massless gravitons having two polarizations identical to those of the Einstein theory with a cosmological term. The on-shell action of the theory is vanishing both for the flat-space and (A)dS backgrounds which play the role of stable vacua underlying, respectively, the ultraviolet and infrared phases of the theory. We also obtain linearized gravitational potentials of compact matter sources and show that in the infrared (A)dS phase their effective gravitational coupling Geff can be essentially different from the Newton gravitational constant GN of the short-distance general relativistic phase. When Geff≫GN the (A)dS phase can be regarded as a strongly coupled infrared modification of Einstein theory not only describing the dark energy mechanism of cosmic acceleration but also simulating the dark matter phenomenon by enhanced gravitational attraction at long distances.

  11. Consistent treatment of charged systems within periodic boundary conditions: The Projector Augmented-Wave and pseudopotential methods revisited

    NASA Astrophysics Data System (ADS)

    Crocombette, Jean-Paul; Bruneval, Fabien; Gonze, Xavier; Dorado, Boris; Torrent, Marc; Jollet, Francois

    2014-03-01

    The ab initio calculation of charged defect properties in solids is not straightforward because of the delicate interplay between the long-range Coulomb interaction and the periodic boundary conditions. We derive the Projector Augmented-Wave (PAW) energy and hamiltonian with a special care on the potentials from Coulomb interaction. By explicitly treating the background compensation charge, we find a new term in the total energy of charged cells and in the potential. We show that this background term is needed to accurately reproduce all-electron calculations of the formation energy of a charged defect. In particular, the previous PAW expressions were spuriously sensitive to the pseudization conditions and this artifact is removed by the background term. This PAW derivation also provides insights into the norm-conserving pseudopotential framework. We propose then an alternative definition for the total energy of charged cells and for the potential within this framework.

  12. Quantum Monte Carlo method using phase-free random walks with slater determinants.

    PubMed

    Zhang, Shiwei; Krakauer, Henry

    2003-04-01

    We develop a quantum Monte Carlo method for many fermions using random walks in the space of Slater determinants. An approximate approach is formulated with a trial wave function |Psi(T)> to control the phase problem. Using a plane-wave basis and nonlocal pseudopotentials, we apply the method to Be, Si, and P atoms and dimers, and to bulk Si supercells. Single-determinant wave functions from density functional theory calculations were used as |Psi(T)> with no additional optimization. The calculated binding energies of dimers and cohesive energy of bulk Si are in excellent agreement with experiments and are comparable to the best existing theoretical results. PMID:12689312

  13. Calculating nonlocal optical properties of structures with arbitrary shape.

    SciTech Connect

    McMahon, J. M.; Gray, S. K.; Schatz, G. C.; Northwestern Univ.

    2010-07-16

    In a recent Letter [J. M. McMahon, S. K. Gray, and G. C. Schatz, Phys. Rev. Lett. 103, 097403 (2009)], we outlined a computational method to calculate the optical properties of structures with a spatially nonlocal dielectric function. In this paper, we detail the full method and verify it against analytical results for cylindrical nanowires. Then, as examples of our method, we calculate the optical properties of Au nanostructures in one, two, and three dimensions. We first calculate the transmission, reflection, and absorption spectra of thin films. Because of their simplicity, these systems demonstrate clearly the longitudinal (or volume) plasmons characteristic of nonlocal effects, which result in anomalous absorption and plasmon blueshifting. We then study the optical properties of spherical nanoparticles, which also exhibit such nonlocal effects. Finally, we compare the maximum and average electric field enhancements around nanowires of various shapes to local theory predictions. We demonstrate that when nonlocal effects are included, significant decreases in such properties can occur.

  14. Popescu-Rohrlich correlations imply efficient instantaneous nonlocal quantum computation

    NASA Astrophysics Data System (ADS)

    Broadbent, Anne

    2016-08-01

    In instantaneous nonlocal quantum computation, two parties cooperate in order to perform a quantum computation on their joint inputs, while being restricted to a single round of simultaneous communication. Previous results showed that instantaneous nonlocal quantum computation is possible, at the cost of an exponential amount of prior shared entanglement (in the size of the input). Here, we show that a linear amount of entanglement suffices, (in the size of the computation), as long as the parties share nonlocal correlations as given by the Popescu-Rohrlich box. This means that communication is not required for efficient instantaneous nonlocal quantum computation. Exploiting the well-known relation to position-based cryptography, our result also implies the impossibility of secure position-based cryptography against adversaries with nonsignaling correlations. Furthermore, our construction establishes a quantum analog of the classical communication complexity collapse under nonsignaling correlations.

  15. Nonlocality-driven supercontinuum white light generation in plasmonic nanostructures

    NASA Astrophysics Data System (ADS)

    Krasavin, A. V.; Ginzburg, P.; Wurtz, G. A.; Zayats, A. V.

    2016-05-01

    Structured plasmonic metals are widely employed for achieving nonlinear functionalities at the nanoscale due to their ability to confine and enhance electromagnetic fields and strong, inherent nonlinearity. Optical nonlinearities in centrosymmetric metals are dominated by conduction electron dynamics, which at the nanoscale can be significantly affected by the nonlocal effects. Here we show that nonlocal corrections, being usually small in the linear optical response, define nonlinear properties of plasmonic nanostructures. Using a full non-perturbative time-domain hydrodynamic description of electron plasma under femtosecond excitation, we numerically investigate harmonic generation in metallic Archimedean nanospirals, revealing the interplay between geometric and nonlocal effects. The quantum pressure term in the nonlinear hydrodynamic model results in the emergence of fractional nonlinear harmonics leading to broadband coherent white-light generation. The described effects present a novel class of nonlinear phenomena in metallic nanostructures determined by nonlocality of the electron response.

  16. Nonlocal microscopic theory of quantum friction between parallel metallic slabs

    SciTech Connect

    Despoja, Vito

    2011-05-15

    We present a new derivation of the friction force between two metallic slabs moving with constant relative parallel velocity, based on T=0 quantum-field theory formalism. By including a fully nonlocal description of dynamically screened electron fluctuations in the slab, and avoiding the usual matching-condition procedure, we generalize previous expressions for the friction force, to which our results reduce in the local limit. Analyzing the friction force calculated in the two local models and in the nonlocal theory, we show that for physically relevant velocities local theories using the plasmon and Drude models of dielectric response are inappropriate to describe friction, which is due to excitation of low-energy electron-hole pairs, which are properly included in nonlocal theory. We also show that inclusion of dissipation in the nonlocal electronic response has negligible influence on friction.

  17. Nonlocality-driven supercontinuum white light generation in plasmonic nanostructures

    PubMed Central

    Krasavin, A. V.; Ginzburg, P.; Wurtz, G. A.; Zayats, A. V.

    2016-01-01

    Structured plasmonic metals are widely employed for achieving nonlinear functionalities at the nanoscale due to their ability to confine and enhance electromagnetic fields and strong, inherent nonlinearity. Optical nonlinearities in centrosymmetric metals are dominated by conduction electron dynamics, which at the nanoscale can be significantly affected by the nonlocal effects. Here we show that nonlocal corrections, being usually small in the linear optical response, define nonlinear properties of plasmonic nanostructures. Using a full non-perturbative time-domain hydrodynamic description of electron plasma under femtosecond excitation, we numerically investigate harmonic generation in metallic Archimedean nanospirals, revealing the interplay between geometric and nonlocal effects. The quantum pressure term in the nonlinear hydrodynamic model results in the emergence of fractional nonlinear harmonics leading to broadband coherent white-light generation. The described effects present a novel class of nonlinear phenomena in metallic nanostructures determined by nonlocality of the electron response. PMID:27157982

  18. Nonlocality-driven supercontinuum white light generation in plasmonic nanostructures.

    PubMed

    Krasavin, A V; Ginzburg, P; Wurtz, G A; Zayats, A V

    2016-01-01

    Structured plasmonic metals are widely employed for achieving nonlinear functionalities at the nanoscale due to their ability to confine and enhance electromagnetic fields and strong, inherent nonlinearity. Optical nonlinearities in centrosymmetric metals are dominated by conduction electron dynamics, which at the nanoscale can be significantly affected by the nonlocal effects. Here we show that nonlocal corrections, being usually small in the linear optical response, define nonlinear properties of plasmonic nanostructures. Using a full non-perturbative time-domain hydrodynamic description of electron plasma under femtosecond excitation, we numerically investigate harmonic generation in metallic Archimedean nanospirals, revealing the interplay between geometric and nonlocal effects. The quantum pressure term in the nonlinear hydrodynamic model results in the emergence of fractional nonlinear harmonics leading to broadband coherent white-light generation. The described effects present a novel class of nonlinear phenomena in metallic nanostructures determined by nonlocality of the electron response. PMID:27157982

  19. Quantum nonlocality via local contextuality with qubit-qubit entanglement

    NASA Astrophysics Data System (ADS)

    Saha, Debashis; Cabello, Adán; Choudhary, Sujit K.; Pawłowski, Marcin

    2016-04-01

    Quantum nonlocality can be revealed "via local contextuality" in qudit-qudit entangled systems with d >2 , that is, through the violation of inequalities containing Alice-Bob correlations that admit a local description, and Alice-Alice correlations (between the results of sequences of measurements on Alice's subsystem) that admit a local (but contextual) description. A fundamental question to understand the respective roles of entanglement and local contextuality is whether nonlocality via local contextuality exists when the parties have only qubit-qubit entanglement. Here we respond affirmatively to this question. This result further clarifies the connection between contextuality and nonlocality and opens the door for observing nonlocality via local contextuality in actual experiments.

  20. Nonlocal nonlinear refraction in Hibiscus sabdariffa with large phase shifts.

    PubMed

    Ramírez-Martínez, D; Alvarado-Méndez, E; Trejo-Durán, M; Vázquez-Guevara, M A

    2014-10-20

    In this work we present a study of nonlinear optical properties in organic materials (hibiscus sabdariffa). Our results demonstrate that the medium exhibits a highly nonlocal nonlinear response. We show preliminary numerical results of the transmittance as nonlocal response by considering, simultaneously, the nonlinear absorption and refraction in media. Numerical results are accord to measurement obtained by Z- scan technique where we observe large phase shifts. We also analyze the far field diffraction ring patterns of the sample. PMID:25401548

  1. Non-local F(R)-mimetic gravity

    NASA Astrophysics Data System (ADS)

    Myrzakulov, Ratbay; Sebastiani, Lorenzo

    2016-06-01

    In this paper, we study non-local F(R)-mimetic gravity. We implement mimetic gravity in the framework of non-local F(R)-theories of gravity. Given some specific class of models and using a potential on the mimetic field, we investigate some scenarios related to the early-time universe, namely the inflation and the cosmological bounce, which bring to Einstein's gravity with cold dark matter at the late-time.

  2. Protecting quantum entanglement and nonlocality for tripartite states under decoherence

    NASA Astrophysics Data System (ADS)

    Zhang, Rui; Yin, Yu Hao; Ma, Wen Chao; Ye, Liu

    2016-06-01

    Quantum entanglement and nonlocality will suffer inevitable harm from decoherence environment. Based on GHZ state, we study the harm of the generalized amplitude damping (GAD) operation and the protection by the single local filtering (SLF) operation in this paper. We verify that the SLF functions to depress the loss of entanglement and nonlocality from GAD. This conclusion will guide us to select the best method to protect the GHZ state from GAD decoherence.

  3. Stabilization of vortex solitons in nonlocal nonlinear media

    SciTech Connect

    Minzoni, Antonmaria A.; Smyth, Noel F.; Worthy, Annette L.; Kivshar, Yuri S.

    2007-12-15

    We study the evolution of vortex solitons in optical media with a nonlocal nonlinear response. We employ a modulation theory for the vortex parameters based on an averaged Lagrangian, and analyze the azimuthal evolution of both the vortex width and diffractive radiation. We describe analytically the physical mechanism for vortex stabilization due to the long-range nonlocal nonlinear response, the effect observed earlier in numerical simulations only.

  4. From local to nonlocal Fermi liquid in doped antiferromagnets

    SciTech Connect

    Prelovsek, P. |; Jaklic, J.; Bedell, K.

    1999-07-01

    The variation of single-particle spectral functions with doping is studied numerically within the t-J model. Results suggest that the corresponding self-energies change from local ones at the intermediate doping to strongly nonlocal ones for a weakly doped antiferromagnet. The nonlocality shows up most clearly in the pseudogap emerging in the density of states, due to the onset of short-range antiferromagnetic correlations. {copyright} {ital 1999} {ital The American Physical Society}

  5. Nonlocality in pure and mixed n-qubit X states

    NASA Astrophysics Data System (ADS)

    Batle, J.; Ooi, C. H. Raymond; Farouk, Ahmed; Abdalla, S.

    2016-04-01

    Nonlocality for general multiqubit X states is studied in detail. Pure and mixed states are analyzed as far as their maximum amount of nonlocality is concerned, and analytic results are obtained for important families of these states. The particular form of nonzero diagonal and antidiagonal matrix elements makes the corresponding study easy enough to obtain exact results. We also provide a numerical recipe to randomly generate an important family of X states endowed with a given degree of mixture.

  6. Meson phenomenology and phase transitions in nonlocal chiral quark models

    NASA Astrophysics Data System (ADS)

    Carlomagno, J. P.; Gomez Dumm, D.; Pagura, V.; Scoccola, N. N.

    2015-07-01

    We study the features of nonlocal chiral quark models that include wave function renormalization. Model parameters are determined from meson phenomenology, considering different nonlocal form factor shapes. In this context we analyze the characteristics of the deconfinement and chiral restoration transitions at finite temperature and chemical potential, introducing the couplings of fermions to the Polyakov loop for different Polyakov potentials. The results for various thermodynamical quantities are compared with data obtained from lattice QCD calculations.

  7. Color Image Restoration Using Nonlocal Mumford-Shah Regularizers

    NASA Astrophysics Data System (ADS)

    Jung, Miyoun; Bresson, Xavier; Chan, Tony F.; Vese, Luminita A.

    We introduce several color image restoration algorithms based on the Mumford-Shah model and nonlocal image information. The standard Ambrosio-Tortorelli and Shah models are defined to work in a small local neighborhood, which are sufficient to denoise smooth regions with sharp boundaries. However, textures are not local in nature and require semi-local/non-local information to be denoised efficiently. Inspired from recent work (NL-means of Buades, Coll, Morel and NL-TV of Gilboa, Osher), we extend the standard models of Ambrosio-Tortorelli and Shah approximations to Mumford-Shah functionals to work with nonlocal information, for better restoration of fine structures and textures. We present several applications of the proposed nonlocal MS regularizers in image processing such as color image denoising, color image deblurring in the presence of Gaussian or impulse noise, color image inpainting, and color image super-resolution. In the formulation of nonlocal variational models for the image deblurring with impulse noise, we propose an efficient preprocessing step for the computation of the weight function w. In all the applications, the proposed nonlocal regularizers produce superior results over the local ones, especially in image inpainting with large missing regions. Experimental results and comparisons between the proposed nonlocal methods and the local ones are shown.

  8. Nonlocal transport in a hybrid two-dimensional topological insulator

    NASA Astrophysics Data System (ADS)

    Xing, Yanxia; Sun, Qing-feng

    2014-02-01

    We study nonlocal resistance in an H-shaped two-dimensional HgTe/CdTe quantum well consisting of an injector and a detector, both of which can be tuned in the quantum spin Hall or metallic spin Hall regime. Because of strong spin-orbit interaction, there always exists the spin Hall effect and nonlocal resistance in the HgTe/CdTe quantum well. We find that when both the detector and the injector are in the quantum spin Hall regime, the nonlocal resistance is quantized at 0.25he2, which is robust against weak disorder scattering and small magnetic field. When the detector or injector is beyond this regime, the nonlocal resistance decreases rapidly and will be strongly suppressed by disorder and magnetic field. In the presence of a strong magnetic field, the quantum spin Hall regime will be switched into the quantum Hall regime, and the nonlocal resistance will disappear. The nonlocal signal and its various manifestations in different hybrid regimes originate from the special band structure of the HgTe/CdTe quantum well, and they can be considered as the fingerprint of the helical quantum spin Hall edge states in a two-dimensional topological insulator.

  9. Nonlocal similarity based DEM super resolution

    NASA Astrophysics Data System (ADS)

    Xu, Zekai; Wang, Xuewen; Chen, Zixuan; Xiong, Dongping; Ding, Mingyue; Hou, Wenguang

    2015-12-01

    This paper discusses a new topic, DEM super resolution, to improve the resolution of an original DEM based on its partial new measurements obtained with high resolution. A nonlocal algorithm is introduced to perform this task. The original DEM was first divided into overlapping patches, which were classified either as "test" or "learning" data depending on whether or not they are related to high resolution measurements. For each test patch, the similar patches in the learning dataset were identified via template matching. Finally, the high resolution DEM of the test patch was restored by the weighted sum of similar patches under the condition that the reconstruction weights were the same in different resolution cases. A key assumption of this strategy is that there are some repeated or similar modes in the original DEM, which is quite common. Experiments were done to demonstrate that we can restore a DEM by preserving the details without introducing artifacts. Statistic analysis was also conducted to show that this method can obtain higher accuracy than traditional interpolation methods.

  10. On locally and nonlocally related potential systems

    NASA Astrophysics Data System (ADS)

    Cheviakov, Alexei F.; Bluman, George W.

    2010-07-01

    For any partial differential equation (PDE) system, a local conservation law yields potential equations in terms of some potential variable, which normally is a nonlocal variable. The current paper examines situations when such a potential variable is a local variable, i.e., is a function of the independent and dependent variables of a given PDE system, and their derivatives. In the case of two independent variables, a simple necessary and sufficient condition is presented for the locality of such a potential variable, and this is illustrated by several examples. As a particular example, two-dimensional reductions of equilibrium equations for fluid and plasma dynamics are considered. It is shown that such reductions with respect to helical, axial, and translational symmetries have conservation laws which yield local potential variables. This leads to showing that the well-known Johnson-Frieman-Kruskal-Oberman (JFKO) and Bragg-Hawthorne (Grad-Shafranov) equations are locally related to the corresponding helically and axially symmetric PDE systems of fluid/plasma dynamics. For the axially symmetric case, local symmetry classifications and arising invariant solutions are compared for the original PDE system and the Bragg-Hawthorne (potential) equation. The potential equation is shown to have additional symmetries, denoted as restricted symmetries. Restricted symmetries leave invariant a family of solutions of a given PDE system but not the whole solution manifold, and hence are not symmetries of the given PDE system. Corresponding reductions are shown to yield solutions, which are not obtained as invariant solutions from local symmetry reduction.

  11. Diagnostics of nonlocal plasmas: advanced techniques

    NASA Astrophysics Data System (ADS)

    Mustafaev, Alexander; Grabovskiy, Artiom; Strakhova, Anastasiya; Soukhomlinov, Vladimir

    2014-10-01

    This talk generalizes our recent results, obtained in different directions of plasma diagnostics. First-method of flat single-sided probe, based on expansion of the electron velocity distribution function (EVDF) in series of Legendre polynomials. It will be demonstrated, that flat probe, oriented under different angles with respect to the discharge axis, allow to determine full EVDF in nonlocal plasmas. It is also shown, that cylindrical probe is unable to determine full EVDF. We propose the solution of this problem by combined using the kinetic Boltzmann equation and experimental probe data. Second-magnetic diagnostics. This method is implemented in knudsen diode with surface ionization of atoms (KDSI) and based on measurements of the magnetic characteristics of the KDSI in presence of transverse magnetic field. Using magnetic diagnostics we can investigate the wide range of plasma processes: from scattering cross-sections of electrons to plasma-surface interactions. Third-noncontact diagnostics method for direct measurements of EVDF in remote plasma objects by combination of the flat single-sided probe technique and magnetic polarization Hanley method.

  12. Nonlocal theory and finite element modeling of nano-composites

    NASA Astrophysics Data System (ADS)

    Alvinasab, Ali

    This research is concerned with fundamentals of modeling nano-composites. The study contains two major parts, namely, numerical modeling of nanocomposites and nonlocal theory based approach for predicting behavior of Carbon Nanotubes (CNTs). Computational modeling of glass (silica) fibers having micro-scale outer dimensions and nano-scale internal structures was performed to assess its mechanical behavior. Self-assembly technique was used to synthesize the individual fibers of approximately 5 mum in length with a hexagonal cross-section (2mum between two opposite sides) and honeycomb-like internal nano-structures. These fibers have several potential applications including synthesis of multifunctional composite materials. Numerical modeling of the individual fibers was performed using continuum mechanics based approach wherein linear elastic elements were utilized within a commercial finite element (FE) analysis software. A representative volume element approach was adopted for computational efficiency. Appropriate loads and boundary conditions were used to derive stress-strain relationship (stiffness matrix) which has six independent constants for the individual fiber. Force-displacement relationships under simulated nanoindentation were obtained for the actual fiber (with six independent constants) and under transversely isotropic approximation. The contact problem was solved for the transversely isotropic case, which indicated a much stiffer fiber compared to the FE predictions. This difference is likely due to the geometric nonlinearity considered in FE analysis yielding accurate results for large displacements. The effective mechanical properties of randomly oriented nano-structured glass fiber composite are evaluated by using a continuum mechanics based FE model. The longitudinal and transverse properties of aligned fiber are calculated. Then the equivalent material properties for tilted fiber with different fiber orientations are obtained. Based on equivalent

  13. Non-local magnetoresistance in YIG/Pt nanostructures

    SciTech Connect

    Goennenwein, Sebastian T. B. Pernpeintner, Matthias; Gross, Rudolf; Huebl, Hans; Schlitz, Richard; Ganzhorn, Kathrin; Althammer, Matthias

    2015-10-26

    We study the local and non-local magnetoresistance of thin Pt strips deposited onto yttrium iron garnet. The local magnetoresistive response, inferred from the voltage drop measured along one given Pt strip upon current-biasing it, shows the characteristic magnetization orientation dependence of the spin Hall magnetoresistance. We simultaneously also record the non-local voltage appearing along a second, electrically isolated, Pt strip, separated from the current carrying one by a gap of a few 100 nm. The corresponding non-local magnetoresistance exhibits the symmetry expected for a magnon spin accumulation-driven process, confirming the results recently put forward by Cornelissen et al. [“Long-distance transport of magnon spin information in a magnetic insulator at room temperature,” Nat. Phys. (published online 14 September 2015)]. Our magnetotransport data, taken at a series of different temperatures as a function of magnetic field orientation, rotating the externally applied field in three mutually orthogonal planes, show that the mechanisms behind the spin Hall and the non-local magnetoresistance are qualitatively different. In particular, the non-local magnetoresistance vanishes at liquid Helium temperatures, while the spin Hall magnetoresistance prevails.

  14. Nonlocal dielectric effects in core-shell nanowires.

    SciTech Connect

    McMahon, J. M.; Gray, S. K.; Schatz, G. C.

    2010-01-01

    We study the optical spectra and near fields of core-shell nanowires (nanoshells), using a recently developed finite-difference method that allows for a spatially nonlocal dielectric response. We first analyze the parameters of the nonlocal model by making comparisons with related experimental data and previous theoretical work. We then investigate how nonlocal effects are dependent on nanoshell features, such as shell thickness, overall size, and the ratio of core radius to shell radius. We demonstrate that the shell thickness along the longitudinal direction of the incident light is the primary controlling factor of nonlocal effects, which appear as anomalous absorption resonances and blueshifts in the localized surface plasmon resonance (LSPR) positions, relative to local theory. In addition, we show that the amount of blueshift depends on the order of the LSPR. The optical responses of nanoshells immersed in various refractive index (RI) environments are also studied. We show that the nonlocal anomalous absorption features are relatively insensitive to RI changes, but the blueshift of the dipolar LSPR varies nonlinearly.

  15. Examining the effect of nonlocality in (d ,n ) transfer reactions

    NASA Astrophysics Data System (ADS)

    Ross, A.; Titus, L. J.; Nunes, F. M.

    2016-07-01

    Background: In the past year we have been exploring the effect of the explicit inclusion of nonlocality in (d ,p ) reactions. Purpose: The goal of this paper is to extend previous studies to (d ,n ) reactions, which, although similar to (d ,p ) reactions, have specific properties that merit inspection. Method: We apply our methods (both the distorted-wave Born approximation and the adiabatic wave approximation) to (d ,n ) reactions on 16O,40Ca,48Ca,126Sn,132Sn , and 208Pb at 20 and 50 MeV. Results: We look separately at the modifications introduced by nonlocality in the final bound and scattering states as well as the consequences reflected on the differential angular distributions. The cross sections obtained when using nonlocality explicitly are significantly different than those using the local approximation, just as in (d ,p ) reactions. Due to the particular role of the Coulomb force in the bound state, often we found the effects of nonlocality to be larger in (d ,n ) than in (d ,p ) reactions. Conclusions: Our results confirm the importance of including nonlocality explicitly in deuteron-induced reactions.

  16. Nonlocal regularization of inverse problems: a unified variational framework.

    PubMed

    Yang, Zhili; Jacob, Mathews

    2013-08-01

    We introduce a unifying energy minimization framework for nonlocal regularization of inverse problems. In contrast to the weighted sum of square differences between image pixels used by current schemes, the proposed functional is an unweighted sum of inter-patch distances. We use robust distance metrics that promote the averaging of similar patches, while discouraging the averaging of dissimilar patches. We show that the first iteration of a majorize-minimize algorithm to minimize the proposed cost function is similar to current nonlocal methods. The reformulation thus provides a theoretical justification for the heuristic approach of iterating nonlocal schemes, which re-estimate the weights from the current image estimate. Thanks to the reformulation, we now understand that the widely reported alias amplification associated with iterative nonlocal methods are caused by the convergence to local minimum of the nonconvex penalty. We introduce an efficient continuation strategy to overcome this problem. The similarity of the proposed criterion to widely used nonquadratic penalties (e.g., total variation and lp semi-norms) opens the door to the adaptation of fast algorithms developed in the context of compressive sensing; we introduce several novel algorithms to solve the proposed nonlocal optimization problem. Thanks to the unifying framework, these fast algorithms are readily applicable for a large class of distance metrics. PMID:23014745

  17. Local and nonlocal conductance enhancement due to Cooper pair splitting

    NASA Astrophysics Data System (ADS)

    Wei, Jian; Chandrasekhar, V.

    2012-12-01

    Enhanced local conductance due to Andreev reflection is well known for high transparency Normal metal-Superconductor (NS) interface. For low transparency NS junctions, observation of two-electron tunneling contribution (enhanced Andreev reflection) to current was also reported previously. In our recent work [J Wei and V Chandrasekhar, Nat. Phys. 6, 494 (2010)], for a three-terminal Cooper pair splitter geometry, i.e., with two closely placed NS junctions sharing the same S terminal, we were able do a 2D scan of both local and nonlocal differential resistance, since for our ideal tunneling junctions there is little current redistribution (flow from one normal-metal lead to the other via the superconducting lead). In contrast to previous 1D nonlocal resistance measurements, 2D scans clearly show regime with pronounced contribution of the nonlocal processes to both local and nonlocal conductance enhancement. The enhanced local conductance and negative nonlocal resistance are consistent with enhanced Cooper pair splitting, and dynamical Coulomb blockade could be the origin of this enhancement.

  18. Efficient test to demonstrate genuine three particle nonlocality

    NASA Astrophysics Data System (ADS)

    Mukherjee, Kaushiki; Paul, Biswajit; Sarkar, Debasis

    2015-11-01

    According to the studies of genuine tripartite nonlocality in discrete variable quantum systems conducted so far, Svetlichny inequality is considered as the best Bell-type inequality to detect genuine (three way) nonlocality of pure tripartite genuine entangled states. In the present work, we have considered another Bell-type inequality (which has been reported as the 99th facet of NS 2 local polytope in Bancal et al (2013 Phys. Rev. A 88 014102), to reveal genuine tripartite nonlocality of generalized GHZ (Greenberger-Horne-Zeilinger) class and a subclass of extended GHZ class states Acín et al (2000 Phys. Rev. Lett. 85 1560) thereby proving the conjecture given by Bancal et al (2013 Phys. Rev. A 88 014102) for the GGHZ class and the subclass of extended GHZ states. We compare the violation of this inequality with Svetlichny inequality which reveals the efficiency of the former inequality over the latter to demonstrate genuine nonlocality using the above classes of quantum states. Even in some cases discord monogamy score can be used as a better measure of quantum correlation over Svetlichny inequality for those classes of pure states. Besides, the 99th facet inequality is found efficient not only for revealing genuine nonlocal behavior of correlations emerging in systems using pure entangled states but also in some cases of mixed entangled states over Svetlichny inequality and some well known measures of entanglement.

  19. Nonlocal regularization of inverse problems: a unified variational framework

    PubMed Central

    Yang, Zhili; Jacob, Mathews

    2014-01-01

    We introduce a unifying energy minimization framework for nonlocal regularization of inverse problems. In contrast to the weighted sum of square differences between image pixels used by current schemes, the proposed functional is an unweighted sum of inter-patch distances. We use robust distance metrics that promote the averaging of similar patches, while discouraging the averaging of dissimilar patches. We show that the first iteration of a majorize-minimize algorithm to minimize the proposed cost function is similar to current non-local methods. The reformulation thus provides a theoretical justification for the heuristic approach of iterating non-local schemes, which re-estimate the weights from the current image estimate. Thanks to the reformulation, we now understand that the widely reported alias amplification associated with iterative non-local methods are caused by the convergence to local minimum of the nonconvex penalty. We introduce an efficient continuation strategy to overcome this problem. The similarity of the proposed criterion to widely used non-quadratic penalties (eg. total variation and `p semi-norms) opens the door to the adaptation of fast algorithms developed in the context of compressive sensing; we introduce several novel algorithms to solve the proposed non-local optimization problem. Thanks to the unifying framework, these fast algorithms are readily applicable for a large class of distance metrics. PMID:23014745

  20. Nonperturbative embedding for highly nonlocal Hamiltonians

    NASA Astrophysics Data System (ADS)

    Subaşı, Yiǧit; Jarzynski, Christopher

    2016-07-01

    The need for Hamiltonians with many-body interactions arises in various applications of quantum computing. However, interactions beyond two-body are difficult to realize experimentally. Perturbative gadgets were introduced to obtain arbitrary many-body effective interactions using Hamiltonians with at most two-body interactions. Although valid for arbitrary k -body interactions, their use is limited to small k because the strength of interaction is k th order in perturbation theory. In this paper we develop a nonperturbative technique for obtaining effective k -body interactions using Hamiltonians consisting of at most l -body interactions with l nonlocal Hamiltonian. This technique does not suffer from the aforementioned shortcoming of perturbative methods and requires only one ancilla qubit for each k -body interaction irrespective of the value of k . It works best for Hamiltonians with a few many-body interactions involving a large number of qubits and can be used together with perturbative gadgets to embed Hamiltonians of considerable complexity in proper subspaces of two-local Hamiltonians. We describe how our technique can be implemented in a hybrid (gate-based and adiabatic) as well as solely adiabatic quantum computing scheme.