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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. 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.

  3. 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.

  4. Trail-Needs pseudopotentials in quantum Monte Carlo calculations with plane-wave/blip basis sets

    NASA Astrophysics Data System (ADS)

    Drummond, N. D.; Trail, J. R.; Needs, R. J.

    2016-10-01

    We report a systematic analysis of the performance of a widely used set of Dirac-Fock pseudopotentials for quantum Monte Carlo (QMC) calculations. We study each atom in the periodic table from hydrogen (Z =1 ) to mercury (Z =80 ), with the exception of the 4 f elements (57 ≤Z ≤70 ). We demonstrate that ghost states are a potentially serious problem when plane-wave basis sets are used in density functional theory (DFT) orbital-generation calculations, but that this problem can be almost entirely eliminated by choosing the s channel to be local in the DFT calculation; the d channel can then be chosen to be local in subsequent QMC calculations, which generally leads to more accurate results. We investigate the achievable energy variance per electron with different levels of trial wave function and we determine appropriate plane-wave cutoff energies for DFT calculations for each pseudopotential. We demonstrate that the so-called "T-move" scheme in diffusion Monte Carlo is essential for many elements. We investigate the optimal choice of spherical integration rule for pseudopotential projectors in QMC calculations. The information reported here will prove crucial in the planning and execution of QMC projects involving beyond-first-row elements.

  5. 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).

  6. Self-interaction corrected LDA + U investigations of BiFeO3 properties: plane-wave pseudopotential method

    NASA Astrophysics Data System (ADS)

    Yaakob, M. K.; Taib, M. F. M.; Lu, L.; Hassan, O. H.; Yahya, M. Z. A.

    2015-11-01

    The structural, electronic, elastic, and optical properties of BiFeO3 were investigated using the first-principles calculation based on the local density approximation plus U (LDA + U) method in the frame of plane-wave pseudopotential density functional theory. The application of self-interaction corrected LDA + U method improved the accuracy of the calculated properties. Results of structural, electronic, elastic, and optical properties of BiFeO3, calculated using the LDA + U method were in good agreement with other calculation and experimental data; the optimized choice of on-site Coulomb repulsion U was 3 eV for the treatment of strong electronic localized Fe 3d electrons. Based on the calculated band structure and density of states, the on-site Coulomb repulsion U had a significant effect on the hybridized O 2p and Fe 3d states at the valence and the conduction band. Moreover, the elastic stiffness tensor, the longitudinal and shear wave velocities, bulk modulus, Poisson’s ratio, and the Debye temperature were calculated for U = 0, 3, and 6 eV. The elastic stiffness tensor, bulk modulus, sound velocities, and Debye temperature of BiFeO3 consistently decreased with the increase of the U value.

  7. Searching for stable Si(n)C(n) clusters: combination of stochastic potential surface search and pseudopotential plane-wave Car-Parinello simulated annealing simulations.

    PubMed

    Duan, Xiaofeng F; Burggraf, Larry W; Huang, Lingyu

    2013-07-22

    To find low energy Si(n)C(n) structures out of hundreds to thousands of isomers we have developed a general method to search for stable isomeric structures that combines Stochastic Potential Surface Search and Pseudopotential Plane-Wave Density Functional Theory Car-Parinello Molecular Dynamics simulated annealing (PSPW-CPMD-SA). We enhanced the Sunders stochastic search method to generate random cluster structures used as seed structures for PSPW-CPMD-SA simulations. This method ensures that each SA simulation samples a different potential surface region to find the regional minimum structure. By iterations of this automated, parallel process on a high performance computer we located hundreds to more than a thousand stable isomers for each Si(n)C(n) cluster. Among these, five to 10 of the lowest energy isomers were further optimized using B3LYP/cc-pVTZ method. We applied this method to Si(n)C(n) (n = 4-12) clusters and found the lowest energy structures, most not previously reported. By analyzing the bonding patterns of low energy structures of each Si(n)C(n) cluster, we observed that carbon segregations tend to form condensed conjugated rings while Si connects to unsaturated bonds at the periphery of the carbon segregation as single atoms or clusters when n is small and when n is large a silicon network spans over the carbon segregation region.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. Augmented-plane-wave forces

    NASA Astrophysics Data System (ADS)

    Soler, José M.; Williams, Arthur R.

    1990-11-01

    Results are presented that demonstrate the effectiveness of a calculational method of electronic-structure theory. The method combines the power (tractable basis-set size) and flexibility (transition and first-row elements) of the augmented-plane-wave method with the computational efficiency of the Car-Parrinello method of molecular dynamics and total-energy minimization. Equilibrium geometry and vibrational frequencies in agreement with experiment are presented for Si, to demonstrate agreement with existing methods and for Cu, N2, and H2O to demonstrate the broader applicability of the approach.

  13. 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

  14. Causal inheritence in plane wave quotients

    SciTech Connect

    Hubeny, Veronika E.; Rangamani, Mukund; Ross, Simon F.

    2003-11-24

    We investigate the appearance of closed timelike curves in quotients of plane waves along spacelike isometries. First we formulate a necessary and sufficient condition for a quotient of a general spacetime to preserve stable causality. We explicitly show that the plane waves are stably causal; in passing, we observe that some pp-waves are not even distinguishing. We then consider the classification of all quotients of the maximally supersymmetric ten-dimensional plane wave under a spacelike isometry, and show that the quotient will lead to closed timelike curves iff the isometry involves a translation along the u direction. The appearance of these closed timelike curves is thus connected to the special properties of the light cones in plane wave spacetimes. We show that all other quotients preserve stable causality.

  15. 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.

  16. 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)

  17. Plane wave reflection at flow intakes

    NASA Astrophysics Data System (ADS)

    Davies, P. O. A. L.

    1987-06-01

    A treatment is presented for prediction of the acoustic field associated with an open duct termination whose inflow is at a mean Mach number, and requires a quantitative description of both the acoustic and flow conditions in the vicinity of the open end. This problem is presently simplified by restricting the acoustic field within the duct to plane wave motion, with component wave amplitudes p(+) and p(-), where p(+) is incident at the termination. A 'vena contracta' develops in the pipe just downstream of the intake, leading to a significant mean pressure loss.

  18. Blackfolds, plane waves and minimal surfaces

    NASA Astrophysics Data System (ADS)

    Armas, Jay; Blau, Matthias

    2015-07-01

    Minimal surfaces in Euclidean space provide examples of possible non-compact horizon geometries and topologies in asymptotically flat space-time. On the other hand, the existence of limiting surfaces in the space-time provides a simple mechanism for making these configurations compact. Limiting surfaces appear naturally in a given space-time by making minimal surfaces rotate but they are also inherent to plane wave or de Sitter space-times in which case minimal surfaces can be static and compact. We use the blackfold approach in order to scan for possible black hole horizon geometries and topologies in asymptotically flat, plane wave and de Sitter space-times. In the process we uncover several new configurations, such as black helicoids and catenoids, some of which have an asymptotically flat counterpart. In particular, we find that the ultraspinning regime of singly-spinning Myers-Perry black holes, described in terms of the simplest minimal surface (the plane), can be obtained as a limit of a black helicoid, suggesting that these two families of black holes are connected. We also show that minimal surfaces embedded in spheres rather than Euclidean space can be used to construct static compact horizons in asymptotically de Sitter space-times.

  19. 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.

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

    SciTech Connect

    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 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 compare well with the findings of previous QMC studies and benchmark quantum chemical calculations.

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

    DOE PAGES

    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

  2. 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.

  3. 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.

  4. 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.

  5. Colliding plane waves in F(R)=RN gravity

    NASA Astrophysics Data System (ADS)

    Tahamtan, T.; Halilsoy, M.; Habib Mazharimousavi, S.

    2016-10-01

    We identify a region of a specific F( R)= R N gravity solution without external sources which is isometric to the spacetime of colliding plane waves (CPW). The analogy renders construction and collision of plane waves in F( R)= R N gravity possible. The geometry of the interaction region is equivalent to the Reissner-Nordström (RN) one, however there is no Einstein-Maxwell (EM) source --this is made possible by using the model of RN gravity and the parameter N>1 creates the source. For N=1, we naturally recover the plane waves (and their collision) in Einstein's theory.

  6. Pseudopotentials from electron density

    NASA Astrophysics Data System (ADS)

    Nagy, Á.; Andrejkovics, I.

    1996-05-01

    A method is introduced that allows the construction of pseudopotentials in the density-functional theory. This method is based on a procedure worked out by one of the authors [J. Phys. B 26, 43 (1993); Philos. Mag. B 69, 779 (1994)] for determining Kohn-Sham potentials, one-electron orbitals, and energies from the electron density. The Hartree-Fock densities of Bunge, Barrientos, and Bunge [At. Data Nucl. Data Tables 53, 114 (1993)] are used to obtain the Kohn-Sham potentials of the Li, Na, and K atoms, and then Phillips-Kleinman-type [Phys. Rev. 116, 287 (1959); 118, 1153 (1960)] pseudopotentials are calculated. The arbitrariness of the pseudo-orbital is removed by minimization of the kinetic energy.

  7. Distorted Plane Waves on Manifolds of Nonpositive Curvature

    NASA Astrophysics Data System (ADS)

    Ingremeau, Maxime

    2017-03-01

    We will consider the high frequency behaviour of distorted plane waves on manifolds of nonpositive curvature which are Euclidean or hyperbolic near infinity, under the assumption that the curvature is negative close to the trapped set of the geodesic flow and that the topological pressure associated to half the unstable Jacobian is negative. We obtain a precise expression for distorted plane waves in the high frequency limit, similar to the one in Guillarmou and Naud (Am J Math 136:445-479, 2014) in the case of convex co-compact manifolds. In particular, we will show {L_{loc}^∞} bounds on distorted plane waves that are uniform with frequency. We will also show a small-scale equidistribution result for the real part of distorted plane waves, which implies sharp bounds for the volume of their nodal sets.

  8. Coded excitation plane wave imaging for shear wave motion detection.

    PubMed

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

    2015-07-01

    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 SNR compared with 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 to 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.

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

    PubMed

    Miceli, Giacomo; Hutter, Jürg; Pasquarello, Alfredo

    2016-08-09

    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.

  10. Simple plane wave implementation for photonic crystal calculations.

    PubMed

    Guo, Shangping; Albin, Sacharia

    2003-01-27

    A simple implementation of plane wave method is presented for modeling photonic crystals with arbitrary shaped 'atoms'. The Fourier transform for a single 'atom' is first calculated either by analytical Fourier transform or numerical FFT, then the shift property is used to obtain the Fourier transform for any arbitrary supercell consisting of a finite number of 'atoms'. To ensure accurate results, generally, two iterating processes including the plane wave iteration and grid resolution iteration must converge. Analysis shows that using analytical Fourier transform when available can improve accuracy and avoid the grid resolution iteration. It converges to the accurate results quickly using a small number of plane waves. Coordinate conversion is used to treat non-orthogonal unit cell with non-regular 'atom' and then is treated by standard numerical FFT. MATLAB source code for the implementation requires about less than 150 statements, and is freely available at http://www.lions.odu.edu/~sguox002.

  11. Fully converged plane-wave-based self-consistent G W calculations of periodic solids

    NASA Astrophysics Data System (ADS)

    Cao, Huawei; Yu, Zhongyuan; Lu, Pengfei; Wang, Lin-Wang

    2017-01-01

    The G W approximation is a well-known method to obtain the quasiparticle and spectral properties of systems ranging from molecules to solids. In practice, G W calculations are often employed with many different approximations and truncations. In this work, we describe the implementation of a fully self-consistent G W approach based on the solution of the Dyson equation using a plane wave basis set. Algorithmic, numerical, and technical details of the self-consistent G W approach are presented. The fully self-consistent G W calculations are performed for GaAs, ZnO, and CdS including semicores in the pseudopotentials. No further approximations and truncations apart from the truncation on the plane wave basis set are made in our implementation of the G W calculation. After adopting a special potential technique, a ˜100 Ry energy cutoff can be used without the loss of accuracy. We found that the self-consistent G W (sc-G W ) significantly overestimates the bulk band gaps, and this overestimation is likely due to the underestimation of the macroscopic dielectric constants. On the other hand, the sc-G W accurately predicts the d -state positions, most likely because the d -state screening does not sensitively depend on the macroscopic dielectric constant. Our work indicates the need to include the high-order vertex term in order for the many-body perturbation theory to accurately predict the semiconductor band gaps. It also sheds some light on why, in some cases, the G0W0 bulk calculation is more accurate than the fully self-consistent G W calculation, because the initial density-functional theory has a better dielectric constant compared to experiments.

  12. 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…

  13. 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.

  14. Metaphysics of colliding self-gravitating plane waves

    NASA Astrophysics Data System (ADS)

    Matzner, Richard A.; Tipler, Frank J.

    1984-04-01

    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.

  15. Plane wave (curl; Ω) conforming finite elements for Maxwell's equations

    NASA Astrophysics Data System (ADS)

    Ledger, P. D.; Morgan, K.; Hassan, O.; Weatherill, N. P.

    This paper proposes a discretisation of Maxwell's equations which combines the popular edge elements of Nédélec with expansions of plane waves. The method is applied to simple two dimensional electromagnetic wave propagation and scattering simulations and issues of accuracy and matrix conditioning are investigated.

  16. D-branes in Type IIB plane wave background

    SciTech Connect

    Lee, Bum-Hoon

    2007-01-12

    We classify and summarize the intersecting supersymmetric D-branes in the type IIB plane wave background, based on the Green-Schwarz superstring formulation. Many new configurations appears if we turn on the electric or magnetic background fields or boost the D-branes. Applications to the phenomelogical models are left for further study.

  17. 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.

  18. 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

  19. Plane Waves in a Transparent Isotropic Chiral Medium

    NASA Astrophysics Data System (ADS)

    Fisanov, V. V.

    2015-04-01

    A homogeneous isotropic transparent chiral medium supports two normal plane waves with left and right circular polarization and differently valued positive wave numbers. The presence or absence of forward and backward Beltrami waves and their helicity are regulated by the signs of the permittivity and permeability and the strength of the chirality. The ray refractive index is a universal parameter whose sign differentiates the forward and backward waves.

  20. 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.

  1. Scattering of a CW plane wave by a pulse

    NASA Astrophysics Data System (ADS)

    Trivett, D. H.; Rogers, P. H.

    1982-05-01

    A procedure similar to the CW crossed-beam calculation of Ingard and Pridmore-Brown (1956) is used to calculate the far field scattered sound pressure of a pulse interacting with a plane wave. The scattered sound is found to be at neither the sum nor the difference frequency. It is suggested that this type of interaction is ideal for investigating the scattering of sound by sound, and a numerical solution is used to discuss the general features of the nearfield waveform.

  2. 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

    2014-03-03

    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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. A computationally efficient exact pseudopotential method. I. Analytic reformulation of the Phillips-Kleinman theory.

    PubMed

    Smallwood, C Jay; Larsen, Ross E; Glover, William J; Schwartz, Benjamin J

    2006-08-21

    Even with modern computers, it is still not possible to solve the Schrodinger equation exactly for systems with more than a handful of electrons. For many systems, the deeply bound core electrons serve merely as placeholders and only a few valence electrons participate in the chemical process of interest. Pseudopotential theory takes advantage of this fact to reduce the dimensionality of a multielectron chemical problem: the Schrodinger equation is solved only for the valence electrons, and the effects of the core electrons are included implicitly via an extra term in the Hamiltonian known as the pseudopotential. Phillips and Kleinman (PK) [Phys. Rev. 116, 287 (1959)]. demonstrated that it is possible to derive a pseudopotential that guarantees that the valence electron wave function is orthogonal to the (implicitly included) core electron wave functions. The PK theory, however, is expensive to implement since the pseudopotential is nonlocal and its computation involves iterative evaluation of the full Hamiltonian. In this paper, we present an analytically exact reformulation of the PK pseudopotential theory. Our reformulation has the advantage that it greatly simplifies the expressions that need to be evaluated during the iterative determination of the pseudopotential, greatly increasing the computational efficiency. We demonstrate our new formalism by calculating the pseudopotential for the 3s valence electron of the Na atom, and in the subsequent paper, we show that pseudopotentials for molecules as complex as tetrahydrofuran can be calculated with our formalism in only a few seconds. Our reformulation also provides a clear geometric interpretation of how the constraint equations in the PK theory, which are required to obtain a unique solution, are themselves sufficient to calculate the pseudopotential.

  8. Inhomogeneous plane waves and cylindrical waves in anisotropic anelastic media

    NASA Astrophysics Data System (ADS)

    Krebes, E. S.; Le, Lawrence H. T.

    1994-12-01

    In isotropic anelastic media, the phase velocity of an inhomogeneous plane body wave, which is a function of Q and the degree of inhomogeneity gamma, is significantly less than the corresponding homogeneous wave phase velocity typically only if gamma is very large (unless Q is unusually low). Here we investigate inhomogeneous waves in anisotropic anelastic media, where phase velocities are also functions of the direction of phase propagation theta, and find that (1) the low phase velocities can occur at values of gamma which are substantially less than the isotropic values and that they occur over a limited range of oblique directions theta, and (2) for large positive values of gamma, there are ranges of oblique directions theta in which the inhomogeneous waves cannot propagate at all because there is no physically acceptable solution to the dispersion relation. We show examples of how the waves of case 1 can occur in practice and cause a number of anomalous wave propagation effects. The waves of case 2, though, do not arise in practice (they do not correspond to any points on the horizontal slowness plate). We also show that in the decomposition of a cylindrical wave into plane waves, inhomogeneous plane waves occur whose amplitudes grow in the direction of phase propagation and that this direction is away from the receiver to which they are contributing. The energy in these waves does, however, travel toward the receiver, and their amplitudes decay in the direction of energy propagation. We also show that if the commonly used definition for the quality factor in an isotropic medium, Q = -Re(mu)/Im(mu) where mu is a complex modulus, is applied to an anisotropic anelastic medium in order to study absorption anisotropy, a generally unreliable measure of the anelasticity of inhomogeneous wave propagation in a given arbitrary direction is obtained. The more fundamental definition based on energy loss (i.e., 2pi/Q = Delta E/E) should be used in general, and we present

  9. Augmented-plane-wave calculations on small molecules

    SciTech Connect

    Serena, P.A.; Baratoff, A. ); Soler, J.M. )

    1993-07-15

    We have performed [ital ab] [ital initio] calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic structure of molecules, solids, and surfaces. It is based on the local-density approximation (LDA) for exchange and correlation and the nonlinear augmented-plane-wave method. Very accurate atomic forces are obtained directly. This allows for implementation of Car-Parrinello-like techniques to determine simultaneously the self-consistent electron wave functions and the equilibrium atomic positions within an iterative scheme. We find excellent agreement with the best existing LDA-based calculations and remarkable agreement with experiment for the equilibrium geometries, vibrational frequencies, and dipole moments of a wide variety of molecules, including strongly bound homopolar and polar molecules, hydrogen-bound and electron-deficient molecules, and weakly bound alkali and noble-metal dimers, although binding energies are overestimated.

  10. 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.

  11. 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.

  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. 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.

  14. 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.

  15. Tailored complex 3D vortex lattice structures by perturbed multiples of three-plane waves.

    PubMed

    Xavier, Jolly; Vyas, Sunil; Senthilkumaran, Paramasivam; Joseph, Joby

    2012-04-20

    As three-plane waves are the minimum number required for the formation of vortex-embedded lattice structures by plane wave interference, we present our experimental investigation on the formation of complex 3D photonic vortex lattice structures by a designed superposition of multiples of phase-engineered three-plane waves. The unfolding of the generated complex photonic lattice structures with higher order helical phase is realized by perturbing the superposition of a relatively phase-encoded, axially equidistant multiple of three noncoplanar plane waves. Through a programmable spatial light modulator assisted single step fabrication approach, the unfolded 3D vortex lattice structures are experimentally realized, well matched to our computer simulations. The formation of higher order intertwined helices embedded in these 3D spiraling vortex lattice structures by the superposition of the multiples of phase-engineered three-plane waves interference is also studied.

  16. Supersymmetric transformation approach to pseudopotentials in condensed matter physics and bosonic superconductivity in two dimensions

    NASA Astrophysics Data System (ADS)

    Zhu, Wei

    This thesis is divided into two parts. The first part, "Supersymmetric Transformation Approach to Pseudopotentials in Condensed Matter Physics", provides a new method to obtain pseudopotentials, The conventional methods of constructing pseudopotentials based on the spirit of Orthogonalized Plane Wave and Augmented Plane Wave, etc. as well as the modern version of the norm-conserving pseudopotentials through density functional theory are first reviewed. Our new supersymmetric approach is aimed at eliminating some of the disadvantages while retaining in full the advantages such as phase equivalence or norm-conserving properties of the pseudopotentials. Vast amounts of numerical computation can be eliminated as compared to the old methods. Details and examples are given. Part two, "Bosonic Superconductivity in Two Dimensions", describes a theory for high Tc superconductivity aimed at the current cuprates superconductors. The current status of the cuprates is first reviewed. A one-band Hubbard model is used to formulate the interaction among the holes doped into the layered compounds. Tightly bound pairs of size ˜ a few lattice spacings are obtained based on the Antiferromagnetic Background Approximation. They are shown to have the dsb{xsp2-ysp2} symmetry. Such boson-like pairs form the basis of charged boson models. After reviewing the properties of an ideal charged bose gas including a perfect Meissner effect for 3D, and a nearly perfect Meissner effect for 2D, we develop a theory for high Tc superconductivity without interlayer coupling as adapted, on the one hand, from Friedberg-Lee's mixed Boson-Fermion model to 2D and, on the other hand, from May's work on two-dimensional ideal charged bosons. In addition to the critical temperature Tsb{May} for transition to a phase exhibiting a near-perfect Meissner effect, a new transition temperature Tsb{c} depending on the finite area of the system and the temperature-dependent coherence length is introduced. The appearance

  17. Fraunhofer diffraction of the plane wave by a multilevel (quantized) spiral phase plate.

    PubMed

    Kotlyar, Victor V; Kovalev, Alexey A

    2008-01-15

    We obtain an analytical expression in the form of a finite sum of plane waves that describes the paraxial scalar Fraunhofer diffraction of a limited plane wave by a multilevel (quantized) spiral phase plate (SPP) bounded by a polygonal aperture. For several topological charges of the SPP we numerically obtain the minimal number of SPP sectors for which the RMS between the Fraunhofer diffraction patterns for multilevel and continuous SPP does not exceed 2%.

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

    SciTech Connect

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

    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. In conclusion, 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.

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

    DOE PAGES

    Nazarov, Roman; Shulenburger, Luke; Morales, Miguel A.; ...

    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.

  20. All-electron and pseudo-potential studies of structural and electronic properties of Si chains and nanowires

    NASA Astrophysics Data System (ADS)

    Li, Jun; Williamson, Andrew

    2005-03-01

    Recent experimentsootnotetextY. Wu, et.al., Nature 430, 61 (2004); and references therein invoke Si nanowires as promising materials for nanoscale electronic and optical devices. We carried out electronic structure calculations of silicon chains and nanowires, by using both the full-potential linearized augmented plane wave (FLAPW) methodootnotetextE.Wimmer, H.Krakauer, M.Weinert, AJ Freeman, PRB 24, 864 (1981) and the pseudopotential plane wave method. We studied two sets of H-terminated one nanometer silicon wires, one oriented along (001) and the other along(111); both show direct band gaps, with the (111) oriented wires showing a smaller gap (˜2.1 eV) than (001) (˜2.5 eV). This trend differs from that reported in the literature ootnotetextF. Buda, et.al., PRL 69, 1272 (1992); A. M. Saitta, et.al., PRB 53, 1446 (1996), but it is the same in both our all-electron and well converged pseudopotential calculations. We also found that structural relaxations induce different effects on the band structure of differently oriented wires; the band gap change is nearly 0.2 eV between the ideal and relaxed models for (001) while it is negligible for (111) wires.

  1. Nonspherical atomic effective pseudopotentials for surface passivation

    NASA Astrophysics Data System (ADS)

    Karpulevich, Anastasia; Bui, Hanh; Antonov, Denis; Han, Peng; Bester, Gabriel

    2016-11-01

    We present a method to extract accurate pseudopotentials for surface passivants, within the framework of the atomic effective pseudopotential method. We retain the imaginary part of the pseudopotential in the construction procedure. This imaginary component in reciprocal space translates into a nonspherical component in real space. This asphericity allows to model surface dipoles and their ensuing band offsets. We show that these surface effects need to be taken into account to model electronic properties of quantum dots accurately—which requires to go beyond the spherical potential approximation for the passivant/surface atoms. The good level of transferability, without additional computational costs, is demonstrated for Si, CdSe, and InP nanostructures. The results are directly compared to large-scale density functional theory calculations.

  2. Analysis of a photonic nanojet assuming a focused incident beam instead of a plane wave

    NASA Astrophysics Data System (ADS)

    Dong, Aotuo; Su, Chin

    2014-12-01

    The analysis of a photonic nanojet formed by dielectric spheres almost always assumes that the incident field is a plane wave. In this work, using vector spherical harmonics representations, we analyze the case of a more realistic incident field consisting of a focused beam formed by a microscope objective. Also included is the situation in which the sphere is not at the focal plane of the focus beam. We find that the dimension of the nanojet beam waist is less sensitive with respect to the azimuthal angle when compared with the plane wave case. Also, by shifting the particle away from the focal plane, the nanojet beam waist can be positioned outside the particle which otherwise would be inside or at the particle surface. Inherently, no such adjustment is possible with an incident plane wave assumption.

  3. Modeling bulk and surface Pt using the "Gaussian and plane wave" density functional theory formalism: validation and comparison to k-point plane wave calculations.

    PubMed

    Santarossa, Gianluca; Vargas, Angelo; Iannuzzi, Marcella; Pignedoli, Carlo A; Passerone, Daniele; Baiker, Alfons

    2008-12-21

    We present a study on structural and electronic properties of bulk platinum and the two surfaces (111) and (100) comparing the Gaussian and plane wave method to standard plane wave schemes, normally employed for density functional theory calculations on metallic systems. The aim of this investigation is the assessment of methods based on the expansion of the Kohn-Sham orbitals into localized basis sets and on the supercell approach, in the description of the metallicity of Pt. Electronic structure calculations performed at Gamma-point only on supercells of different sizes, from 108 up to 864 atoms, are compared to the results obtained for the unit cell of four Pt atoms where the k-point expansion of the wave function over Monkhorst-Pack grids up to (10x10x10) has been employed. The evaluation of the two approaches with respect to bulk properties is done through the calculation of the equilibrium lattice constant, the bulk modulus, and the total and the d-projected density of states. For the Pt(111) and Pt(100) surfaces, we consider the relaxation of the first layers, the surface energies, the work function, the total density of states, as well as the center and filling of the d bands. Our results confirm that the accuracy of two approaches in the description of electronic and structural properties of Pt is equivalent, providing that consistent supercells and k-point meshes are used. Moreover, we estimate the supercell size that can be safely adopted in the Gaussian and plane wave method in order to obtain the same reliability of previous theoretical studies based on well converged plane wave calculations available in literature. The latter studies, in turn, set the level of agreement with experimental data. In particular, we obtain excellent agreement in the evaluation of the density of states for either bulk and surface systems, and our data are also in good agreement with previous works on Pt reported in literature. We conclude that Gaussian and plane wave

  4. 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.

  5. Probing the smearing effect by a pointlike graviton in the plane-wave matrix model

    SciTech Connect

    Lee, Bum-Hoon; Nam, Siyoung; Shin, Hyeonjoon

    2010-08-15

    We investigate the interaction between a flat membrane and pointlike graviton in the plane-wave matrix model. The one-loop effective potential in the large-distance limit is computed and is shown to be of r{sup -3} type where r is the distance between two objects. This type of interaction has been interpreted as the one incorporating the smearing effect due to the configuration of a flat membrane in a plane-wave background. Our results support this interpretation and provide more evidence about it.

  6. 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.

  7. Calculation of atomic forces using the linearized-augmented-plane-wave method

    NASA Astrophysics Data System (ADS)

    Krimmel, H. G.; Ehmann, J.; Elsässer, C.; Fähnle, M.; Soler, J. M.

    1994-09-01

    The force formula of Soler and Williams is implemented in the full-potential linearized-augmented-plane-wave program wien93. The feasibility and accuracy of the method is demonstrated by calculations for the H-point phonon in Mo and Li and for the Γ-point phonon in Si and diamond.

  8. Ultrasound plane-wave imaging with delay multiply and sum beamforming and coherent compounding.

    PubMed

    Matrone, Giulia; Savoia, Alessandro S; Caliano, Giosue; Magenes, Giovanni

    2016-08-01

    Improving the frame rate is an important aspect in medical ultrasound imaging, particularly in 3D/4D cardiac applications. However, an accurate trade-off between the higher frame rate and image contrast and resolution should be performed. Plane-Wave Imaging (PWI) can potentially achieve frame rates in the order of 10 kHz, as it uses a single unfocused plane wave (and thus a single transmit event) to acquire the image of the entire region of interest. The lack of transmit focusing however causes a significant drop of image quality, which can be restored by coherently compounding several tilted plane-wave frames, at the expense of the frame rate. PWI together with the use of a beamforming algorithm able to achieve a higher image contrast resolution, such as the Delay Multiply And Sum (DMAS), could thus allow to improve image quality achieving a high frame rate at the same time. This paper presents the first simulation results obtained by employing DMAS beamforming and PWI with different transmission angles and coherent compounding. The simulated Point Spread Function (PSF) and cyst-phantom images show that DMAS makes it possible to achieve a high image quality with a reduced number of compounded frames compared to standard Delay And Sum (DAS), and hence it can be used to improve the contrast and resolution of plane-wave images still achieving a very high frame rate.

  9. 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…

  10. Understanding the power reflection and transmission coefficients of a plane wave at a planar interface

    NASA Astrophysics Data System (ADS)

    Ye, Qian; Jiang, Yikun; Lin, Haoze

    2017-03-01

    In most textbooks, after discussing the partial transmission and reflection of a plane wave at a planar interface, the power (energy) reflection and transmission coefficients are introduced by calculating the normal-to-interface components of the Poynting vectors for the incident, reflected and transmitted waves, separately. Ambiguity arises among students since, for the Poynting vector to be interpreted as the energy flux density, on the incident (reflected) side, the electric and magnetic fields involved must be the total fields, namely, the sum of incident and reflected fields, instead of the partial fields which are just the incident (reflected) fields. The interpretation of the cross product of partial fields as energy flux has not been obviously justified in most textbooks. Besides, the plane wave is actually an idealisation that is only ever found in textbooks, then what do the reflection and transmission coefficients evaluated for a plane wave really mean for a real beam of limited extent? To provide a clearer physical picture, we exemplify a light beam of finite transverse extent by a fundamental Gaussian beam and simulate its reflection and transmission at a planar interface. Due to its finite transverse extent, we can then insert the incident fields or reflected fields as total fields into the expression of the Poynting vector to evaluate the energy flux and then power reflection and transmission coefficients. We demonstrate that the power reflection and transmission coefficients of a beam of finite extent turn out to be the weighted sum of the corresponding coefficients for all constituent plane wave components that form the beam. The power reflection and transmission coefficients of a single plane wave serve, in turn, as the asymptotes for the corresponding coefficients of a light beam as its width expands infinitely.

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

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

    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.

  12. Spread-Spectrum Beamforming and Clutter Filtering for Plane-Wave Color Doppler Imaging.

    PubMed

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

    2016-07-21

    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 images from different plane wave tilt angles are compounded to form a single high-resolution image, thereby reducing the frame rate. Compounding improves the lateral beam profile in the high-resolution image, but it also acts as a low-pass filter in slow time that causes attenuation and aliasing of signals with high Doppler shifts. This paper introduces a spread-spectrum color Doppler imaging method that produces high-resolution images without the use of compounding, thereby eliminating the tradeoff between beam quality, maximum unaliased Doppler frequency, and frame rate. The method uses a long, random sequence of transmit angles rather than a linear sweep of plane wave directions. The random angle sequence randomizes the phase of off-focus (clutter) signals, thereby spreading the clutter power in the Doppler spectrum, while keeping the spectrum of the in-focus signal intact. The ensemble of randomly tilted low-resolution frames also acts as the Doppler ensemble, so it can be much longer than a conventional linear sweep, thereby improving beam formation while also making the slow-time Doppler sampling frequency equal to the pulse repetition frequency. Experiments performed using a carotid artery phantom with constant flow demonstrate that the spread-spectrum method more accurately measures the parabolic flow profile of the vessel and outperforms conventional plane-wave Doppler in both contrast resolution and estimation of high flow velocities. The spread-spectrum method is expected to be valuable for Doppler applications that require measurement of high velocities at high frame rates.

  13. 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.

  14. In situ technique for measuring the orthogonality of a plane wave to a substrate.

    PubMed

    Châteauneuf, Marc; Ayliffe, Michael H; Kirk, Andrew G

    2003-05-01

    A new compact in situ method of measuring the perpendicularity of a plane wave to a substrate is proposed. Off-axis cylindrical Fresnel lenses are used to focus a portion of the incident plane wave onto target lines. The displacement of the focal line from the targets is determined by the degree of angular misalignment. The proposed design has been incorporated into a 10-mm-thick fused-silica module, which enables us to obtain an alignment precision of better than 0.0083 degrees. This method is designed for use in optical assembly procedures that require an incident collimated beam that is normal to the alignment features. Experimental results are presented.

  15. A solution for TM-mode plane waves incident on a two-dimensional inhomogeneity

    SciTech Connect

    Lee, K. H.; Morrison, H. F.

    1985-07-01

    A solution for the electromagnetic fields scattered from a two-dimensional inhomogeneity in a conducting half space has been obtained for an incident TM mode plane wave; the magnetic field is polarized parallel to the strike of the inhomogeneity. The approach has been to determine the scattering currents within the inhomogeneity using an integral equation for the electric fields. This solution is similar in concept to earlier studies of TE mode scattering from two-dimensional inhomogeneities, and it completes the analysis of the scattering of arbitrary plane waves using the integral equation approach. For simple bodies in the earth integral equation solution offers significant computational advantages over alternate finite element or finite difference methods of solution.

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

    SciTech Connect

    Imbert-Gérard, Lise-Marie

    2015-12-15

    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.

  17. 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.

  18. Density functional calculations of Pd nanoparticles using a plane-wave method.

    PubMed

    Viñes, Francesc; Illas, Francesc; Neyman, Konstantin M

    2008-09-25

    We deal with usage of plane-wave density functional calculations of crystallites formed of 100-200 transition metal atoms to mimic larger experimentally treated particles. A series of model Pd clusters containing up to 225 atoms is chosen as an example. We focused on the description of size-dependent geometric parameters and binding energies of these clusters as compared with previous benchmark calculations; evolution of the particle electronic structure with increasing size has also been addressed. The high performance of the plane-wave calculations for transition-metal nanoparticles has been documented. Implications of this work on broadening opportunities to design and study realistic models of catalytic systems are outlined.

  19. Lectures on the plane-wave string/gauge theory duality

    NASA Astrophysics Data System (ADS)

    Plefka, J. C.

    2004-02-01

    These lectures give an introduction to the novel duality relating type IIB string theory in a maximally supersymmetric plane-wave background to = 4, d = 4, U(N) super Yang-Mills theory in a particular large N and large R-charge limit due to Berenstein, Maldacena and Nastase. In the first part of these lectures the duality is derived from the AdS/CFT correspondence by taking a Penrose limit of the AdS5 × S5 geometry and studying the corresponding double-scaling limit on the gauge theory side. The resulting free plane-wave superstring is then quantized in light-cone gauge. On the gauge theory side of the correspondence the composite super Yang-Mills operators dual to string excitations are identified, and it is shown how the string spectrum can be mapped to the planar scaling dimensions of these operators. In the second part of these lectures we study the correspondence at the interacting respectively non-planar level. On the gauge theory side it is demonstrated that the large N large R-charge limit in question preserves contributions from Feynman graphs of all genera through the emergence of a new genus counting parameter - in agreement with the string genus expansion for non-zero gs. Effective quantum mechanical tools to compute higher genus contributions to the scaling dimensions of composite operators are developed and explicitly applied in a genus one computation. We then turn to the interacting string theory side and give an elementary introduction into light-cone superstring field theory in a plane-wave background and point out how the genus one prediction from gauge theory can be reproduced. Finally, we summarize the present status of the plane-wave string/gauge theory duality.

  20. Domain overlap matrices from plane-wave-based methods of electronic structure calculation

    NASA Astrophysics Data System (ADS)

    Golub, Pavlo; Baranov, Alexey I.

    2016-10-01

    Plane waves are one of the most popular and efficient basis sets for electronic structure calculations of solids; however, their delocalized nature makes it difficult to employ for them classical orbital-based methods of chemical bonding analysis. The quantum chemical topology approach, introducing chemical concepts via partitioning of real space into chemically meaningful domains, has no difficulties with plane-wave-based basis sets. Many popular tools employed within this approach, for instance delocalization indices, need overlap integrals over these domains—the elements of the so called domain overlap matrices. This article reports an efficient algorithm for evaluation of domain overlap matrix elements for plane-wave-based calculations as well as evaluation of its implementation for one of the most popular projector augmented wave (PAW) methods on the small set of simple and complex solids. The stability of the obtained results with respect to PAW calculation parameters has been investigated, and the comparison of the results with the results from other calculation methods has also been made.

  1. Traveling Internal Plane-wave Synthesis (TIPS) for uniform B1 in high field MRI.

    PubMed

    Anderson, Adam W

    2017-02-01

    A new target-field approach to generating uniform radio frequency (RF) fields within the human body for high field MRI is described. The method involves producing a set of external fields which, after interaction with a dielectric object, superimpose to produce a traveling plane wave, exposing all spins to the same RF amplitude (B1) over a cycle of the harmonic field. Conceptually this is similar to conventional RF shimming, but uses a different RF source design, input data, and objective function. The method requires a detailed knowledge of the coupling between exterior field modes, produced by an array of RF sources, and field modes within the body. Given an estimate of the coupling matrix, the linear superposition of external modes that produces a desired internal target field can be determined. The new method is termed Traveling Internal Plane-wave Synthesis (TIPS). A simple design of a coil array is described that can, in principle, generate the required field modes. Simulations demonstrate that radio frequency magnetic fields of nearly uniform (<1% variation) magnitude can be produced within dielectric objects larger than a wavelength in size. If the dielectric medium has non-zero conductivity, traveling waves are attenuated as they traverse the object, but field uniformity within planar slices is preserved. For general 3D imaging, a superposition of plane waves can provide field focusing to balance conductive losses, thereby achieving nearly uniform-magnitude B1+ magnetic fields over a volume of interest.

  2. Characteristics of surface sound pressure and absorption of a finite impedance strip for a grazing incident plane wave.

    PubMed

    Sum, K S; Pan, J

    2007-07-01

    Distributions of sound pressure and intensity on the surface of a flat impedance strip flush-mounted on a rigid baffle are studied for a grazing incident plane wave. The distributions are obtained by superimposing the unperturbed wave (the specularly reflected wave as if the strip is rigid plus the incident wave) with the radiated wave from the surface vibration of the strip excited by the unperturbed pressure. The radiated pressure interferes with the unperturbed pressure and distorts the propagating plane wave. When the plane wave propagates in the baffle-strip-baffle direction, it encounters discontinuities in acoustical impedance at the baffle-strip and strip-baffle interfaces. The radiated pressure is highest around the baffle-strip interface, but decreases toward the strip-baffle interface where the plane wave distortion reduces accordingly. As the unperturbed and radiated waves have different magnitudes and superimpose out of phase, the surface pressure and intensity increase across the strip in the plane wave propagation direction. Therefore, the surface absorption of the strip is nonzero and nonuniform. This paper provides an understanding of the surface pressure and intensity behaviors of a finite impedance strip for a grazing incident plane wave, and of how the distributed intensity determines the sound absorption coefficient of the strip.

  3. 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.

  4. Electromagnetic plane-wave pulse transmission into a Lorentz half-space.

    PubMed

    Cartwright, Natalie A

    2011-12-01

    The propagation of an electromagnetic plane-wave signal obliquely incident upon a Lorentz half-space is studied analytically. Time-domain asymptotic expressions that increase in accuracy with propagation distance are derived by application of uniform saddle point methods on the Fourier-Laplace integral representation of the transmitted field. The results are shown to be continuous in time and comparable with numerical calculations of the field. Arrival times and angles of refraction are given for prominent transient pulse features and the steady-state signal.

  5. 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.

  6. Exact soliton-on-plane-wave solutions for two-component Bose-Einstein condensates.

    PubMed

    Li, Lu; Malomed, Boris A; Mihalache, Dumitru; Liu, W M

    2006-06-01

    By means of the Darboux transformation, we obtain analytical solutions for a soliton set on top of a plane-wave background in coupled Gross-Pitaevskii equations describing a binary Bose-Einstein condensate. We consider basic properties of the solutions with and without the cross interaction [cross phase modulation (XPM)] between the two components of the background. In the absence of the XPM, this solutions maintain properties of one-component condensates, such as the modulation instability (MI); in the presence of the cross interaction, the solutions exhibit different properties, such as restriction of the MI and soliton splitting.

  7. Exact soliton-on-plane-wave solutions for two-component Bose-Einstein condensates

    SciTech Connect

    Li Lu; Malomed, Boris A.; Mihalache, Dumitru; Liu, W. M.

    2006-06-15

    By means of the Darboux transformation, we obtain analytical solutions for a soliton set on top of a plane-wave background in coupled Gross-Pitaevskii equations describing a binary Bose-Einstein condensate. We consider basic properties of the solutions with and without the cross interaction [cross phase modulation (XPM)] between the two components of the background. In the absence of the XPM, this solutions maintain properties of one-component condensates, such as the modulation instability (MI); in the presence of the cross interaction, the solutions exhibit different properties, such as restriction of the MI and soliton splitting.

  8. Formation of whispering gallery modes by scattering of an electromagnetic plane wave by two cylinders

    NASA Astrophysics Data System (ADS)

    Abramov, Arnold; Kostikov, Alexander

    2017-03-01

    We report the effect of scattering of electromagnetic plane waves by two cylinders on whispering gallery mode (WGM) formation in a cylinder. WGM can occur because of the presence of additional cylinder scatterers at specific location, while WGMs can only form in a single cylinder for specific cylinder radius and/or wavelength values, the matching accuracy required would be much greater than that required in our model for the additional cylinders locations. Analysis of the general solution to the problem showed that the effect can be explained by the interference of waves scattered by additional cylinders and incident on the main cylinder.

  9. 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.

  10. Optimized Equivalent Staggered-grid FD Method for Elastic Wave Modeling Based on Plane Wave Solutions

    NASA Astrophysics Data System (ADS)

    Yong, Peng; Huang, Jianping; Li, Zhenchun; Liao, Wenyuan; Qu, Luping; Li, Qingyang; Liu, Peijun

    2016-12-01

    In finite difference (FD) method, numerical dispersion is the dominant factor influencing the accuracy of seismic modeling. Various optimized FD schemes for scalar wave modeling have been proposed to reduce grid dispersion, while the optimized time-space domain FD schemes for elastic wave modeling have not been fully investigated yet. In this paper, an optimized FD scheme with Equivalent Staggered Grid (ESG) for elastic modelling has been developed. We start from the constant P- and S-wave speed elastic wave equations and then deduce analytical plane wave solutions in the wavenumber domain with eigenvalue decomposition method. Based on the elastic plane wave solutions, three new time-space domain dispersion relations of ESG elastic modeling are obtained, which are represented by three equations corresponding to P-, S- and converted wave terms in the elastic equations, respectively. By using these new relations, we can study the dispersion errors of different spatial FD terms independently. The dispersion analysis showed that different spatial FD terms have different errors. It is therefore suggested that different FD coefficients to be used to approximate the three spatial derivative terms. In addition, the relative dispersion error in L2-norm is minimized through optimizing FD coefficients using Newton's method. Synthetic examples have demonstrated that this new optimal FD schemes have superior accuracy for elastic wave modeling compared to Taylor-series expansion and optimized space domain FD schemes.

  11. 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.

  12. Geoacoustic inversion in range-dependent ocean environments using a plane wave reflection coefficient approach

    NASA Astrophysics Data System (ADS)

    Stotts, S. A.; Knobles, D. P.; Koch, R. A.; Grant, D. E.; Focke, K. C.; Cook, A. J.

    2004-03-01

    A new, efficient, versatile ray-based model is presented that performs geoacoustic inversions in range-dependent ocean waveguides faster than alternative forward models for which the computation time becomes extremely long, especially for broadband inversions. The water propagation is approximately separated from the seabed interaction using predetermined bathymetry and a possibly range-dependent water sound speed profile. The geometrical optics approximation is used to calculate eigenrays between sources and receivers, including bottom reflecting paths. Modeled broadband pressure fields are obtained by computing the plane wave reflection coefficient at specific angles and frequencies and by then linking this result with the bottom reflected eigenrays. Each perturbation of the seabed requires a recalculation of the plane wave reflection coefficient, but not a recalculation of the eigenrays, resulting in a highly efficient method. Range-independent problems are treated as a limiting case of the approach. The method is first described and then demonstrated with a few simple range-independent theoretical models. The versatility of addressing range-dependence in the bottom seabed is demonstrated with a simulated data set. Finally, the new model is applied to inversion from a measured data set, taken with impulsive sources, for both range-independent and range-dependent continental shelf environments.

  13. 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.

  14. 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.

  15. 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.

  16. Optimized equivalent staggered-grid FD method for elastic wave modelling based on plane wave solutions

    NASA Astrophysics Data System (ADS)

    Yong, Peng; Huang, Jianping; Li, Zhenchun; Liao, Wenyuan; Qu, Luping; Li, Qingyang; Liu, Peijun

    2017-02-01

    In finite-difference (FD) method, numerical dispersion is the dominant factor influencing the accuracy of seismic modelling. Various optimized FD schemes for scalar wave modelling have been proposed to reduce grid dispersion, while the optimized time-space domain FD schemes for elastic wave modelling have not been fully investigated yet. In this paper, an optimized FD scheme with Equivalent Staggered Grid (ESG) for elastic modelling has been developed. We start from the constant P- and S-wave speed elastic wave equations and then deduce analytical plane wave solutions in the wavenumber domain with eigenvalue decomposition method. Based on the elastic plane wave solutions, three new time-space domain dispersion relations of ESG elastic modelling are obtained, which are represented by three equations corresponding to P-, S- and converted-wave terms in the elastic equations, respectively. By using these new relations, we can study the dispersion errors of different spatial FD terms independently. The dispersion analysis showed that different spatial FD terms have different errors. It is therefore suggested that different FD coefficients to be used to approximate the three spatial derivative terms. In addition, the relative dispersion error in L2-norm is minimized through optimizing FD coefficients using Newton's method. Synthetic examples have demonstrated that this new optimal FD schemes have superior accuracy for elastic wave modelling compared to Taylor-series expansion and optimized space domain FD schemes.

  17. Implementation of linear-scaling plane wave density functional theory on parallel computers

    NASA Astrophysics Data System (ADS)

    Skylaris, Chris-Kriton; Haynes, Peter D.; Mostofi, Arash A.; Payne, Mike C.

    We describe the algorithms we have developed for linear-scaling plane wave density functional calculations on parallel computers as implemented in the onetep program. We outline how onetep achieves plane wave accuracy with a computational cost which increases only linearly with the number of atoms by optimising directly the single-particle density matrix expressed in a psinc basis set. We describe in detail the novel algorithms we have developed for computing with the psinc basis set the quantities needed in the evaluation and optimisation of the total energy within our approach. For our parallel computations we use the general Message Passing Interface (MPI) library of subroutines to exchange data between processors. Accordingly, we have developed efficient schemes for distributing data and computational load to processors in a balanced manner. We describe these schemes in detail and in relation to our algorithms for computations with a psinc basis. Results of tests on different materials show that onetep is an efficient parallel code that should be able to take advantage of a wide range of parallel computer architectures.

  18. Concepts and Tradeoffs in Velocity Estimation With Plane-Wave Contrast-Enhanced Doppler.

    PubMed

    Tremblay-Darveau, Charles; Williams, Ross; Sheeran, Paul S; Milot, Laurent; Bruce, Matthew; Burns, Peter N

    2016-11-01

    While long Doppler ensembles are, in principle, beneficial for velocity estimates, short acoustic pulses must be used in microbubble contrast-enhanced (CE) Doppler to mitigate microbubble destruction. This introduces inherent tradeoffs in velocity estimates with autocorrelators, which are studied here. A model of the autocorrelation function adapted to the microbubble Doppler signal accounting for transit time, the echo frequency uncertainty, and contrast-agent destruction is derived and validated in vitro. It is further demonstrated that a local measurement of the center frequency of the microbubble echo is essential in order to avoid significant bias in velocity estimates arising from the linear and nonlinear frequency-dependent scattering of microbubbles and compensate for the inherent speckle nature of the received echo frequency. For these reasons, broadband Doppler estimators (2-D autocorrelator and Radon projection) are better suited than simpler narrow-band estimators (1-D autocorrelator and 1-D Fourier transform) for CE flow assessment. A case study of perfusion in a VX-2 carcinoma using CE plane-wave Doppler is also shown. We demonstrate that even when considering all uncertainties associated with microbubble-related decorrelation (destruction, pulse bandwidth, transit time, and flow gradient) and the need for real-time imaging, a coefficient of variation of 4% on the axial velocity is achievable with plane-wave imaging.

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. Quartic scaling MP2 for solids: A highly parallelized algorithm in the plane wave basis

    NASA Astrophysics Data System (ADS)

    Schäfer, Tobias; Ramberger, Benjamin; Kresse, Georg

    2017-03-01

    We present a low-complexity algorithm to calculate the correlation energy of periodic systems in second-order Møller-Plesset (MP2) perturbation theory. In contrast to previous approximation-free MP2 codes, our implementation possesses a quartic scaling, O ( N 4 ) , with respect to the system size N and offers an almost ideal parallelization efficiency. The general issue that the correlation energy converges slowly with the number of basis functions is eased by an internal basis set extrapolation. The key concept to reduce the scaling is to eliminate all summations over virtual orbitals which can be elegantly achieved in the Laplace transformed MP2 formulation using plane wave basis sets and fast Fourier transforms. Analogously, this approach could allow us to calculate second order screened exchange as well as particle-hole ladder diagrams with a similar low complexity. Hence, the presented method can be considered as a step towards systematically improved correlation energies.

  4. 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.

  5. 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.

  6. 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.

  7. TM Plane Wave Reflection and Transmission from a One-Dimensional Random Slab

    NASA Astrophysics Data System (ADS)

    Tamura, Yasuhiko

    This paper deals with a TM plane wave reflection and transmission from a one-dimensional random slab with stratified fluctuation by means of the stochastic functional approach. Based on a previous manner [IEICE Trans. Electron. E88-C, 4, pp. 713-720, 2005], an explicit form of the random wavefield is obtained in terms of a Wiener-Hermite expansion with approximate expansion coefficients (Wiener kernels) under small fluctuation. The optical theorem and coherent reflection coefficient are illustrated in figures for several physical parameters. It is then found that the optical theorem by use of the first two or three order Wiener kernels holds with good accuracy and a shift of Brewster's angle appears in the coherent reflection.

  8. 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

  9. Space-time analogy for partially coherent plane-wave-type pulses.

    PubMed

    Lancis, Jesús; Torres-Company, Víctor; Silvestre, Enrique; Andrés, Pedro

    2005-11-15

    In this Letter we extend the well-known space-time duality to partially coherent wave fields and, as a limit case, to incoherent sources. We show that there is a general analogy between the paraxial diffraction of quasi-monochromatic beams of limited spatial coherence and the temporal distortion of partially coherent plane-wave pulses in parabolic dispersive media. Next, coherence-dependent effects in the propagation of Gaussian Schell-model pulses are retrieved from that of their spatial counterpart, the Gaussian Schell-model beam. Finally, the last result allows us to present a source linewidth analysis in an optical fiber communication system operating around the 1.55 microm wavelength window.

  10. Reflection and refraction properties of plane waves on the interface of uniaxially anisotropic chiral media.

    PubMed

    Cheng, Qiang; Cui, Tie Jun

    2006-12-01

    We have investigated the reflection and refraction properties of plane waves incident from free space into a uniaxially anisotropic chiral medium, where the chirality appears only in one direction and the host medium can be either an isotropic dielectric or an anisotropic electric plasma. We show that the reflection and refraction properties are closely related to the dispersion relation of the chiral medium and that negative phase refractions and/or negative group refractions may occur. We further demonstrate that the two eigenwaves within the uniaxially anisotropic chiral medium behave differently with respect to the incident angle, and in some cases only one of them can be supported and transmitted. We have studied the critical angle and Brewster's angle with some special properties. We have also discussed the potential application of the uniaxially anisotropic chiral medium for the polarization beam splitter. Numerical results are given to validate our analysis.

  11. On the scattering of an acoustic plane wave by a soft prolate spheroid

    NASA Astrophysics Data System (ADS)

    Borromeo, Joseph Michael

    This thesis solves the scattering problem in which an acoustic plane wave of propagation number K1 is scattered by a soft prolate spheroid. The interior field of the scatterer is characterized by a propagation number K2, while the field radiated by the scatterer is characterized by the propagation number K3. The three fields and their normal derivatives satisfy boundary conditions at the surface of the scatterer. These boundary conditions involve six complex parameters depending on the propagation numbers. The scattered wave also satisfies the Sommerfeld radiation condition at infinity. Through analytical methods, series representations are constructed for the interior field and scattered field for an arbitrary sphere and a prolate spheroid. In addition, results for the reciprocity relations and Energy theorem are derived. Application to detection of whales and submarines are discussed, as well as classification of fish, squid and zoo plankton. In general Ref[ ] is used for reference and the work is done in three dimensions.

  12. The scattering of obliquely incident plane waves from a corrugated conducting surface

    NASA Technical Reports Server (NTRS)

    Le Vine, D. M.

    1976-01-01

    A physical optics solution is presented for the scattering of plane waves from a perfectly conducting corrugated surface in the case of waves incident from an arbitrary direction and for an observer far from the surface. This solution is used to compute the radar cross section of the surface in the case of backscatter from irregular (i.e., stochastic) corrugations. An interesting feature of the solution is the occurrence of singularities in the scattered fields. These singularities appear to be a manifestation of focusing by the surface at its 'stationary' points. Whether or not the singularities occur in the solution depends on the manner in which one restricts the analysis to the far-field.

  13. An efficient algorithm for time propagation as applied to linearized augmented plane wave method

    NASA Astrophysics Data System (ADS)

    Dewhurst, J. K.; Krieger, K.; Sharma, S.; Gross, E. K. U.

    2016-12-01

    An algorithm for time propagation of the time-dependent Kohn-Sham equations is presented. The algorithm is based on dividing the Hamiltonian into small time steps and assuming that it is constant over these steps. This allows for the time-propagating Kohn-Sham wave function to be expanded in the instantaneous eigenstates of the Hamiltonian. The method is particularly efficient for basis sets which allow for a full diagonalization of the Hamiltonian matrix. One such basis is the linearized augmented plane waves. In this case we find it is sufficient to perform the evolution as a second-variational step alone, so long as sufficient number of first variational states are used. The algorithm is tested not just for non-magnetic but also for fully non-collinear magnetic systems. We show that even for delicate properties, like the magnetization density, fairly large time-step sizes can be used demonstrating the stability and efficiency of the algorithm.

  14. 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.

  15. Nonlocal cosmology.

    PubMed

    Deser, S; Woodard, R P

    2007-09-14

    We explore nonlocally modified models of gravity, inspired by quantum loop corrections, as a mechanism for explaining current cosmic acceleration. These theories enjoy two major advantages: they allow a delayed response to cosmic events, here the transition from radiation to matter dominance, and they avoid the usual level of fine-tuning; instead, emulating Dirac's dictum, the required large numbers come from the large time scales involved. Their solar system effects are safely negligible, and they may even prove useful to the black hole information problem.

  16. 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.

  17. The strain in the array is mainly in the plane (waves below ~1 Hz)

    USGS Publications Warehouse

    Gomberg, J.; Pavlis, G.; Bodin, P.

    1999-01-01

    We compare geodetic and single-station methods of measuring dynamic deformations and characterize their causes in the frequency bands 0.5-1.0 Hz and 4.0-8.0 Hz. The geodetic approach utilizes data from small-aperture seismic arrays, applying techniques from geodesy. It requires relatively few assumptions and a priori information. The single-station method uses ground velocities recorded at isolated or single stations and assumes all the deformation is due to plane-wave propagation. It also requires knowledge of the azimuth and horizontal velocity of waves arriving at the recording station. Data employed come from a small-aperture, dense seismic array deployed in Geyokcha, Turkmenistan, and include seismograms recorded by broadband STS2 and short-period L28 sensors. Poor agreement between geodetic and single-station estimates in the 4.0-8.0 Hz passband indicates that the displacement field may vary nonlinearly with distance over distances of ~50 m. STS2 geodetic estimates provide a robust standard in the 0.5-1.0 Hz passband because they appear to be computationally stable and require fewer assumptions than single-station estimates. The agreement between STS2 geodetic estimates and single-station L28 estimates is surprisingly good for the S-wave and early surface waves, suggesting that the single-station analysis should be useful with commonly available data. These results indicate that, in the 0.5 to 1.0 Hz passband, the primary source of dynamic deformation is plane-wave propagation along great-circle source-receiver paths. For later arriving energy, the effects of scattering become important. The local structure beneath the array exerts a strong control on the geometry of the dynamic deformation, implying that it may be difficult to infer source characteristics of modern or paleoearthquakes from indicators of dynamic deformations. However, strong site control also suggests that the dynamic deformations may be predictable, which would be useful for engineering

  18. Singularity Correction for Long-Range-Corrected Density Functional Theory with Plane-Wave Basis Sets.

    PubMed

    Kawashima, Yukio; Hirao, Kimihiko

    2017-03-09

    We introduced two methods to correct the singularity in the calculation of long-range Hartree-Fock (HF) exchange for long-range-corrected density functional theory (LC-DFT) calculations in plane-wave basis sets. The first method introduces an auxiliary function to cancel out the singularity. The second method introduces a truncated long-range Coulomb potential, which has no singularity. We assessed the introduced methods using the LC-BLYP functional by applying it to isolated systems of naphthalene and pyridine. We first compared the total energies and the HOMO energies of the singularity-corrected and uncorrected calculations and confirmed that singularity correction is essential for LC-DFT calculations using plane-wave basis sets. The LC-DFT calculation results converged rapidly with respect to the cell size as the other functionals, and their results were in good agreement with the calculated results obtained using Gaussian basis sets. LC-DFT succeeded in obtaining accurate orbital energies and excitation energies. We next applied LC-DFT with singularity correction methods to the electronic structure calculations of the extended systems, Si and SiC. We confirmed that singularity correction is important for calculations of extended systems as well. The calculation results of the valence and conduction bands by LC-BLYP showed good convergence with respect to the number of k points sampled. The introduced methods succeeded in overcoming the singularity problem in HF exchange calculation. We investigated the effect of the singularity correction on the excitation state calculation and found that careful treatment of the singularities is required compared to ground-state calculations. We finally examined the excitonic effect on the band gap of the extended systems. We calculated the excitation energies to the first excited state of the extended systems using a supercell model at the Γ point and found that the excitonic binding energy, supposed to be small for

  19. 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

  20. 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

  1. Million Atom Pseudopotential Manybody Theory of Electronic Structure and Spectroscopy of Semiconductor Quantum Dots

    NASA Astrophysics Data System (ADS)

    Zunger, Alex

    2003-03-01

    Semiconductor Quantum Dots that are of sufficient structural quality (good crystallinity, surface passivation, size uniformity) to produce ultra sharp spectroscopic lines worthy of a detailed theoretical effort tend to be rather BIG, containing thousands to million atoms. Yet, in this size regime, the only theoretical methods available are effective-mass based, particle-in-a-box approaches, that neglect multi-band and inter-valley coupling, leading to significant qualitative errors.(A. Zunger,Phys. Stat. Sol. (a) 190), 467 (2002). While LDA-based methods are capable of solving the Single-Particle problem even for ˜1,000 atom dots, the all important many-body problem can be currently addressed only for considerably smaller dots. I will present here a computational alternative which addresses both the single-particle and the Manybody parts of the problem for 10^3 to 10^6 atom dots .The method is applicable both to ``free Standing" (e.g. colloidal) dots of CdSe, InP, InAs and Si, as well as to the strained, ``self-assembled" epitaxial dots of, e.g., InGaAs/GaAs. It is based on a ``Linear Combination of Bulk Bands" (LCBB) approach that expands the dot states in terms of plane wave based (pseudopotential) Bloch states throughout the Brillouin zone. The manybody part is treated via Configuration Interaction. I will illustrate how this method addresses some of the recent striking experimental observations on semiconductor quantum dots:(i) Scaling laws for band gaps and exchange interactions (ii) Rapid Auger transitions in colloidal dots (iii) Coulomb Blocade and Spin Blockade in colloidal dots (iv) Charged Excitons (e.g. Trions) in Self-assembled dots, and (v) excitonic Fine-Structure in self assembled dots.

  2. Reconstruction of nonstationary sound fields based on the time domain plane wave superposition method.

    PubMed

    Zhang, Xiao-Zheng; Thomas, Jean-Hugh; Bi, Chuan-Xing; Pascal, Jean-Claude

    2012-10-01

    A time-domain plane wave superposition method is proposed to reconstruct nonstationary sound fields. In this method, the sound field is expressed as a superposition of time convolutions between the estimated time-wavenumber spectrum of the sound pressure on a virtual source plane and the time-domain propagation kernel at each wavenumber. By discretizing the time convolutions directly, the reconstruction can be carried out iteratively in the time domain, thus providing the advantage of continuously reconstructing time-dependent pressure signals. In the reconstruction process, the Tikhonov regularization is introduced at each time step to obtain a relevant estimate of the time-wavenumber spectrum on the virtual source plane. Because the double infinite integral of the two-dimensional spatial Fourier transform is discretized directly in the wavenumber domain in the proposed method, it does not need to perform the two-dimensional spatial fast Fourier transform that is generally used in time domain holography and real-time near-field acoustic holography, and therefore it avoids some errors associated with the two-dimensional spatial fast Fourier transform in theory and makes possible to use an irregular microphone array. The feasibility of the proposed method is demonstrated by numerical simulations and an experiment with two speakers.

  3. Including the relativistic kinetic energy in a spline-augmented plane-wave band calculation

    SciTech Connect

    Fehrenbach, G.M.; Schmidt, G.

    1997-03-01

    The first-order relativistic correction to the kinetic energy of an electron, the mass-velocity term, is not bounded from below. It can, therefore, not be used within a variational framework. To overcome this deficiency we developed a method to include the entire relativistic kinetic energy {radical}(p{sup 2}c{sup 2}+m{sub 0}{sup 2}c{sup 4}){minus}m{sub 0}c{sup 2} in a spline-augmented plane-wave band calculation. The first results for silver are quite promising, especially for d and p states: The analysis of the energies of the core states as well as of the valence band structure suggests that the energies of d bands are reproduced within 1 mRy. However, the combination of the relativistic kinetic energy with the Darwin term leads to energies which are too low for s-like valence states by 10 mRy. Therefore, the s and d valence band complex is spread out and the Fermi level is lowered by the same amount as the s states. We expect to overcome these deficiencies in future investigations by using a alternative form of the relativistic potential correction along the lines proposed by Douglas and Kroll. {copyright} {ital 1997} {ital The American Physical Society}

  4. Ab initio treatment of noncollinear magnets with the full-potential linearized augmented plane wave method

    NASA Astrophysics Data System (ADS)

    Kurz, Ph.; Förster, F.; Nordström, L.; Bihlmayer, G.; Blügel, S.

    2004-01-01

    The massively parallelized full-potential linearized augmented plane-wave bulk and film program FLEUR for first-principles calculations in the context of density functional theory was adapted to allow calculations of materials with complex magnetic structures—i.e., with noncollinear spin arrangements and incommensurate spin spirals. The method developed makes no shape approximation to the charge density and works with the continuous vector magnetization density in the interstitial and vacuum region and a collinear magnetization density in the spheres. We give an account of the implementation. Important technical aspects, such as the formulation of a constrained local moment method in a full-potential method that works with a vector magnetization density to deal with specific preselected nonstationary-state spin configurations, the inclusion of the generalized gradient approximation in a noncollinear framework, and the spin-relaxation method are discussed. The significance and validity of different approximations are investigated. We present examples to the various strategies to explore the magnetic ground state, metastable states, and magnetic phase diagrams by relaxation of spin arrangements or by performing calculations for constraint spin configurations to invest the functional dependence of the total energy and magnetic moment with respect to external parameters.

  5. Dynamical supersymmetry analysis of conformal invariance for superstrings in type IIB RR plane-wave background

    SciTech Connect

    Mukhopadhyay, Partha

    2009-12-15

    In a previous work (arXiv:0902.3750 [hep-th]) we studied the world-sheet conformal invariance for superstrings in the type IIB R-R plane-wave in semi-light-cone gauge. Here we give further justification to the results found in that work through alternative arguments using dynamical supersymmetries. We show that by using the supersymmetry algebra the same quantum definition of the energy-momentum (EM) tensor can be derived. Furthermore, using certain Jacobi identities we indirectly compute the Virasoro anomaly terms by calculating the second-order supersymmetry variation of the EM tensor. Certain integrated forms of all such terms are shown to vanish. In order to deal with various divergences that appear in such computations we take a point-split definition of the same EM tensor. The final results are shown not to suffer from the ordering ambiguity as noticed in the previous work provided the coincidence limit is taken before sending the regularization parameter to zero at the end of the computation.

  6. Stress formulation in the all-electron full-potential linearized augmented plane wave method

    NASA Astrophysics Data System (ADS)

    Nagasako, Naoyuki; Oguchi, Tamio

    2012-02-01

    Stress formulation in the linearlized augmented plane wave (LAPW) method has been proposed in 2002 [1] as an extension of the force formulation in the LAPW method [2]. However, pressure calculations only for Al and Si were reported in Ref.[1] and even now stress calculations have not yet been fully established in the LAPW method. In order to make it possible to efficiently relax lattice shape and atomic positions simultaneously and to precisely evaluate the elastic constants in the LAPW method, we reformulate stress formula in the LAPW method with the Soler-Williams representation [3]. Validity of the formulation is tested by comparing the pressure obtained as the trace of stress tensor with that estimated from total energies for a wide variety of material systems. Results show that pressure is estimated within the accuracy of less than 0.1 GPa. Calculations of the shear elastic constant show that the shear components of the stress tensor are also precisely computed with the present formulation [4].[4pt] [1] T. Thonhauser et al., Solid State Commun. 124, 275 (2002).[0pt] [2] R. Yu et al., Phys. Rev. B 43, 6411 (1991).[0pt] [3] J. M. Soler and A. R. Williams, Phys. Rev. B 40, 1560 (1989).[0pt] [4] N. Nagasako and T. Oguchi, J. Phys. Soc. Jpn. 80, 024701 (2011).

  7. 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 http://dx.doi.org/10.1103/PhysRevB.81.125117, 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 http://dx.doi.org/10.1103/PhysRevB.47.6784, 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 http://dx.doi.org/10.7566/JPSJ.83.094711, J. Phys. Soc. Jpn. 83, 094711 (2014), available as the ecalj package at github.

  8. Enhanced acoustic transmission into dissipative solid materials through the use of inhomogeneous plane waves

    NASA Astrophysics Data System (ADS)

    Woods, D. C.; Bolton, J. S.; Rhoads, J. F.

    2016-09-01

    A number of applications, for instance ultrasonic imaging and nondestructive testing, involve the transmission of acoustic energy across fluid-solid interfaces into dissipative solids. However, such transmission is generally hindered by the large impedance mismatch at the interface. In order to address this problem, inhomogeneous plane waves were investigated in this work for the purpose of improving the acoustic energy transmission. To this end, under the assumption of linear hysteretic damping, models for fluid-structure interaction were developed that allow for both homogeneous and inhomogeneous incident waves. For low-loss solids, the results reveal that, at the Rayleigh angle, a unique value of the wave inhomogeneity can be found which minimizes the reflection coefficient, and consequently maximizes the transmission. The results also reveal that with sufficient dissipation levels in the solid material, homogeneous incident waves yield lower reflection values than inhomogeneous waves, due to the large degrees of inhomogeneity inherent in the transmitted waves. Analytical conditions have also been derived which predict the dependence of the optimal incident wave type on the dissipation level and wave speeds in the solid medium. Finally, implications related to the use of acoustic beams of limited spatial extent are discussed.

  9. Numerical analysis of ultrasonic transmission and absorption of oblique plane waves through the human skull

    NASA Astrophysics Data System (ADS)

    Hayner, Mark; Hynynen, Kullervo

    2001-12-01

    Ultrasonic transmission and absorption of oblique plane waves through the human skull are analyzed numerically for frequencies ranging from 1/2 to 1 MHz. These frequencies are optimum for noninvasive ultrasound therapy of brain disorders where numerical predictions of skull transmission are used to set the phase and amplitude of source elements in the phased array focusing system. The idealized model of the skull is a three-layer solid with ivory outer and inner layers and a middle marrow layer. Each layer is modeled as a flat, homogeneous, isotropic, linear solid with effective complex wave speeds to account for focused energy losses due to material damping and scattering. The model is used to predict the amplitude and phase of the transmitted wave and volumetric absorption. Results are reported for three different skull thicknesses: 3 mm, 6 mm, and 9 mm. Thickness resonances are observed in the transmitted wave for 3 mm skulls at all frequencies and for the 6 mm skulls below 0.75 MHz. Otherwise, the transmission is dominated by the direct wave. Skull phase errors due to shear waves are shown to minimally degrade the power at the focus for angles of incidence up to 20° from normal even for low material damping. The location of the peak volumetric absorption occurs either in the outer ivory or middle marrow layer and shown to vary due to wave interference.

  10. 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.

  11. Towards a generalized iso-density continuum model for molecular solvents in plane-wave DFT

    NASA Astrophysics Data System (ADS)

    Gunceler, Deniz; Arias, T. A.

    2017-01-01

    Implicit electron-density solvation models offer a computationally efficient solution to the problem of calculating thermodynamic quantities of solvated systems from first-principles quantum mechanics. However, despite much recent interest in such models, to date the applicability of such models in the plane-wave context to non-aqueous solvents has been limited because the determination of the model parameters requires fitting to a large database of experimental solvation energies for each new solvent considered. This work presents a simple approach to quickly find approximations to the non-electrostatic contributions to the solvation energy, allowing for development of new iso-density models for a large class of protic and aprotic solvents from only simple, single-molecule ab initio calculations and readily available bulk thermodynamic data. Finally, to illustrate the capabilities of the resulting theory, we also calculate the surface solvation energies of crystalline LiF in various different non-aqueous solvents, and discuss the observed trends and their relevance to lithium battery technology.

  12. The generalized scattering coefficient method for plane wave scattering in layered structures

    NASA Astrophysics Data System (ADS)

    Liu, Yu; Li, Chao; Wang, Huai-Yu; Zhou, Yun-Song

    2017-02-01

    The generalized scattering coefficient (GSC) method is pedagogically derived and employed to study the scattering of plane waves in homogeneous and inhomogeneous layered structures. The numerical stabilities and accuracies of this method and other commonly used numerical methods are discussed and compared. For homogeneous layered structures, concise scattering formulas with clear physical interpretations and strong numerical stability are obtained by introducing the GSCs. For inhomogeneous layered structures, three numerical methods are employed: the staircase approximation method, the power series expansion method, and the differential equation based on the GSCs. We investigate the accuracies and convergence behaviors of these methods by comparing their predictions to the exact results. The conclusions are as follows. The staircase approximation method has a slow convergence in spite of its simple and intuitive implementation, and a fine stratification within the inhomogeneous layer is required for obtaining accurate results. The expansion method results are sensitive to the expansion order, and the treatment becomes very complicated for relatively complex configurations, which restricts its applicability. By contrast, the GSC-based differential equation possesses a simple implementation while providing fast and accurate results.

  13. 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).

  14. 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.

  15. Effects of Non-Elevation-Focalized Linear Array Transducer on Ultrasound Plane-Wave Imaging

    PubMed Central

    Wang, Congzhi; Xiao, Yang; Xia, Jingjing; Qiu, Weibao; Zheng, Hairong

    2016-01-01

    Plane-wave ultrasound imaging (PWUS) has become an important method of ultrasound imaging in recent years as its frame rate has exceeded 10,000 frames per second, allowing ultrasound to be used for two-dimensional shear wave detection and functional brain imaging. However, compared to the traditional focusing and scanning method, PWUS images always suffer from a degradation of lateral resolution and contrast. To improve the image quality of PWUS, many different beamforming algorithms have been proposed and verified. Yet the influence of transducer structure is rarely studied. For this paper, the influence of using an acoustic lens for PWUS was evaluated. Two linear array transducers were fabricated. One was not self-focalized in the elevation direction (non-elevation-focalized transducer, NEFT); the other one was a traditional elevation-focalized transducer (EFT). An initial simulation was conducted to show the influence of elevation focusing. Then the images obtained with NEFT on a standard ultrasound imaging phantom were compared with those obtained with EFT. It was demonstrated that, in a relatively deep region, the contrast of an NEFT image is better than that of an EFT image. These results indicate that a more sophisticated design of ultrasound transducer would further improve the image quality of PWUS. PMID:27845751

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

    SciTech Connect

    Gabard, Gwenael . E-mail: gabard@soton.ac.uk

    2007-08-10

    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.

  17. Nonlocal van der Waals density functional made simple and efficient

    NASA Astrophysics Data System (ADS)

    Sabatini, Riccardo; Gorni, Tommaso; de Gironcoli, Stefano

    2013-01-01

    We present a simple revision of the VV10 nonlocal density functional by Vydrov and Van Voorhis [J. Chem. Phys.JCPSA60021-960610.1063/1.3521275 133, 244103 (2010)] for dispersion interactions. Unlike the original functional our modification allows nonlocal correlation energy and its derivatives to be efficiently evaluated in a plane wave framework along the lines pioneered by Román-Pérez and Soler [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.103.096102 103, 096102 (2009)]. Our revised functional maintains the outstanding precision of the original VV10 in noncovalently bound complexes and performs well in representative covalent, ionic, and metallic solids.

  18. Tan's distributions and Fermi-Huang pseudopotential in momentum space

    NASA Astrophysics Data System (ADS)

    Valiente, Manuel

    2012-01-01

    The long-standing question of finding the momentum representation for the s-wave zero-range interaction in three spatial dimensions is here solved. This is done by expressing a certain distribution, introduced in a formal way in [S. Tan, Ann. Phys. (NY)APNYA60003-491610.1016/j.aop.2008.03.004 323, 2952 (2008)], explicitly. The resulting form of the Fourier-transformed pseudopotential remains very simple. Operator forms for the so-called Tan's selectors, which, together with Fermi-Huang pseudopotential, largely simplify the derivation of Tan's universal relations for the Fermi gas, are here derived and are also very simple. A momentum cutoff version of the pseudopotential is also provided, and with this no apparent contradiction to the notion of integrals in Tan's methods is left. The equivalence, even at the intermediate-step level, between the pseudopotential approach and momentum-space renormalization of the bare Dirac delta interaction is then shown by using the explicit form of the cutoff pseudopotential.

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

    PubMed

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

    2014-04-03

    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.

  20. Least-Squares Multi-Angle Doppler Estimators for Plane Wave Vector Flow Imaging.

    PubMed

    Yiu, Billy Y S; Yu, Alfred C H

    2016-06-20

    Designing robust Doppler vector estimation strategies for use in plane wave imaging schemes based on unfocused transmissions is a topic that has yet to be studied in depth. One potential solution is to use a multi-angle Doppler estimation approach that computes flow vectors via least-squares fitting, but its performance has not been established. Here, we investigated the efficacy of multi-angle Doppler vector estimators by: (i) comparing its performance with respect to the classical dual-angle (cross-beam) Doppler vector estimator; (ii) examining the working effects of multi-angle Doppler vector estimators on flow visualization quality in the context of dynamic flow path rendering. Implementing Doppler vector estimators that use different combinations of transmit (Tx) and receive (Rx) steering angles, our analysis has compared the classical dual-angle Doppler method, a 5-Tx version of dual-angle Doppler, and various multi-angle Doppler configurations based on 3 Tx and 5 Tx. Two angle spans (10°, 20°) were examined in forming the steering angles. In imaging scenarios with known flow profiles (rotating disc and straight-tube parabolic flow), the 3-Tx, 3-Rx and 5-Tx, 5-Rx multi-angle configurations produced vector estimates with smaller variability comparing to the dual-angle method, and the estimation results were more consistent with the use of a 20° angle span. Flow vectors derived from multi-angle Doppler estimators were also found to be effective in rendering the expected flow paths in both rotating disc and straight-tube imaging scenarios, while the ones derived from the dual-angle estimator yielded flow paths that deviated from the expected course. These results serve to attest that, using multi-angle least-squares Doppler vector estimators, flow visualization can be consistently achieved.

  1. Least-Squares Multi-Angle Doppler Estimators for Plane-Wave Vector Flow Imaging.

    PubMed

    Yiu, Billy Y S; Yu, Alfred C H

    2016-11-01

    Designing robust Doppler vector estimation strategies for use in plane-wave imaging schemes based on unfocused transmissions is a topic that has yet to be studied in depth. One potential solution is to use a multi-angle Doppler estimation approach that computes flow vectors via least-squares fitting, but its performance has not been established. Here, we investigated the efficacy of multi-angle Doppler vector estimators by: 1) comparing its performance with respect to the classical dual-angle (cross-beam) Doppler vector estimator and 2) examining the working effects of multi-angle Doppler vector estimators on flow visualization quality in the context of dynamic flow path rendering. Implementing Doppler vector estimators that use different combinations of transmit (Tx) and receive (Rx) steering angles, our analysis has compared the classical dual-angle Doppler method, a 5-Tx version of dual-angle Doppler, and various multi-angle Doppler configurations based on 3 Tx and 5 Tx. Two angle spans (10°, 20°) were examined in forming the steering angles. In imaging scenarios with known flow profiles (rotating disk and straight-tube parabolic flow), the 3-Tx, 3-Rx and 5-Tx, 5-Rx multi-angle configurations produced vector estimates with smaller variability compared with the dual-angle method, and the estimation results were more consistent with the use of a 20° angle span. Flow vectors derived from multi-angle Doppler estimators were also found to be effective in rendering the expected flow paths in both rotating disk and straight-tube imaging scenarios, while the ones derived from the dual-angle estimator yielded flow paths that deviated from the expected course. These results serve to attest that using multi-angle least-squares Doppler vector estimators, flow visualization can be consistently achieved.

  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. Fast color flow mode imaging using plane wave excitation and temporal encoding

    NASA Astrophysics Data System (ADS)

    Udesen, Jesper; Gran, Fredrik; Jensen, Jorgen A.

    2005-04-01

    In conventional ultrasound color flow mode imaging, a large number (~500) of pulses have to be emitted in order to form a complete velocity map. This lowers the frame-rate and temporal resolution. A method for color flow imaging in which a few (~10) pulses have to be emitted to form a complete velocity image is presented. The method is based on using a plane wave excitation with temporal encoding to compensate for the decreased SNR, resulting from the lack of focusing. The temporal encoding is done with a linear frequency modulated signal. To decrease lateral sidelobes, a Tukey window is used as apodization on the transmitting aperture. The data are beamformed along the direction of the flow, and the velocity is found by 1-D cross correlation of these data. First the method is evaluated in simulations using the Field II program. Secondly, the method is evaluated using the experimental scanner RASMUS and a 7 MHz linear array transducer, which scans a circulating flowrig. The velocity of the blood mimicking fluid in the flowrig is constant and parabolic, and the center of the scanned area is situated at a depth of 40 mm. A CFM image of the blood flow in the flowrig is estimated from two pulse emissions. At the axial center line of the CFM image, the velocity is estimated over the vessel with a mean relative standard deviation of 2.64% and a mean relative bias of 6.91%. At an axial line 5 mm to the right of the center of the CFM image, the velocity is estimated over the vessel with a relative standard deviation of 0.84% and a relative bias of 5.74%. Finally the method is tested on the common carotid artery of a healthy 33-year-old male.

  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. 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.

  6. Contact angles in the pseudopotential lattice Boltzmann modeling of wetting.

    PubMed

    Li, Qing; Luo, K H; Kang, Q J; Chen, Q

    2014-11-01

    In this paper we investigate the implementation of contact angles in the pseudopotential lattice Boltzmann modeling of wetting at a large density ratio ρ_{L}/ρ_{V}=500. The pseudopotential lattice Boltzmann model [X. Shan and H. Chen, Phys. Rev. E 49, 2941 (1994)10.1103/PhysRevE.49.2941] is a popular mesoscopic model for simulating multiphase flows and interfacial dynamics. In this model the contact angle is usually realized by a fluid-solid interaction. Two widely used fluid-solid interactions, the density-based interaction and the pseudopotential-based interaction, as well as a modified pseudopotential-based interaction formulated in the present paper are numerically investigated and compared in terms of the achievable contact angles, the maximum and the minimum densities, and the spurious currents. It is found that the pseudopotential-based interaction works well for simulating small static (liquid) contact angles θ<90^{∘}, however, it is unable to reproduce static contact angles close to 180^{∘}. Meanwhile, it is found that the proposed modified pseudopotential-based interaction performs better in light of the maximum and the minimum densities and is overall more suitable for simulating large contact angles θ>90^{∘} as compared with the two other types of fluid-solid interactions. Furthermore, the spurious currents are found to be enlarged when the fluid-solid interaction force is introduced. Increasing the kinematic viscosity ratio between the vapor and liquid phases is shown to be capable of reducing the spurious currents caused by the fluid-solid interactions.

  7. Contact angles in the pseudopotential lattice Boltzmann modeling of wetting

    NASA Astrophysics Data System (ADS)

    Li, Qing; Luo, K. H.; Kang, Q. J.; Chen, Q.

    2014-11-01

    In this paper we investigate the implementation of contact angles in the pseudopotential lattice Boltzmann modeling of wetting at a large density ratio ρL/ρV=500 . The pseudopotential lattice Boltzmann model [X. Shan and H. Chen, Phys. Rev. E 49, 2941 (1994), 10.1103/PhysRevE.49.2941] is a popular mesoscopic model for simulating multiphase flows and interfacial dynamics. In this model the contact angle is usually realized by a fluid-solid interaction. Two widely used fluid-solid interactions, the density-based interaction and the pseudopotential-based interaction, as well as a modified pseudopotential-based interaction formulated in the present paper are numerically investigated and compared in terms of the achievable contact angles, the maximum and the minimum densities, and the spurious currents. It is found that the pseudopotential-based interaction works well for simulating small static (liquid) contact angles θ <90∘ , however, it is unable to reproduce static contact angles close to 180∘. Meanwhile, it is found that the proposed modified pseudopotential-based interaction performs better in light of the maximum and the minimum densities and is overall more suitable for simulating large contact angles θ >90∘ as compared with the two other types of fluid-solid interactions. Furthermore, the spurious currents are found to be enlarged when the fluid-solid interaction force is introduced. Increasing the kinematic viscosity ratio between the vapor and liquid phases is shown to be capable of reducing the spurious currents caused by the fluid-solid interactions.

  8. Plane wave propagation in a rotating anisotropic medium with voids under the action of a uniform magnetic field

    NASA Astrophysics Data System (ADS)

    Maity, Narottam; Barik, S. P.; Chaudhuri, P. K.

    2016-09-01

    In this paper, plane wave propagation in a rotating anisotropic material of general nature under the action of a magnetic field of constant magnitude has been investigated. The material is supposed to be porous in nature and contains voids. Following the concept of [Cowin S. C. and Nunziato, J. W. [1983] “Linear elastic materials with voids,” J. Elasticity 13, 125-147.] the governing equations of motion have been written in tensor notation taking account of rotation, magnetic field effect and presence of voids in the medium and the possibility of plane wave propagation has been examined. A number of particular cases have been derived from our general results to match with previously obtained results in this area. Effects of various parameters on the velocity of wave propagation have been presented graphically.

  9. Electronic states in low-dimensional nano-structures: Comparison between the variational and plane wave basis method

    NASA Astrophysics Data System (ADS)

    Hu, Min; Wang, Hailong; Gong, Qian; Wang, Shumin

    2017-04-01

    A comparison is made between the plane wave basis and variational method. Within the framework of effective-mass approximation theory, the variational and plane wave basis method are used to calculate ground state energy and ground state binding energy in low-dimensional nano-structures under the external electric field. Comparing calculation results, the donor binding energies of ground state display the consistent trend, both of them are strongly dependent on the quantum size, impurity position and external electric field. However, the impurity ground state energy calculated using variational method may be larger than the real value and it results in the smaller binding energy for variational method. In addition, the binding energy is more sensitive to the external electric field for the variational method, which can be seen more clearly from Stark shift.

  10. Full-wave model and numerical study of electromagnetic plane wave scattering by multilayered, fiber-based periodic composites

    NASA Astrophysics Data System (ADS)

    Li, C. Y.; Lesselier, D.; Zhong, Y.

    2015-07-01

    The present work aims at building up a full-wave computational model of electromagnetic nondestructive testing of composite materials produced by stacking up dielectric slabs one over the other. In each such dielectric slab, a periodic array of infinite cylindrical fibers is embedded. Electromagnetic scattering of such a multilayered, fiber-based periodic composite is investigated here for an obliquely incident plane wave, the plane of incidence of which differs from the plane orthogonal to the fibers' axes. Full-wave field representations are given first by multipole and plane wave expansions. Mode matching at boundaries between layers then yields the propagating matrices, which are applied to connect reflection and transmission coefficients of the longitudinal field components. Power reflection and transmission coefficients are obtained from time-averaged Poynting vectors. Numerical experiments with comparisons with known results illustrate the accuracy of the model proposed.

  11. Classical and quantum dynamics of a charged scalar particle in a background of two counterpropagating plane waves

    NASA Astrophysics Data System (ADS)

    King, B.; Hu, H.

    2016-12-01

    We consider a scalar particle in a background formed by two counterpropagating plane waves. Two cases are studied: (i) dynamics at a magnetic node and (ii) zero initial transverse canonical momentum. The Lorentz and Klein-Gordon equations are solved for these cases and approximations analyzed. For the magnetic-node solution (homogeneous, time-dependent electric field), the modified Volkov wave function which arises from a high-energy approximation is found to be inaccurate for all energies and the solution itself unstable when the photon emission (nonlinear Compton scattering) is included. For the zero initial transverse canonical momentum case, in both quantum and classical cases, forbidden parameter regimes, absent in the plane-wave model, are identified.

  12. 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.

  13. Full-band Monte Carlo model with screened pseudopotential based phonon scattering rates for a lattice with basis

    NASA Astrophysics Data System (ADS)

    Nguyen, Phuong Hoa; Hofmann, Karl R.; Paasch, Gernot

    2002-11-01

    In advanced full-band Monte Carlo (MC) models, the Nordheim approximation with a spherical Wigner-Seitz cell for a lattice with two atoms per elementary cell is still common, and in the most detailed work on silicon by Kunikiyo [et al.] [J. Appl. Phys. 74, 297 (1994)], the atomic positions in the cell have been incorrectly introduced in the phonon scattering rates. In this article the correct expressions for the phonon scattering rates based on the screened pseudopotential are formulated for the case of several atoms per unit cell. Furthermore, the simplest wave number dependent approximation is introduced, which contains an average of the cell structure factor and the acoustic and the optical deformation potentials as two parameters to be fitted. While the band structure is determined by the pseudopotential at the reciprocal lattice vectors, the phonon scattering rates are essentially determined by wave numbers below the smallest reciprocal lattice vector. Thus, in the phonon scattering rates, the pseudopotential form factor is modeled by the simple Ashcroft model potential, in contrast to the full band structure, which is calculated using a nonlocal pseudopotential scheme. The parameter in the Ashcroft model potential is determined using a method based on the equilibrium condition. For the screening of the pseudopotential form factor, the Lindhard dielectric function is used. Compared to the Nordheim approximation with a spherical Wigner-Seitz cell, the approximation results in up to 10% lower phonon scattering rates. Examples from a detailed comparison of the influence of the two deformation potentials on the electron and hole drift velocities are presented for Ge and Si at different temperatures. The results are prerequisite for a well-founded choice of the two deformation potentials as fit parameters and they provide an explanation of the differences between the two materials, the origin of the anisotropy of the drift velocities, and the origin of the dent in

  14. Communication: Singularity-free hybrid functional with a Gaussian-attenuating exact exchange in a plane-wave basis.

    PubMed

    Song, Jong-Won; Giorgi, Giacomo; Yamashita, Koichi; Hirao, Kimihiko

    2013-06-28

    Integrable singularity in the exact exchange calculations in hybrid functionals is an old and well-known problem in plane-wave basis. Recently, we developed a hybrid functional named Gaussian-attenuating Perdew-Burke-Ernzerhof (Gau-PBE), which uses a Gaussian function as a modified Coulomb potential for the exact exchange. We found that the modified Coulomb potential of Gaussian function enables the exact exchange calculation in plane-wave basis to be singularity-free and, as a result, the Gau-PBE functional shows faster energy convergence on k and q grids for the exact exchange calculations. Also, a tight comparison (same k and q meshes) between Gau-PBE and two other hybrid functionals, i.e., PBE0 and HSE06, indicates Gau-PBE functional as the least computational time consuming. The Gau-PBE functional employed in conjunction with a plane wave basis provides bandgaps with higher accuracy than the PBE0 and HSE06 in agreement with bandgaps previously calculated using Gaussian-type-orbitals.

  15. 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.

  16. 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.

  17. A goal-oriented adaptive finite-element approach for plane wave 3-D electromagnetic modelling

    NASA Astrophysics Data System (ADS)

    Ren, Zhengyong; Kalscheuer, Thomas; Greenhalgh, Stewart; Maurer, Hansruedi

    2013-08-01

    We have developed a novel goal-oriented adaptive mesh refinement approach for finite-element methods to model plane wave electromagnetic (EM) fields in 3-D earth models based on the electric field differential equation. To handle complicated models of arbitrary conductivity, magnetic permeability and dielectric permittivity involving curved boundaries and surface topography, we employ an unstructured grid approach. The electric field is approximated by linear curl-conforming shape functions which guarantee the divergence-free condition of the electric field within each tetrahedron and continuity of the tangential component of the electric field across the interior boundaries. Based on the non-zero residuals of the approximated electric field and the yet to be satisfied boundary conditions of continuity of both the normal component of the total current density and the tangential component of the magnetic field strength across the interior interfaces, three a-posterior error estimators are proposed as a means to drive the goal-oriented adaptive refinement procedure. The first a-posterior error estimator relies on a combination of the residual of the electric field, the discontinuity of the normal component of the total current density and the discontinuity of the tangential component of the magnetic field strength across the interior faces shared by tetrahedra. The second a-posterior error estimator is expressed in terms of the discontinuity of the normal component of the total current density (conduction plus displacement current). The discontinuity of the tangential component of the magnetic field forms the third a-posterior error estimator. Analytical solutions for magnetotelluric (MT) and radiomagnetotelluric (RMT) fields impinging on a homogeneous half-space model are used to test the performances of the newly developed goal-oriented algorithms using the above three a-posterior error estimators. A trapezoidal topographical model, using normally incident EM waves

  18. Green function for a charged spin-½ particle with anomalous magnetic moment in a plane-wave external electromagnetic field

    NASA Astrophysics Data System (ADS)

    Narayan Vaidya, Arvind; Barbosa da Silva Filho, Pedro

    1999-09-01

    The Green function for a charged spin- 1/2 particle with anomalous magnetic moment in the presence of a plane-wave external electromagnetic field is calculated and shown to be simply related to the free-particle one.

  19. Application of norm-conserving pseudopotentials to intense laser-matter interactions

    NASA Astrophysics Data System (ADS)

    Tong, Xiao-Min; Wachter, Georg; Sato, Shunsuke A.; Lemell, Christoph; Yabana, Kazuhiro; Burgdörfer, Joachim

    2015-10-01

    We investigate the applicability of norm-conserving pseudopotentials to intense laser-matter interactions by performing time-dependent density functional theory simulations with an all-electron potential and with norm-conserving pseudopotentials. We find pseudopotentials to be reliable for the simulation of above-threshold ionization over a broad range of laser intensities both for the total ionization probability and the photoelectron energy spectrum. For the simulation of high-order-harmonic generation, pseudopotentials are shown to be applicable for lower-order harmonics in the spectral range in which the one-photon recombination dipole-matrix element can be recovered by the pseudopotential calculation.

  20. Novel FDTD Approach for Seismic Response of Three-dimensionally Heterogeneous Model to an Oblique Plane-wave Incidence

    NASA Astrophysics Data System (ADS)

    Takenaka, H.; Okamoto, T.; Nakamura, T.

    2009-12-01

    We propose a novel approach for calculating response of three-dimensionally (3D) heterogeneous structure model to an oblique incidence of seismic plane wave with the finite-difference method in the time-domain (FDTD). Computation of seismic response to a plane-wave incidence has many applications of practical interest such as synthesis of teleseismic body waves for source inversion or receiver function analysis, and evaluation of basin effects or local site effects of strong ground motion. However, in most cases of those applications horizontally layered media have been locally employed except recent works based on 2.5D FDTD of Takenaka and Okamoto (1997) which can calculate the 3D response of a 2D heterogeneous model. It has been difficult to calculate the response of a 3D heterogeneous model mainly because of a technical issue. In modeling of seismic wavefields with domain methods such as the FDTD, special manipulation called non-reflecting boundary or absorbing boundary condition is necessary for suppressing the spurious reflections from the boundaries of the computational domain. In 3D modeling some methods are effective for source excitation problems, while for oblique plane-wave incidence problems, as far as we know, almost no method is effective at the side boundaries. Strong artificial reflections from the plane wave at the side boundaries contaminate the computed wavefields. In 2D modeling we could use large computational domain so that the artificial waves arrive at the study area after the all target phases completely pass there. However, in 3D modeling adopting such simple approach is difficult because of its huge requirements of computer memory and CPU time. Here we present a breakthrough to overcome this technical issue. It is a field splitting approach to the discretization of the Floquet transformed elastodynamic equations. This approach was originally introduced by Roden et al. (1998, IEEE TMTT) for implementing periodic boundary conditions into

  1. 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.

  2. Definitions of multipartite nonlocality

    NASA Astrophysics Data System (ADS)

    Bancal, Jean-Daniel; Barrett, Jonathan; Gisin, Nicolas; Pironio, Stefano

    2013-07-01

    In a multipartite setting, it is possible to distinguish quantum states that are genuinely n-way entangled from those that are separable with respect to some bipartition. Similarly, the nonlocal correlations that can arise from measurements on entangled states can be classified into those that are genuinely n-way nonlocal, and those that are local with respect to some bipartition. Svetlichny introduced an inequality intended as a test for genuine tripartite nonlocality. This work introduces two alternative definitions of n-way nonlocality, which we argue are better motivated both from the point of view of the study of nature, and from the point of view of quantum information theory. We show that these definitions are strictly weaker than Svetlichny's, and introduce a series of suitable Bell-type inequalities for the detection of three-way nonlocality. Numerical evidence suggests that all three-way entangled pure quantum states can produce three-way nonlocal correlations.

  3. Nonlocality in Imaging

    SciTech Connect

    Oxley, M.P.; Cosgriff, E.C.; Allen, L.J.

    2005-05-27

    We show how an effective nonlocality in imaging can lead to the sampling of a spatial region which is not significantly illuminated by an imaging probe. The nonlocality is embodied in the effective nonlocal potential describing inelastic scattering which occurs when coupled channel Schroedinger equations are reduced to a single integro-differential equation. The context in which this prediction will be illustrated is atomic resolution imaging based on energy-loss spectroscopy in scanning transmission electron microscopy.

  4. Nonlocality in imaging.

    PubMed

    Oxley, M P; Cosgriff, E C; Allen, L J

    2005-05-27

    We show how an effective nonlocality in imaging can lead to the sampling of a spatial region which is not significantly illuminated by an imaging probe. The nonlocality is embodied in the effective nonlocal potential describing inelastic scattering which occurs when coupled channel Schrödinger equations are reduced to a single integro-differential equation. The context in which this prediction will be illustrated is atomic resolution imaging based on energy-loss spectroscopy in scanning transmission electron microscopy.

  5. Room acoustics analysis using circular arrays: an experimental study based on sound field plane-wave decomposition.

    PubMed

    Torres, Ana M; Lopez, Jose J; Pueo, Basilio; Cobos, Maximo

    2013-04-01

    Plane-wave decomposition (PWD) methods using microphone arrays have been shown to be a very useful tool within the applied acoustics community for their multiple applications in room acoustics analysis and synthesis. While many theoretical aspects of PWD have been previously addressed in the literature, the practical advantages of the PWD method to assess the acoustic behavior of real rooms have been barely explored so far. In this paper, the PWD method is employed to analyze the sound field inside a selected set of real rooms having a well-defined purpose. To this end, a circular microphone array is used to capture and process a number of impulse responses at different spatial positions, providing angle-dependent data for both direct and reflected wavefronts. The detection of reflected plane waves is performed by means of image processing techniques applied over the raw array response data and over the PWD data, showing the usefulness of image-processing-based methods for room acoustics analysis.

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

    DOE PAGES

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

    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

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

    NASA Astrophysics Data System (ADS)

    Kilcrease, D. P.; Brookes, S.

    2013-12-01

    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. 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. 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.

  8. Three-dimensional, prestack, plane wave migration of teleseismic P-to-S converted phases: 1. Theory

    NASA Astrophysics Data System (ADS)

    Poppeliers, Christian; Pavlis, Gary L.

    2003-02-01

    We present the theoretical foundations for a prestack migration technique to image teleseismic P-to-S converted phases. The method builds on teleseismic P wave deconvolution, pseudostation stacking [, 1999] and on the idea of using a plane wave decomposition for imaging as introduced by [1982]. Deconvolution operators are constructed by pseudostation stacking of the array aligned to the incident P wave arrival times to produce a space-variable deconvolution operator. The resulting data are then muted to remove the deconvolved direct P wave pulse and pseudostation stacked over a grid of feasible slowness vectors. The pseudostation stack interpolates the wave field onto a regular grid along Earth's surface producing a series (one per slowness vector) of uniformly sampled three-dimensional data cubes (two space variables and time). The plane wave components can be propagated downward using a form of approximate ray tracing with a three-dimensional Earth model. This yields a series of distorted cubes topologically equivalent to the original uniformly sampled data cubes. These data volumes are summed as a weighted stack with the weights derived from an integration formula for inverse scattering based on the generalized Radon transform. This allows an image of the subsurface to be constructed on an event by event basis beneath the array. We apply this technique to data from the Lodore array that was deployed in northwestern Colorado. The results suggest the presence of a major lithospheric-scale discontinuity defined by a south dipping boundary.

  9. A real-time plane-wave decomposition algorithm for characterizing perforated liners damping at multiple mode frequencies.

    PubMed

    Zhao, Dan

    2011-03-01

    Perforated liners with a narrow frequency range are widely used as acoustic dampers to stabilize combustion systems. When the frequency of unstable modes present in the combustion system is within the effective frequency range, the liners can efficiently dissipate acoustic waves. The fraction of the incident waves being absorbed (known as power absorption coefficient) is generally used to characterize the liners damping. To estimate it, plane waves either side of the liners need to be decomposed and characterized. For this, a real-time algorithm is developed. Emphasis is being placed on its ability to online decompose plane waves at multiple mode frequencies. The performance of the algorithm is evaluated first in a numerical model with two unstable modes. It is then experimentally implemented in an acoustically driven pipe system with a lined section attached. The acoustic damping of perforated liners is continuously characterized in real-time. Comparison is then made between the results from the algorithm and those from the short-time fast Fourier transform (FFT)-based techniques, which are typically used in industry. It was found that the real-time algorithm allows faster tracking of the liners damping, even when the forcing frequency was suddenly changed.

  10. 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.

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

    DOE PAGES

    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

  12. Comparative analysis on viewing angle change in Fresnel and Fourier holographic images reconstructed by a tilted plane wave.

    PubMed

    Chae, Byung Gyu

    2014-05-20

    We carry out a comparative analysis on a viewing angle change in Fresnel and Fourier holographic images reconstructed by a tilted plane wave. A tilted plane wave illuminating an on-axis hologram generates a diffractive wave carrying the holographic image in a paraxial region of a new diffraction axis. The reconstructed image in the Fresnel hologram is deformed along the new viewing direction, which is well described as Affine transformation. In the Fourier holographic image, the replica of the image is formed without its deformation when the hologram is placed in the front focal plane of the lens, whereas in the case of a hologram that is located at a distance different from a focal length, image deformation arises. This property is investigated through numerical simulation based on a wide-angle diffraction phenomenon. We also perform a similar interpretation for high-order diffraction images appearing in the sampled Fourier hologram and discuss a method for enlarging the viewing angle of the holographic image.

  13. 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.

  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. Quantum Nonlocality and Reality

    NASA Astrophysics Data System (ADS)

    Bell, Mary; Gao, Shan

    2016-09-01

    Preface; Part I. John Stewart Bell: The Physicist: 1. John Bell: the Irish connection Andrew Whitaker; 2. Recollections of John Bell Michael Nauenberg; 3. John Bell: recollections of a great scientist and a great man Gian-Carlo Ghirardi; Part II. Bell's Theorem: 4. What did Bell really prove? Jean Bricmont; 5. The assumptions of Bell's proof Roderich Tumulka; 6. Bell on Bell's theorem: the changing face of nonlocality Harvey R. Brown and Christopher G. Timpson; 7. Experimental tests of Bell inequalities Marco Genovese; 8. Bell's theorem without inequalities: on the inception and scope of the GHZ theorem Olival Freire, Jr and Osvaldo Pessoa, Jr; 9. Strengthening Bell's theorem: removing the hidden-variable assumption Henry P. Stapp; Part III. Nonlocality: Illusions or Reality?: 10. Is any theory compatible with the quantum predictions necessarily nonlocal? Bernard d'Espagnat; 11. Local causality, probability and explanation Richard A. Healey; 12. Bell inequality and many-worlds interpretation Lev Vaidman; 13. Quantum solipsism and non-locality Travis Norsen; 14. Lessons of Bell's theorem: nonlocality, yes; action at a distance, not necessarily Wayne C. Myrvold; 15. Bell non-locality, Hardy's paradox and hyperplane dependence Gordon N. Fleming; 16. Some thoughts on quantum nonlocality and its apparent incompatibility with relativity Shan Gao; 17. A reasonable thing that just might work Daniel Rohrlich; 18. Weak values and quantum nonlocality Yakir Aharonov and Eliahu Cohen; Part IV. Nonlocal Realistic Theories: 19. Local beables and the foundations of physics Tim Maudlin; 20. John Bell's varying interpretations of quantum mechanics: memories and comments H. Dieter Zeh; 21. Some personal reflections on quantum non-locality and the contributions of John Bell Basil J. Hiley; 22. Bell on Bohm Sheldon Goldstein; 23. Interactions and inequality Philip Pearle; 24. Gravitation and the noise needed in objective reduction models Stephen L. Adler; 25. Towards an objective

  16. Operational Framework for Nonlocality

    NASA Astrophysics Data System (ADS)

    Gallego, Rodrigo; Würflinger, Lars Erik; Acín, Antonio; Navascués, Miguel

    2012-08-01

    Because of the importance of entanglement for quantum information purposes, a framework has been developed for its characterization and quantification as a resource based on the following operational principle: entanglement among N parties cannot be created by local operations and classical communication, even when N-1 parties collaborate. More recently, nonlocality has been identified as another resource, alternative to entanglement and necessary for device-independent quantum information protocols. We introduce an operational framework for nonlocality based on a similar principle: nonlocality among N parties cannot be created by local operations and allowed classical communication even when N-1 parties collaborate. We then show that the standard definition of multipartite nonlocality, due to Svetlichny, is inconsistent with this operational approach: according to it, genuine tripartite nonlocality could be created by two collaborating parties. We finally discuss alternative definitions for which consistency is recovered.

  17. Electronic structure of cerium hydrides: Augmented-plane-wave linear-combination-of-atomic-orbitals energy bands

    NASA Astrophysics Data System (ADS)

    Fujimori, A.; Minami, F.; Tsuda, N.

    1980-10-01

    Electronic energy bands have been calculated for CeH2 and CeH3 using the augmented-plane-wave method and have been fitted by the linear-combination-of-atomic-orbitals interpolation scheme. The partial densities of states and the numbers of electrons on atomic orbitals indicate that hydrogen in CeH2 is almost anionlike. When going from CeH2 to CeH3, shallow bonding levels are found to form between the third hydrogen state and conduction electrons of CeH2, other features of CeH2 being little affected by it. Thus the rare-earth dihydrides are regarded as ionic compounds similar to the saline-element dihydrides except for the presence of d-like conduction electrons.

  18. 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.

  19. Diffraction of plane waves by finite-radius spiral phase plates of integer and fractional topological charge.

    PubMed

    Garcia-Gracia, Hipolito; Gutiérrez-Vega, Julio C

    2009-04-01

    A detailed analysis of the plane-wave diffraction by a finite-radius circular spiral phase plate (SPP) with integer and fractional topological charge and with variable transmission coefficients inside and outside of the plate edge is presented. We characterize the effect of varying the transmission coefficients and the parameters of the SPP on the propagated field. The vortex structure for integer and fractional phase step of the SPPs with and without phase apodization at the plate edge is also analyzed. The consideration of the interference between the light crossing the SPP and the light that undergoes no phase alteration at the aperture plane reveals new and interesting phenomena associated to this classical problem.

  20. Phase and direction dependence of photorefraction in a low-frequency strong circular-polarized plane wave

    NASA Astrophysics Data System (ADS)

    Huang, Yong-Sheng; Wang, Nai-Yan; Tang, Xiu-Zhang

    2015-05-01

    Contrary to the superposition principle, it is well known that photorefraction exists in the vacuum with the presence of a strong static field, a laser field, or a rotational magnetic field. Different from the classical optical crystals, the refractive index also depends on the phase of the strong electromagnetic field. We obtain the phase and direction dependence of the refractive index of a probe wave incident in the strong field of a circular-polarized plane wave by solving the Maxwell equations corrected by the effective Lagrangian. It may provide a valuable theoretical basis to calculate the polarization evolution of waves in the strong electromagnetic circumstances of pulsar or neutron stars. Project supported by the National Basic Research Program of China (Grant No. 2011CB808104) and the National Natural Science Foundation of China (Grant No. 11105233).

  1. 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.

  2. Curved-space trace, chiral, and Einstein anomalies from path integrals, using flat-space plane waves

    NASA Astrophysics Data System (ADS)

    Ceresole, A.; Pizzochero, P.; van Nieuwenhuizen, P.

    1989-03-01

    We show that the gravitational trace and chiral anomalies can be computed from the measure by using the same general flat-space methods as used for nongravitational anomalies. No heat-kernel methods, zeta-function regularization, point-splitting techniques, etc., are needed, although they may be used and then simplify the algebra. In particular, we claim that it is not necessary to insert factors of g1/4 which are often added on grounds of covariance, since one-loop anomalies are local objects, while the trace of the Jacobian of the measure is a purely mathematical object which can be evaluated whether or not one has even heard about general relativity. We also show that the trace operation is cyclic by performing two different computations of the Einstein anomaly: once with the regulator in front of the Jacobian and once in the back. In both cases we obtain total derivatives on a plane-wave basis.

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

    NASA Astrophysics Data System (ADS)

    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.

  4. 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).

  5. 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

    2013-11-05

    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.

  6. Nonlocality from Local Contextuality

    NASA Astrophysics Data System (ADS)

    Liu, Bi-Heng; Hu, Xiao-Min; Chen, Jiang-Shan; Huang, Yun-Feng; Han, Yong-Jian; Li, Chuan-Feng; Guo, Guang-Can; Cabello, Adán

    2016-11-01

    We experimentally show that nonlocality can be produced from single-particle contextuality by using two-particle correlations which do not violate any Bell inequality by themselves. This demonstrates that nonlocality can come from an a priori different simpler phenomenon, and connects contextuality and nonlocality, the two critical resources for, respectively, quantum computation and secure communication. From the perspective of quantum information, our experiment constitutes a proof of principle that quantum systems can be used simultaneously for both quantum computation and secure communication.

  7. 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.

  8. Route to nonlocal cosmology

    NASA Astrophysics Data System (ADS)

    Calcagni, Gianluca; Montobbio, Michele; Nardelli, Giuseppe

    2007-12-01

    An analytic approach to phenomenological models inspired by cubic string field theory is introduced and applied to some examples. We study a class of actions for a minimally coupled, homogeneous scalar field whose energy density contains infinitely many time derivatives. These nonlocal systems are systematically localized and an algorithm to find cosmological solutions of the dynamical equations is provided. Our formalism is able to define the nonlocal field in regions of the parameter space which are inaccessible by standard methods. Also, problems related to nonlocality are reinterpreted under a novel perspective and naturally overcome. We consider phenomenological models living on a Friedmann-Robertson-Walker background with power-law scale factor, both in four dimensions and on a high-energy braneworld. The quest for solutions unravels general features of nonlocal dynamics indicating several future directions of investigation.

  9. 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.

  10. 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.

  11. 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.

  12. Using pseudopotentials within the interacting quantum atoms approach.

    PubMed

    Tiana, Davide; Francisco, E; Blanco, M A; Pendás, A Martín

    2009-07-09

    A general strategy to extend the interacting quantum atoms (IQA) approach to pseudopotential or effective core potential electronic structure calculations is presented. With the protocol proposed here, the scope of IQA thinking opens to chemical bonding problems in heavy-atom systems, as well as to larger molecules than those presently allowed by computational limitations. We show that, provided that interatomic surfaces are computed from core-reconstructed densities, reasonable results are obtained by integrating reduced density matrices built from the pseudowave functions. Comparison with all-electron results in a few test systems shows that exchange-correlation energies are better reproduced than Coulombic contributions, an effect which is traced to inadequate atomic populations and leakage of the core population into the surrounding quantum atoms.

  13. 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

    2010-06-07

    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.

  14. Modelling the optical response of human retinal photoreceptors to plane wave illumination with the finite integration technique

    NASA Astrophysics Data System (ADS)

    Akhlagh Moayed, Alireza; Dang, Shannon; Ramahi, Omar M.; Bizheva, Kostadinka K.

    2009-02-01

    The early stages of ocular diseases such as Diabetic Retinopathy are manifested by morphological changes in retinal tissue occurring on cellular level. Therefore, a number of ophthalmic diseases can be diagnosed at an early stage by detecting spatial and temporal variations in the scattering profile of retinal tissue. It was recently demonstrated that, OCT can be used to probe the functional response of retinal photoreceptors to external light stimulation [1]-[3]. fUHROCT measures localized differential changes in the retina reflectivity over time resulting from external light stimulation of the retina. Currently the origins of the observed reflectivity changes are not well understood. However, due to the complex nature of retinal physiology using purely experimental approaches in this case is problematic. For example fUHROCT is sensitive to small changes in the refractive index of biological tissue which as demonstrated previously, can result from a number of processes such as membrane hyperpolarization, osmotic swelling, metabolic changes, etc. In this paper, we present a computational model of interaction between photoreceptor cells and optical plane wave based on the Finite Integration Technique (FIT).

  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.

  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. A range-dependent propagation model based on a combination of ray theory and plane-wave reflection coefficients

    NASA Astrophysics Data System (ADS)

    Hovem, Jens M.; Knobles, D. P.

    2002-11-01

    The paper describes a range-dependent propagation model based on a combination of range-dependent ray tracing and plane-wave bottom responses. The ray-tracing module of the model determines all the eigenrays between any source/receiver pairs and stores the ray histories. The received wave field is then synthesized by adding the contributions of all the eigenrays, taking into account the reflections from the bottom and the surface. The model can treat arbitrarily varying bottom topography and a layered elastic bottom as long as the layers are parallel. In the current version, the bottom is modeled with a sedimentary layer over an elastic half space, but more complicated structures are easily implemented. The new model has been tested against other models on several benchmark problems and also applied in the analysis and modeling of up-slope and down-slope propagation data recorded on a 52-element center-tapered array that was deployed at two locations about 70 miles east of Jacksonville, FL. The paper presents the results of these tests with an assessment of the potential use in connection with geo-acoustic inversion of range-dependent and elastic scenarios. [Work supported by Applied Research Laboratories, The University of Texas.

  18. Reflection of a plane wave from a two-layered seafloor with non-parallel interface between the layers.

    PubMed

    Papadakis, Panagiotis I; Piperakis, George S; Kalogerakis, Michael A

    2015-02-01

    This work studies the reflection coefficient of a plane wave incident on a seafloor consisting of two layers (sediment and substrate), whose interface is linear but not parallel to the water-sediment interface. This is an extension of the well-established and studied reflection coefficient concept for seafloors with parallel layers. Moreover this study introduces the concept of the Coherent Reflection Coefficient (CRC) that extends the usual Rayleigh reflection coefficient definition not only at the water-sediment interface but inside the water column as well. The mathematical formulation of the CRC is derived and its numerical implementation is explained. Based on this implementation a numerical code is developed and incorporated-among other codes-in a user-friendly graphics toolbox that was built to facilitate CRC calculations. Numerical examples for realistic seafloors are presented and the derived results are compared to similar ones for parallel layers, indicating that even for small inclination angles the reflection coefficient difference between parallel and slanted interface layers is substantial, hence cannot be ignored. An imminent application of the extended seafloor model and the CRC introduced in this work is the enhancement of geophysics inversion schemes for the estimation of the seafloor parameters.

  19. 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.

  20. Nonlocal chaotic phase synchronization

    NASA Astrophysics Data System (ADS)

    Zhan, Meng; Zheng, Zhi-Gang; Hu, Gang; Peng, Xi-Hong

    2000-09-01

    A novel synchronization behavior, nonlocal chaotic phase synchronization, is investigated. For two coupled Rossler oscillators with only one forced by an injected periodic signal, the phase of the unforced oscillator can be locked to the phase of the periodic signal while the forced one is well unlocked by the signal; in a chain of coupled chaotic oscillators with nearest coupling, the phase of an oscillator (or a cluster) can be locked to another nonneighbor one. Moreover, the mechanism underlying the transition to nonlocal synchronization is discussed in detail.

  1. Modified carbon pseudopotential for use in ONIOM calculations of alkyl-substituted metallocenes.

    PubMed

    Lewin, John L; Cramer, Christopher J

    2008-12-18

    Nonrelativistic carbon 1s core pseudopotentials are optimized for substituted cyclopentadienide ring carbons for use in integrated molecular orbital molecular orbital (IMOMO) and integrated molecular orbital molecular mechanics (IMOMM) calculations where the Cp ring substituents are not included in the high-level IMOMO or IMOMM subsystem. Use of the optimized pseudopotential within the IMOMO framework leads to significant improvements in predicted carbonyl stretching frequencies for a series of Cp-ring-methylated zirconocenes compared to using a standard carbon pseudopotential. The technology is less successful in the IMOMM implementation.

  2. A Class of High Order Nonlocal Operators

    NASA Astrophysics Data System (ADS)

    Tian, Xiaochuan; Du, Qiang

    2016-12-01

    We study a class of nonlocal operators that may be seen as high order generalizations of the well known nonlocal diffusion operators. We present properties of the associated nonlocal functionals and nonlocal function spaces including nonlocal versions of Sobolev inequalities such as the nonlocal Poincaré and nonlocal Gagliardo-Nirenberg inequalities. Nonlocal characterizations of high order Sobolev spaces in the spirit of Bourgain-Brezis-Mironescu are provided. Applications of nonlocal calculus of variations to the well-posedness of linear nonlocal models of elastic beams and plates are also considered.

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

    PubMed

    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. Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis set

    NASA Astrophysics Data System (ADS)

    Oberhofer, Harald; Blumberger, Jochen

    2010-12-01

    We present a plane wave basis set implementation for the calculation of electronic coupling matrix elements of electron transfer reactions within the framework of constrained density functional theory (CDFT). Following the work of Wu and Van Voorhis [J. Chem. Phys. 125, 164105 (2006)], the diabatic wavefunctions are approximated by the Kohn-Sham determinants obtained from CDFT calculations, and the coupling matrix element calculated by an efficient integration scheme. Our results for intermolecular electron transfer in small systems agree very well with high-level ab initio calculations based on generalized Mulliken-Hush theory, and with previous local basis set CDFT calculations. The effect of thermal fluctuations on the coupling matrix element is demonstrated for intramolecular electron transfer in the tetrathiafulvalene-diquinone (Q-TTF-Q-) anion. Sampling the electronic coupling along density functional based molecular dynamics trajectories, we find that thermal fluctuations, in particular the slow bending motion of the molecule, can lead to changes in the instantaneous electron transfer rate by more than an order of magnitude. The thermal average, ( {< {| {H_ab } |^2 } > } )^{1/2} = 6.7 {mH}, is significantly higher than the value obtained for the minimum energy structure, | {H_ab } | = 3.8 {mH}. While CDFT in combination with generalized gradient approximation (GGA) functionals describes the intermolecular electron transfer in the studied systems well, exact exchange is required for Q-TTF-Q- in order to obtain coupling matrix elements in agreement with experiment (3.9 mH). The implementation presented opens up the possibility to compute electronic coupling matrix elements for extended systems where donor, acceptor, and the environment are treated at the quantum mechanical (QM) level.

  5. Asymptotic Representation of the Filtration-Wave Field in the Layer of an Inhomogeneous Medium in the Form of a Plane Wave

    NASA Astrophysics Data System (ADS)

    Filippov, A. I.; Akhmetova, O. V.; Koval‧skii, A. A.

    2016-11-01

    The filtration-wave process in the central layer of a three-layer anisotropic medium is described as an equivalent plane wave with a modified asymptotic method accurate in the mean. The initial problem is parametrized and broken down into simpler problems for the coefficients of expansion in an asymptotic parameter. The zero expansion coefficient describes the sought plane wave, whereas the first coefficient ensures refinement of the wave-front geometry. The exact solution of the parametrized problem is obtained on the basis of the Fourier sine transformation. The correctness of the developed method is confirmed by comparing the obtained asymptotic solutions and the coefficients of Maclaurin-series expansion of the exact solution of the parametrized problem in a formal parameter.

  6. The Numerical Synthesis and Inversion of Acoustic Fields Using the Hankel Transform with Application to the Estimation of the Plane Wave Reflection Coefficient of the Ocean Bottom.

    DTIC Science & Technology

    1983-01-01

    r 2) it is not expected that these issues will pose serious problems. It appears that the %7 grid is of fundamental importance in the Hankel... invesion of pressue field data to obtain the parameters of the bottom. In this contwt it is of interest to geophysiciut and others who wih to...RECEIVER HEIGHT COMPENSATION A(k,) Figure V.1.1 The invesion procedure to estimate the plane wave reflection coefficient from the mul field Senerated

  7. 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…

  8. Convergence of many-body wave-function expansions using a plane-wave basis: From homogeneous electron gas to solid state systems

    NASA Astrophysics Data System (ADS)

    Shepherd, James J.; Grüneis, Andreas; Booth, George H.; Kresse, Georg; Alavi, Ali

    2012-07-01

    Using the finite simulation-cell homogeneous electron gas (HEG) as a model, we investigate the convergence of the correlation energy to the complete-basis-set (CBS) limit in methods utilizing plane-wave wave-function expansions. Simple analytic and numerical results from second-order Møller-Plesset theory (MP2) suggest a 1/M decay of the basis-set incompleteness error where M is the number of plane waves used in the calculation, allowing for straightforward extrapolation to the CBS limit. As we shall show, the choice of basis-set truncation when constructing many-electron wave functions is far from obvious, and here we propose several alternatives based on the momentum transfer vector, which greatly improve the rate of convergence. This is demonstrated for a variety of wave-function methods, from MP2 to coupled-cluster doubles theory and the random-phase approximation plus second-order screened exchange. Finite basis-set energies are presented for these methods and compared with exact benchmarks. A transformation can map the orbitals of a general solid state system onto the HEG plane-wave basis and thereby allow application of these methods to more realistic physical problems. We demonstrate this explicitly for solid and molecular lithium hydride.

  9. A pseudopotential model for Dirac electrons in graphene with line defects.

    PubMed

    Ebert, D; Zhukovsky, V Ch; Stepanov, E A

    2014-03-26

    We consider electron transport in a planar fermion model containing various types of line defects modeled by δ-function pseudopotentials with different matrix coefficients. After determining the necessary boundary conditions, the transmission probability for electron transport through the defect line is obtained for various types of pseudopotentials. For the schematic model considered, which may describe a graphene structure with different types of linear defects, the valley polarization is obtained.

  10. 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.

  11. Nonlocal Curvature Flows

    NASA Astrophysics Data System (ADS)

    Chambolle, Antonin; Morini, Massimiliano; Ponsiglione, Marcello

    2015-12-01

    This paper aims at building a unified framework to deal with a wide class of local and nonlocal translation-invariant geometric flows. We introduce a class of nonlocal generalized mean curvatures and prove the existence and uniqueness for the level set formulation of the corresponding geometric flows. We then introduce a class of generalized perimeters, whose first variation is an admissible generalized curvature. Within this class, we implement a minimizing movements scheme and we prove that it approximates the viscosity solution of the corresponding level set PDE. We also describe several examples and applications. Besides recovering and presenting in a unified way existence, uniqueness, and approximation results for several geometric motions already studied and scattered in the literature, the theory developed in this paper also allows us to establish new results.

  12. Revealing hidden genuine tripartite nonlocality

    NASA Astrophysics Data System (ADS)

    Paul, Biswajit; Mukherjee, Kaushiki; Sarkar, Debasis

    2016-11-01

    Nonlocal correlations arising from measurements on tripartite entangled states can be classified into two groups, one genuinely three-way nonlocal and other local with respect to some bipartition. Still, whether a genuinely tripartite entangled quantum state can exhibit genuine three-way nonlocality remains a challenging problem as far as measurement context is concerned. Here we introduce an approach in this regard. We consider three tripartite quantum states, none of which is genuinely three-way nonlocal in a specific Bell scenario (three parties, two measurements per party, two outcomes per measurement), but they can exhibit genuine three-way nonlocality when the initial states are subjected to stochastic local operations and classical communication. So, genuine three-way nonlocality is a resource which can be revealed by using a sequence of measurements.

  13. Acausality in nonlocal gravity theory

    NASA Astrophysics Data System (ADS)

    Zhang, Ying-li; Koyama, Kazuya; Sasaki, Misao; Zhao, Gong-Bo

    2016-03-01

    We investigate the nonlocal gravity theory by deriving nonlocal equations of motion using the traditional variation principle in a homogeneous background. We focus on a class of models with a linear nonlocal modification term in the action. It is found that the resulting equations of motion contain the advanced Green's function, implying that there is an acausality problem. As a consequence, a divergence arises in the solutions due to contributions from the future infinity unless the Universe will go back to the radiation dominated era or become the Minkowski spacetime in the future. We also discuss the relation between the original nonlocal equations and its biscalar-tensor representation and identify the auxiliary fields with the corresponding original nonlocal terms. Finally, we show that the acusality problem cannot be avoided by any function of nonlocal terms in the action.

  14. Second-order Møller-Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set.

    PubMed

    Marsman, M; Grüneis, A; Paier, J; Kresse, G

    2009-05-14

    We present an implementation of the canonical formulation of second-order Møller-Plesset (MP2) perturbation theory within the projector-augmented-wave method under periodic boundary conditions using a plane wave basis set. To demonstrate the accuracy of our approach we show that our result for the atomization energy of a LiH molecule at the Hartree-Fock+MP2 level is in excellent agreement with well converged Gaussian-type-orbital calculations. To establish the feasibility of employing MP2 perturbation theory in its canonical form to systems that are periodic in three dimensions we calculated the cohesive energy of bulk LiH.

  15. A Comparison between Compounding Techniques using Large Beam-Steered Plane Wave Imaging for Blood Vector Velocity Imaging in a Carotid Artery Model.

    PubMed

    Saris, Anne; Hansen, Hendrik; Fekkes, Stein; Nillesen, Maartje; Rutten, Marcel; de Korte, Chris

    2016-09-07

    Conventional color Doppler imaging is limited, since it only provides velocity estimates along the ultrasound beam direction for a restricted field of view at a limited frame rate. High frame rate speckle tracking, using plane wave transmits, has shown potential for 2D blood velocity estimation. However, due to the lack of focusing in transmit, image quality gets reduced, which hampers speckle tracking. Although ultrafast imaging facilitates improved clutter filtering, it still remains a major challenge in blood velocity estimation. Signal drop-outs and poor velocity estimates are still present for high beam-to-flow angles and low blood flow velocities. In this work, ultrafast plane wave imaging was combined with multi-scale speckle tracking to assess the 2D blood velocity vector in a common carotid artery (CCA) flow field. A multi-angled plane wave imaging sequence was used to compare the performance of displacement compounding, coherent compounding and compound speckle tracking. Zero-degree plane wave imaging was also evaluated. The performance of the methods was evaluated before and after clutter filtering for the large range of velocities (0 to 1.5 m/s) that are normally present in a healthy CCA during the cardiac cycle. An extensive simulation study was performed, based on a sophisticated model of the CCA, to investigate and evaluate the performance of the methods at different pulse repetition frequencies and signal-to-noise levels. In vivo data were acquired of a healthy carotid artery bifurcation to support the simulation results. In general, methods utilizing compounding after speckle tracking, i.e., displacement compounding and compound speckle tracking, were least affected by clutter filtering and provided the most robust and accurate estimates for the entire velocity range. Displacement compounding, which uses solely axial information to estimate the velocity vector, provided most accurate velocity estimates, although it required sufficiently high pulse

  16. A Comparison Between Compounding Techniques Using Large Beam-Steered Plane Wave Imaging for Blood Vector Velocity Imaging in a Carotid Artery Model.

    PubMed

    Saris, Anne E C M; Hansen, Hendrik H G; Fekkes, Stein; Nillesen, Maartje M; Rutten, Marcel C M; de Korte, Chris L

    2016-11-01

    Conventional color Doppler imaging is limited, since it only provides velocity estimates along the ultrasound beam direction for a restricted field of view at a limited frame rate. High-frame-rate speckle tracking, using plane wave transmits, has shown potential for 2-D blood velocity estimation. However, due to the lack of focusing in transmit, image quality gets reduced, which hampers speckle tracking. Although ultrafast imaging facilitates improved clutter filtering, it still remains a major challenge in blood velocity estimation. Signal dropouts and poor velocity estimates are still present for high beam-to-flow angles and low blood flow velocities. In this paper, ultrafast plane wave imaging was combined with multiscale speckle tracking to assess the 2-D blood velocity vector in a common carotid artery (CCA) flow field. A multiangled plane wave imaging sequence was used to compare the performance of displacement compounding, coherent compounding, and compound speckle tracking. Zero-degree plane wave imaging was also evaluated. The performance of the methods was evaluated before and after clutter filtering for the large range of velocities (0-1.5 m/s) that are normally present in a healthy CCA during the cardiac cycle. An extensive simulation study was performed, based on a sophisticated model of the CCA, to investigate and evaluate the performance of the methods at different pulse repetition frequencies and signal-to-noise levels. In vivo data were acquired of a healthy carotid artery bifurcation to support the simulation results. In general, methods utilizing compounding after speckle tracking, i.e., displacement compounding and compound speckle tracking, were least affected by clutter filtering and provided the most robust and accurate estimates for the entire velocity range. Displacement compounding, which uses solely axial information to estimate the velocity vector, provided most accurate velocity estimates, although it required sufficiently high pulse

  17. SAR changes in a human head model for plane wave exposure (500 - 2500 MHz) and a comparison with IEEE 2005 safety limits.

    PubMed

    Yelkenci, Tanju; Paker, Selcuk

    2008-01-01

    In this paper, external electric field values that are derived from the largest peak average 10 g SAR (Specific Absorption Rate) results in a realistic human head model are compared with current IEEE and ICNIRP reference levels. The head is illuminated by a plane wave source at seven different frequencies ranging from 500 MHz to 2500 MHz, with five different incident directions and three polarizations. Results reveal that the presence of metallic wire spectacles reduces the external electric field levels in the region above 900 MHz. Comparison of derived electric field values shows that the current IEEE and ICNIRP safety limits provide a conservative estimate.

  18. Nonlocal models in continuum mechanics

    SciTech Connect

    Johnson, N.L.; Phan-Thien, N.

    1993-09-01

    The recent appearance of nonlocal methods is examined in the light of traditional continuum mechanics. A comparison of nonlocal approaches in the fields of solid and fluid mechanics reveals that no consistent definition of a nonlocal theory has been used. We suggest a definition based on the violation of the principle of local action in continuum mechanics. From the consideration of the implications of a nonlocal theory based on this definition, we conclude that constitutive relations with nonlocal terms can confuse the traditional separation of the roles between conservation laws and constitutive relations. The diversity of motivations for the nonlocal approaches are presented, resulting primarily from deficiencies in numerical solutions to practical problems. To illustrate these concepts, the history of nonlocal terms in the field of viscoelastic fluids is reviewed. A specific example of a viscoelastic constitutive relation that contains a stress diffusion term is applied to a simple shear flow and found not to be a physical description of any known fluid. We conclude by listing questions that should be asked of nonlocal approaches.

  19. Randomness and Non-Locality

    NASA Astrophysics Data System (ADS)

    Senno, Gabriel; Bendersky, Ariel; Figueira, Santiago

    2016-07-01

    The concepts of randomness and non-locality are intimately intertwined outcomes of randomly chosen measurements over entangled systems exhibiting non-local correlations are, if we preclude instantaneous influence between distant measurement choices and outcomes, random. In this paper, we survey some recent advances in the knowledge of the interplay between these two important notions from a quantum information science perspective.

  20. Rolling Tachyon in Nonlocal Cosmology

    SciTech Connect

    Joukovskaya, L.

    2007-11-20

    Nonlocal cosmological models derived from String Field Theory are considered. A new method for constructing rolling tachyon solutions in the FRW metric in two field configuration is proposed and solutions of the Friedman equations with nonlocal operator are presented. The cosmological properties of these solutions are discussed.

  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. 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.

  3. Validation of the k-filtering technique for a signal composed of random phase plane waves and non-random coherent structures

    NASA Astrophysics Data System (ADS)

    Roberts, O. W.; Li, X.; Jeska, L.

    2014-08-01

    Recent observations of astrophysical magnetic fields have shown the presence of fluctuations being wave-like (propagating in the plasma frame) and those described as being structure-like (advected by the plasma bulk velocity). Typically with single spacecraft missions it is impossible to differentiate between these two fluctuations, due to the inherent spatio-temporal ambiguity associated with a single point measurement. However missions such as Cluster which contain multiple spacecraft have allowed temporal and spatial changes to be resolved, with techniques such as the k-filtering technique. While this technique does not assume Taylor's hypothesis as is necessary with single spacecraft missions, it does require weak stationarity of the time series, and that the fluctuations can be described by a superposition of plane waves with random phase. In this paper we test whether the method can cope with a synthetic signal which is composed of a combination of non-random phase coherent structures with a mean radius d and a mean separation λ, as well as plane waves with random phase.

  4. Validation of the k-filtering technique for a signal composed of random-phase plane waves and non-random coherent structures

    NASA Astrophysics Data System (ADS)

    Roberts, O. W.; Li, X.; Jeska, L.

    2014-12-01

    Recent observations of astrophysical magnetic fields have shown the presence of fluctuations being wave-like (propagating in the plasma frame) and those described as being structure-like (advected by the plasma bulk velocity). Typically with single-spacecraft missions it is impossible to differentiate between these two fluctuations, due to the inherent spatio-temporal ambiguity associated with a single point measurement. However missions such as Cluster which contain multiple spacecraft have allowed for temporal and spatial changes to be resolved, using techniques such as k filtering. While this technique does not assume Taylor's hypothesis it requires both weak stationarity of the time series and that the fluctuations can be described by a superposition of plane waves with random phases. In this paper we test whether the method can cope with a synthetic signal which is composed of a combination of non-random-phase coherent structures with a mean radius d and a mean separation λ, as well as plane waves with random phase.

  5. Plane wave illumination for correct phase analysis and alternative phase unwrapping in dual-type (transmission and reflection) three-dimensional digital holographic microscopy

    NASA Astrophysics Data System (ADS)

    Kim, Moonseok; Hong, Sukjoon; Shim, Seongbo; Soh, Kwangsup; Shin, Sanghoon; Son, Jung-Young; Lee, Jaesung; Kim, Jaisoon

    2010-05-01

    The digital holographic microscope (DHM) has emerged as a useful tool for verifying the three-dimensional structure of an object. A dual-type inline DHM that can be used with both transmission and reflection imaging in a single device is developed. The proper modes (between transmission and reflection imaging) can be easily changed according to the characteristics of the object in this system. The optimum condition for retrieving the correct phase information is illuminating a plane wave to an object. In contrast to the transmission imaging, it is difficult to illuminate an object using a plane wave without deformations in the reflection imaging. We developed an adequate relay lens module for illumination that can be adapted to any type of microscope objective without significant aberrations in the reflection imaging. The relationship between the illuminating condition and the measured phase based on the wave optics is analyzed. A specially designed and manufactured phase mask is observed in this system, and an alternative method for overcoming the limitation of phase unwrapping is introduced for the inspection of that object.

  6. Extent of multiparticle quantum nonlocality

    SciTech Connect

    Jones, Nick S.; Linden, Noah; Massar, Serge

    2005-04-01

    It is well known that entangled quantum states are nonlocal: the corrrelations between local measurements carried out on these states cannot be reproduced by local hidden variable models. Svetlichny, followed by others, showed that multipartite quantum states are more nonlocal than bipartite ones in the sense that even some nonlocal classical models with (super-luminal) communication between some of the parties cannot reproduce the quantum correlations. Here we study in detail the kinds of nonlocality present in quantum states. More precisely, we enquire what kinds of classical communication patterns cannot reproduce quantum correlations. By studying the extremal points of the space of all multiparty probability distributions, in which all parties can make one of a pair of measurements each with two possible outcomes, we find a necessary condition for classical nonlocal models to reproduce the statistics of all quantum states. This condition extends and generalizes work of Svetlichny and others in which it was showed that a particular class of classical nonlocal models, the 'separable' models, cannot reproduce the statistics of all multiparticle quantum states. Our condition shows that the nonlocality present in some entangled multiparticle quantum states is much stronger than previously thought. We also study the sufficiency of our condition.

  7. 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.

  8. The study of structural phase transitions and static properties using transition metal model pseudopotential (TMMP) for Ca and Sr

    NASA Astrophysics Data System (ADS)

    Rakhecha, Shalu; Bhatt, N. K.; Vyas, P. R.; Gohel, V. B.

    2016-05-01

    In the present communication, we have computed static and dynamic properties (binding energy-E, bulk modulus-B and second moment- <ω2>) as well as first order pressure induced phase transition (FCC-BCC) using local form of pseudopotential for Calcium and Strontium. The form of pseudopotential used for the computation is directly extracted from Generalized Pseudopotential Theory (GPT) which contains three parameters (rc, rd and β). We have suggested a simple method using which pseudopotential is determined by single parameter (β). Our computed results for binding energy and bulk modulii are in excellent agreement with experimental findings and are better than other theoretical results. The present study confirms that s-d hybridization is accounted properly in the presently used pseudopotential and can be extended for the study of lattice mechanical properties of these metals.

  9. 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.

  10. Comment on "comparison of the widely used HF pseudo-potentials: MH + (M = Fe, Ru, Os)"

    NASA Astrophysics Data System (ADS)

    Andrae, Dirk; Dolg, Michael; Stoll, Hermann; Ermler, Walter C.

    1994-04-01

    It is shown through calculations of the ionization energies of the Fe and Ru atoms that errors attributed to pseudo-potential defects in a recent paper by Leininger [Chem. Phys. Letters 205 (1993) 301] are due, instead, to shortcomings of their valence-interaction treatment.

  11. Achieving tunable surface tension in the pseudopotential lattice Boltzmann modeling of multiphase flows

    NASA Astrophysics Data System (ADS)

    Li, Qing; Luo, K. H.

    2013-11-01

    In this paper, we aim to address an important issue about the pseudopotential lattice Boltzmann (LB) model, which has attracted much attention as a mesoscopic model for simulating interfacial dynamics of complex fluids, but suffers from the problem that the surface tension cannot be tuned independently of the density ratio. In the literature, a multirange potential was devised to adjust the surface tension [Sbragaglia , Phys. Rev. EPLEEE81063-651X10.1103/PhysRevE.75.026702 75, 026702 (2007)]. However, it was recently found that the density ratio of the system will be changed when the multirange potential is employed to adjust the surface tension. An alternative approach is therefore proposed in the present work. The basic strategy is to add a source term to the LB equation so as to tune the surface tension of the pseudopotential LB model. The proposed approach can guarantee that the adjustment of the surface tension does not affect the mechanical stability condition of the pseudopotential LB model, and thus provides a separate control of the surface tension and the density ratio. Meanwhile, it still retains the mesoscopic feature and the computational simplicity of the pseudopotential LB model. Numerical simulations are carried out for stationary droplets, capillary waves, and droplet splashing on a thin liquid film. The numerical results demonstrate that the proposed approach is capable of achieving a tunable surface tension over a very wide range and can keep the density ratio unchanged when adjusting the surface tension.

  12. Impact of eigenvalues on the pseudopotential calculation of superconducting parameters of metals Ga, Cd and In

    NASA Astrophysics Data System (ADS)

    Yadav, Jayprakash; Rafique, S. M.; Kumari, Shanti

    2009-10-01

    In the present paper some superconducting (SC) state parameters of metals Ga, Cd and In have been studied through Harrison's First Principle [HFP] pseudopotential technique using McMillan's formalism. The impact of choosing two different sets of core energy eigenvalues viz. Herman-Skillman and Clementi (or Experimental) has been studied.

  13. 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.

  14. 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.

  15. THE PHYSICS OF ELEMENTARY PARTICLES AND FIELDS: Time-domain analytic solutions of two-wire transmission line excited by a plane-wave field

    NASA Astrophysics Data System (ADS)

    Ni, Gu-Yan; Yan, Li; Yuan, Nai-Chang

    2008-10-01

    This paper reports that an analytic method is used to calculate the load responses of the two-wire transmission line excited by a plane-wave directly in the time domain. By the frequency-domain Baum-Liu-Tesche (BLT) equation, the time-domain analytic solutions are obtained and expressed in an infinite geometric series. Moreover, it is shown that there exist only finite nonzero terms in the infinite geometric series if the time variate is at a finite interval. In other word, the time-domain analytic solutions are expanded in a finite geometric series indeed if the time variate is at a finite interval. The computed results are subsequently compared with transient responses obtained by using the frequency-domain BLT equation via a fast Fourier transform, and the agreement is excellent.

  16. 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.

  17. 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.

  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. 4D in-vivo ultrafast ultrasound imaging using a row-column addressed matrix and coherently-compounded orthogonal plane waves.

    PubMed

    Flesch, Martin; Pernot, Mathieu; Provost, Jean; Ferin, Guillaume; Nguyen-Dinh, An; Tanter, Mickael; Deffieux, Thomas

    2017-03-01

    4D ultrafast ultrasound imaging was recently shown using a 2D matrix (i.e., fully populated) connected to a 1024-channel ultrafast ultrasound scanner. In this study, we investigate the Row-Column Addressing (RCA) matrix approach, which allows a reduction of independent channels from N x N to N + N, with a dedicated beamforming strategy for ultrafast ultrasound imaging based on the coherent compounding of Orthogonal Plane Wave (OPW). OPW is based on coherent compounding of plane wave transmissions in one direction with receive beamforming along the orthogonal direction and its orthogonal companion sequence. Such coherent recombination of complementary orthogonal sequences leads to virtual transmit focusing in both directions which results into a final isotropic Point Spread Function (PSF). In this study, a 32 x 32 2D matrix array probe (1024 channels), centered at 5 MHz was considered. An RCA array, of same footprint with 32 + 32 elements (64 channels), was emulated by summing the elements either along a line or a column in software prior to beamforming. This approach allowed for the direct comparison of the 32 + 32 RCA scheme to the optimal fully sampled 32 x 32 2D matrix configuration, which served as the gold standard. This approach was first studied through PSF simulations and then validated experimentally on a phantom consisting of anechoic cysts and echogenic wires. The Contrast-to-Noise Ratio (CNR) and the lateral resolution of the RCA approach were found to be approximately equal to half (in decibel) and twice the values, respectively, obtained when using the 2D matrix approach. Results in a Doppler phantom and the human humeral artery in vivo confirmed that OPW compound imaging using emulated RCA matrix can achieve a power Doppler with sufficient contrast to recover the vein shape and provides an accurate Doppler spectrum.

  20. 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.

  1. Nonlocal Anomalous Hall Effect.

    PubMed

    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.

  2. 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.

  3. 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

  4. 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.

  5. Accurate and efficient computation of nonlocal potentials based on Gaussian-sum approximation

    NASA Astrophysics Data System (ADS)

    Exl, Lukas; Mauser, Norbert J.; Zhang, Yong

    2016-12-01

    We introduce an accurate and efficient method for the numerical evaluation of nonlocal potentials, including the 3D/2D Coulomb, 2D Poisson and 3D dipole-dipole potentials. Our method is based on a Gaussian-sum approximation of the singular convolution kernel combined with a Taylor expansion of the density. Starting from the convolution formulation of the nonlocal potential, for smooth and fast decaying densities, we make a full use of the Fourier pseudospectral (plane wave) approximation of the density and a separable Gaussian-sum approximation of the kernel in an interval where the singularity (the origin) is excluded. The potential is separated into a regular integral and a near-field singular correction integral. The first is computed with the Fourier pseudospectral method, while the latter is well resolved utilizing a low-order Taylor expansion of the density. Both parts are accelerated by fast Fourier transforms (FFT). The method is accurate (14-16 digits), efficient (O (Nlog ⁡ N) complexity), low in storage, easily adaptable to other different kernels, applicable for anisotropic densities and highly parallelizable.

  6. 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.

  7. Generating tripartite nonlocality from bipartite resources

    NASA Astrophysics Data System (ADS)

    Su, Zhaofeng

    2017-01-01

    Nonlocality is an important resource for quantum information processing. Tripartite nonlocality is more difficult to produce in experiments than bipartite ones. In this paper, we analyze a simple setting to generate tripartite nonlocality from two classes of bipartite resources, namely two-qubit entangled pure states and Werner states. Upper bounds on the tripartite nonlocality, characterized by the maximal violation of Svetlichny inequalities, are given, and the optimal measurements to achieve these bounds are provided.

  8. Multipseudopotential interaction: a solution for thermodynamic inconsistency in pseudopotential lattice Boltzmann models.

    PubMed

    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.

  9. Cryptographic quantum bound on nonlocality

    NASA Astrophysics Data System (ADS)

    Ishizaka, Satoshi

    2017-02-01

    Information causality states that the information obtainable by a receiver cannot be greater than the communication bits from a sender, even if they utilize no-signaling resources. This physical principle successfully explains some boundaries between quantum and postquantum nonlocal correlations, where the obtainable information reaches the maximum limit. We show that no-signaling resources of pure partially entangled states produce randomness (or noise) in the communication bits, and achievement of the maximum limit is impossible, i.e., the information causality principle is insufficient for the full identification of the quantum boundaries already for bipartite settings. The nonlocality inequalities such as so-called the Tsirelson inequality are extended to show how such randomness affects the strength of nonlocal correlations. As a result, a relation followed by most of quantum correlations in the simplest Bell scenario is revealed. The extended inequalities reflect the cryptographic principle such that a completely scrambled message cannot carry information.

  10. Simulation of the temperature elevation in children exposed to plane wave electromagnetic fields (10 MHz-1 GHz) at the ICNIRP reference level.

    PubMed

    Niedermayr, Florian; Leitgeb, Norbert; Siegl, Werner

    2012-05-31

    Because of a lack of thermal models, to date, limitation of exposure to an electromagnetic field (EMF) has been based on restricting intracorporal specific absorption rates. To allow convenient compliance checks, reference field values have been defined. If they are met, compliance with basic restrictions is assumed. This article demonstrates that this assumption is not valid in every case. It has therefore been investigated as to whether the biological goal of limiting tissue heating is still met, in particular with regard to children. The thermal solver applied is based on the bioheat equation, with implemented additional improvements that allow consideration of blood flow and metabolic rate as a function of local tissue temperature rise and, in addition, adapt the blood temperature relative to the absorbed power. As a further improvement, heat exchange at the tissue/air boundary has been modeled, with radiation, convection, and sweating considered as well. The mathematical equations describing these additional thermoregulatory mechanisms were taken from the literature and unified in the thermoregulatory model used for this study. For the investigated case of plane wave exposure, the results confirm the violation of the basic restrictions in five of the six models when exposed to reference EMF levels. However, using thermal modeling, it was possible to demonstrate that heating remained within the biological tolerances. In particular, temperature elevation of the body core temperature remained <0.014°C and the local peak temperature did not exceed 1°C.

  11. A Full-Potential Linearized Augmented Plane-Wave Method for Calculating Transport Properties: Application to Fe/MgO/Fe Tunnel Junctions

    NASA Astrophysics Data System (ADS)

    Bluegel, Stefan

    2005-03-01

    In order to calculate on the basis of the single particle picture as provided by the density-functional theory (DFT), the spin-dependent tunneling through barriers and interfaces of materials with increasing chemical and structural complexity, an extention of the full-potential linearized augmented plane- wave method (FLAPW) as realized in the FLEUR code is introduced. The volume in which the electrons scatter is sandwiched between two semi-infinite leads. The leads and the scattering volume are described by an embedding Green function formalism. Different scenarios of electron transport such as sequential and coherent tunneling is formulated and will be compared. Several applications will be presented. The method is used to understand the spin-polarized scanning tunneling microscope. For a three- layer heterosystem SrRuO3/SrTiO3/SrRuO3, the effect of different orbital characters of the states at the Fermi level on the tunneling conductance was investigated. The main focus is on the Fe/MgO/Fe system for which we show that very small changes at the interface can have drastic effects on the conductance.

  12. Performance of plane-wave-based LDA+U and GGA+U approaches to describe magnetic coupling in molecular systems.

    PubMed

    Rivero, Pablo; Loschen, Christoph; Moreira, Ibério De P R; Illas, Francesc

    2009-11-15

    This work explores the performance of periodic plane wave density functional theory calculations with an on-site Coulomb correction to the standard LDA and GGA exchange-correlation potential--commonly used to describe strongly correlated solids--in describing the magnetic coupling constant of a series of molecular compounds representative of dinuclear Cu complexes and of organic diradicals. The resulting LDA+U or GGA+U formalisms, lead to results comparable to experiment and to those obtained by means of standard hybrid functionals provided that the value of the U parameter is adequately chosen. Hence, these methods offer an alternative efficient computational scheme to correct LDA and GGA approaches to adequately describe the electronic structure and magnetic coupling in large molecular magnetic systems, although at the expenses of introducing an empirical (U) parameter. For all investigated copper dinuclear systems, the LDA+U and GGA+U approaches lead to an improvement in the description of magnetic properties over the original LDA and GGA schemes with an accuracy similar to that arising from the hybrid B3LYP functional, by increasing the on-site Coulomb repulsion with a moderate U value. Nevertheless, the introduction of an arbitrary U value in the 0-10 eV range most often provides the correct ground-state spin distribution and the correct sign of the magnetic coupling constant.

  13. 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.

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

    PubMed

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

    2015-06-09

    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.

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

    NASA Astrophysics Data System (ADS)

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

    2015-06-01

    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.

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

    PubMed

    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 microm.

  17. Derivation of force field parameters for SnO2-H2O surface systems from plane-wave density functional theory calculations.

    PubMed

    Bandura, A V; Sofo, J O; Kubicki, J D

    2006-04-27

    Plane-wave density functional theory (DFT-PW) calculations were performed on bulk SnO2 (cassiterite) and the (100), (110), (001), and (101) surfaces with and without H2O present. A classical interatomic force field has been developed to describe bulk SnO2 and SnO2-H2O surface interactions. Periodic density functional theory calculations using the program VASP (Kresse et al., 1996) and molecular cluster calculations using Gaussian 03 (Frisch et al., 2003) were used to derive the parametrization of the force field. The program GULP (Gale, 1997) was used to optimize parameters to reproduce experimental and ab initio results. The experimental crystal structure and elastic constants of SnO2 are reproduced reasonably well with the force field. Furthermore, surface atom relaxations and structures of adsorbed H2O molecules agree well between the ab initio and force field predictions. H2O addition above that required to form a monolayer results in consistent structures between the DFT-PW and classical force field results as well.

  18. Improving the accuracy of ground-state correlation energies within a plane-wave basis set: The electron-hole exchange kernel

    NASA Astrophysics Data System (ADS)

    Dixit, Anant; Ángyán, János G.; Rocca, Dario

    2016-09-01

    A new formalism was recently proposed to improve random phase approximation (RPA) correlation energies by including approximate exchange effects [B. Mussard et al., J. Chem. Theory Comput. 12, 2191 (2016)]. Within this framework, by keeping only the electron-hole contributions to the exchange kernel, two approximations can be obtained: An adiabatic connection analog of the second order screened exchange (AC-SOSEX) and an approximate electron-hole time-dependent Hartree-Fock (eh-TDHF). Here we show how this formalism is suitable for an efficient implementation within the plane-wave basis set. The response functions involved in the AC-SOSEX and eh-TDHF equations can indeed be compactly represented by an auxiliary basis set obtained from the diagonalization of an approximate dielectric matrix. Additionally, the explicit calculation of unoccupied states can be avoided by using density functional perturbation theory techniques and the matrix elements of dynamical response functions can be efficiently computed by applying the Lanczos algorithm. As shown by several applications to reaction energies and weakly bound dimers, the inclusion of the electron-hole kernel significantly improves the accuracy of ground-state correlation energies with respect to RPA and semi-local functionals.

  19. Detailed 3-D S-wave velocity beneath the High Lava Plains, Oregon, from 2-plane-wave Rayleigh wave inversions

    NASA Astrophysics Data System (ADS)

    Wagner, L. S.; Forsyth, D. W.; Fouch, M. J.; James, D. E.

    2009-12-01

    The High Lava Plains (HLP) of eastern Oregon represent an unusual track of bimodal volcanism extending from the southeastern-most corner of the state to its current position beneath the Newberry Volcano on the eastern margin of the Cascades. The silicic volcanism is time progressive along this track, beginning some 15 Ma near the Owyhee plateau and then trending to the north east. The timing and location of the start of the HLP coincides with that of the initial volcanism associated with the Yellowstone/Snake River Plain track (YSRP). While the YSRP has often been interpreted as the classic intra-continental hot spot track, the HLP, which trends almost normal to absolute plate motion, is harder to explain. This study uses the 100+ stations associated with the HLP seismic deployment together with another ~100 Earthscope Transportable Array stations (TA) to perform a high resolution inversion for Rayleigh wave phase velocities using the 2-plane-wave methodology of Forsyth and Li (2004). Because of the comparatively small grid spacing of this study, we are able to discern much finer scale structures than studies looking at the entire western U.S. with only TA stations. Preliminary results indicate very low velocities across the study area, especially at upper mantle depths. Especially low velocities are seen beneath the Owyhee plateau and along both the HLP and YSRP tracks. Final details about the exact geometries of these features will help constrain possible scenarios for the formation of the HLP volcanic sequence.

  20. 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…

  1. Nonlocal response of hyperbolic metasurfaces.

    PubMed

    Correas-Serrano, D; Gomez-Diaz, J S; Tymchenko, M; Alù, A

    2015-11-16

    We analyze and model the nonlocal response of ultrathin hyperbolic metasurfaces (HMTSs) by applying an effective medium approach. We show that the intrinsic spatial dispersion in the materials employed to realize the metasurfaces imposes a wavenumber cutoff on the hyperbolic isofrequency contour, inversely proportional to the Fermi velocity, and we compare it with the cutoff arising from the structure granularity. In the particular case of HTMSs implemented by an array of graphene nanostrips, we find that graphene nonlocality can become the dominant mechanism that closes the hyperbolic contour - imposing a wavenumber cutoff at around 300k(0) - in realistic configurations with periodicity L<π/(300k(0)), thus providing a practical design rule to implement HMTSs at THz and infrared frequencies. In contrast, more common plasmonic materials, such as noble metals, operate at much higher frequencies, and therefore their intrinsic nonlocal response is mainly relevant in hyperbolic metasurfaces and metamaterials with periodicity below a few nm, being very weak in practical scenarios. In addition, we investigate how spatial dispersion affects the spontaneous emission rate of emitters located close to HMTSs. Our results establish an upper bound set by nonlocality to the maximum field confinement and light-matter interactions achievable in practical HMTSs, and may find application in the practical development of hyperlenses, sensors and on-chip networks.

  2. 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.

  3. Quantum nonlocality does not exist.

    PubMed

    Tipler, Frank J

    2014-08-05

    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.

  4. Third-order analysis of pseudopotential lattice Boltzmann model for multiphase flow

    NASA Astrophysics Data System (ADS)

    Huang, Rongzong; Wu, Huiying

    2016-12-01

    In this work, a third-order Chapman-Enskog analysis of the multiple-relaxation-time (MRT) pseudopotential lattice Boltzmann (LB) model for multiphase flow is performed for the first time. The leading terms on the interaction force, consisting of an anisotropic and an isotropic term, are successfully identified in the third-order macroscopic equation recovered by the lattice Boltzmann equation (LBE), and then new mathematical insights into the pseudopotential LB model are provided. For the third-order anisotropic term, numerical tests show that it can cause the stationary droplet to become out-of-round, which suggests the isotropic property of the LBE needs to be seriously considered in the pseudopotential LB model. By adopting the classical equilibrium moment or setting the so-called "magic" parameter to 1/12, the anisotropic term can be eliminated, which is found from the present third-order analysis and also validated numerically. As for the third-order isotropic term, when and only when it is considered, accurate continuum form pressure tensor can be definitely obtained, by which the predicted coexistence densities always agree well with the numerical results. Compared with this continuum form pressure tensor, the classical discrete form pressure tensor is accurate only when the isotropic term is a specific one. At last, in the framework of the present third-order analysis, a consistent scheme for third-order additional term is proposed, which can be used to independently adjust the coexistence densities and surface tension. Numerical tests are subsequently carried out to validate the present scheme.

  5. Simulation of evaporation by an extension of the pseudopotential lattice Boltzmann method: a quantitative analysis.

    PubMed

    Márkus, Attila; Házi, Gábor

    2011-04-01

    An extension of the pseudopotential lattice Boltzmann method is introduced to simulate heat transfer problems involving phase transition. Using this model, evaporation through a plane interface and two-phase Poiseuille flow were simulated and the macroscopic jump conditions were utilized to evaluate the accuracy of the method. We have found that the simulation results are in very good agreement with the analytical solutions as far as we take into account the extent of the interface during the evaluation. Using the same model heterogeneous boiling was simulated taking into account the geometry of a cavity and the important features of the boiling process could be observed in the simulation results.

  6. Band structure calculation of GaSe-based nanostructures using empirical pseudopotential method

    NASA Astrophysics Data System (ADS)

    Osadchy, A. V.; Volotovskiy, S. G.; Obraztsova, E. D.; Savin, V. V.; Golovashkin, D. L.

    2016-08-01

    In this paper we present the results of band structure computer simulation of GaSe- based nanostructures using the empirical pseudopotential method. Calculations were performed using a specially developed software that allows performing simulations using cluster computing. Application of this method significantly reduces the demands on computing resources compared to traditional approaches based on ab-initio techniques and provides receiving the adequate comparable results. The use of cluster computing allows to obtain information for structures that require an explicit account of a significant number of atoms, such as quantum dots and quantum pillars.

  7. Simulating contrast inversion in atomic force microscopy imaging with real-space pseudopotentials

    NASA Astrophysics Data System (ADS)

    Lee, Alex J.; Sakai, Yuki; Chelikowsky, James R.

    2017-02-01

    Atomic force microscopy (AFM) measurements have reported contrast inversions for systems such as Cu2N and graphene that can hamper image interpretation and characterization. Here, we apply a simulation method based on ab initio real-space pseudopotentials to gain an understanding of the tip-sample interactions that influence the inversion. We find that chemically reactive tips induce an attractive binding force that results in the contrast inversion. We find that the inversion is tip height dependent and not observed when using less reactive CO-functionalized tips.

  8. 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.

  9. Full-potential linearized augmented plane-wave method for one-dimensional systems: Gold nanowire and iron monowires in a gold tube

    NASA Astrophysics Data System (ADS)

    Mokrousov, Y.; Bihlmayer, G.; Blügel, S.

    2005-07-01

    We present an implementation of the full-potential linearized augmented plane-wave (FLAPW) method for carrying out ab initio calculations of the ground state electronic properties of (magnetic) metallic nanowires and nanotubes based on the density-functional theory (DFT). The method is truly one-dimensional, uses explicitly a wire geometry and is realized as an extension of the FLEUR code. It includes a wide variety of chiral symmetries known for tubular and other one-dimensional systems. A comparative study shows that in this geometry computations are considerably faster than the widely used supercell approach. The method was applied to some typical model structures explored in the field of nanospintronics: the gold nanowire Au(6,0), the free-standing Fe monowire, and the hybrid structure Fe@Au(6,0). Their atomic structures are determined by total energy minimization and force calculations. We calculated the magnetic properties including the magnetocrystalline anisotropy energies, the band structures, and densities of states in these systems using the local density approximation (LDA) and the generalized gradient approximation (GGA) to the DFT. The results agree nicely with the data available in the literature. We found that Fe wires are ferromagnetic and are prone to a Peierls dimerization. The Fe filled gold nanotube shows a large negative spin polarization at the Fermi level, which makes this structure a possible candidate for spin-dependent transport applications in the field of spintronics. The Au tube encasing the Fe wire changes the magnetization direction of the Fe wire and increases the magnetocrystalline anisotropy energy by an order of magnitude.

  10. 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.

  11. 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.

  12. Non-Local Euclidean Medians.

    PubMed

    Chaudhury, Kunal N; Singer, Amit

    2012-11-01

    In this letter, we note that the denoising performance of Non-Local Means (NLM) can be improved at large noise levels by replacing the mean by the Euclidean median. We call this new denoising algorithm the Non-Local Euclidean Medians (NLEM). At the heart of NLEM is the observation that the median is more robust to outliers than the mean. In particular, we provide a simple geometric insight that explains why NLEM performs better than NLM in the vicinity of edges, particularly at large noise levels. NLEM can be efficiently implemented using iteratively reweighted least squares, and its computational complexity is comparable to that of NLM. We provide some preliminary results to study the proposed algorithm and to compare it with NLM.

  13. 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.

  14. Nonlocal distillation based on multisetting Bell inequality

    NASA Astrophysics Data System (ADS)

    Ye, Xiang-Jun; Deng, Dong-Ling; Chen, Jing-Ling

    2012-12-01

    Inspired by the recent works of Foster [Phys. Rev. Lett.0031-900710.1103/PhysRevLett.102.120401 102, 120401 (2009)] and Brunner [Phys. Rev. Lett.0031-900710.1103/PhysRevLett.102.160403 102, 160403 (2009)], we present a nonlocality distillation protocol for two three-level (qutrit) systems in the framework of generalized nonsignaling theories. Our protocol is based on a three-setting Bell inequality. It works efficiently for a specific class of three-input-three-output nonlocal boxes. In the asymptotic limit, all these nonlocal boxes can be distilled to the maximally nonlocal box defined by the inequality and nonsignaling constraints. Then we introduce a contracting protocol that reduces these boxes to the so-called “correlated nonlocal boxes.” As a result, our three-input-three-output nonlocal boxes also make communication complexity trivial and appear very unlikely to exist in nature.

  15. 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

  16. 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.

  17. Determination of structure and acidity scales in zeolite systems by ab initio and pseudopotential calculations

    SciTech Connect

    Kassab, E.; Seiti, K.; Allavena, M.

    1988-11-17

    SCF ab initio calculations at the 6-31G level have been used to investigate the structure of several aggregates simulating some of the proton donor sites within faujasite-type zeolites. The Si(OH)/sub 4/, H/sub 3/SiOHAlH/sub 3/, and (OH)/sub 3/SiOHAl(OH)/sub 3/ clusters have been successively examined. Deprotonation energies and charge distribution are determined at a higher level by using a 6-31G basis set augmented with polarization and diffuse functions. The results are compared with values obtained by using pseudopotential methods. The small differences between the two sets of results demonstrate that comparable accuracy should be expected from both procedures. Finally, deprotonation energies of (OH)/sub 3/T/sub 1/OHT/sub 2/(OH)/sub 3/ aggregates (T/sub 1/, T/sub 2/ = AlSi, BSi, GaSi; AlGe, BGe, GaGe) are calculated by using pseudopotential methods and compared with the results given by the semiempirical MNDO method. In some cases ab initio SCF calculations were also performed. The results confirm that the inclusion of boron atom lowers the acidity as already demonstrated by experimental investigation. The effects due to the inclusion of Ga are discussed and compared to available experimental data.

  18. Self-consistent pseudopotentials in the thermodynamic limit. II. The state-dependent one-body field

    NASA Astrophysics Data System (ADS)

    Hernández, E. S.; Plastino, A.; Szybisz, L.

    1980-07-01

    We explore the concept of the pseudopotential, introduced in a previous paper, within the context of the exact boundary condition for a system of fermions interacting through a pair-wise, hard-core potential, in the thermodynamic limit. We discuss several Ansätze for the Lagrange multipliers that allow the inclusion of the boundary conditions into the variational principle. It is found that under a given Ansatz, a dynamical, microscopic interpretation of the pseudopotential can be put forward. A comparison between this situation and the coherent approximation induced by the use of the correlation function is also presented. NUCLEAR STRUCTURE Hard-core interactions, boundary condition, variational principle constrained Hartree-Fock problem; Ansatz, structure of the pseudopotential, state dependence.

  19. Nonlocality and entanglement in the XY model

    SciTech Connect

    Batle, J.; Casas, M.

    2010-12-15

    Nonlocality and quantum entanglement constitute two special features of quantum systems of paramount importance in quantum-information theory (QIT). Essentially regarded as identical or equivalent for many years, they constitute different concepts. Describing nonlocality by means of the maximal violation of two Bell inequalities, we study both entanglement and nonlocality for two and three spins in the XY model. Our results shed light on the description of nonlocality and the possible information-theoretic task limitations of entanglement in an infinite quantum system.

  20. 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.

  1. 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.

  2. 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.

  3. Pseudopotential and full-electron DFT calculations of thermodynamic properties of electrons in metals and semiempirical equations of state.

    PubMed

    Levashov, P R; Sin'ko, G V; Smirnov, N A; Minakov, D V; Shemyakin, O P; Khishchenko, K V

    2010-12-22

    In the present work, we compare the thermal contribution of electrons to thermodynamic functions of metals in different models at high densities and electron temperatures. One of the theoretical approaches, the full-potential linear-muffin-tin-orbital method, treats all electrons in the framework of density functional theory (DFT). The other approach, VASP, uses projector-augmented-wave pseudopotentials for the core electrons and considers the valent electrons also in the context of DFT. We analyze the limitations of the pseudopotential approach and compare the DFT results with a finite-temperature Thomas-Fermi model and two semiempirical equations of state.

  4. Comparison of Heine-Abarenkov and alternative pseudopotentials for electron-phonon interaction in aluminium, lead, lithium and calcium

    NASA Astrophysics Data System (ADS)

    Zheng, X. H.; Walmsley, D. G.

    2017-01-01

    Applying the Heine-Abarenkov pseudopotential to aluminium and lead in both the superconducting and normal states, Carbotte and coworkers have set a challenging standard befitting the status of the classic BCS superconductor theory. Upholding the same standard and equipped with the technique of numerical inversion, we have extracted alternative pseudopotentials from experimental data with minimal prejudgement that might cloud the physics. The two potentials are broadly consistent in the superconducting state but distinctly different in the normal state. This is an urgent issue requiring confirmation or refutation in the context of the current search for high temperature conventional superconductivity.

  5. Plasma instabilities observed in the E region over Arecibo and a proposed nonlocal theory

    NASA Astrophysics Data System (ADS)

    Rosado-Román, José M.; Swartz, Wesley E.; Farley, Donald T.

    2004-11-01

    We describe simultaneous radar observations made with the Cornell University Portable Radar Interferometer (CUPRI) at 50 MHz and the Arecibo incoherent scatter radar (ISR) at 430 MHz during the El Coquí campaign of 1992 in Puerto Rico. The goal was to study the plasma instabilities that cause coherent radar backscatter from the E region at mid-latitudes. The common volume data reveal that the coherent CUPRI echoes come from sporadic-E layers that exhibit no obvious gravity wave modulation but possess high densities and sharp gradients. The echoes with positive (negative) Doppler shifts, i.e. eastward (westward) plasma wave phase velocities, come from the top (bottom) of the layer, in agreement with simple local equatorial gradient-drift instability theory, even though this theory is not valid at mid-latitudes, where nonlocal shorting effects along magnetic field lines play a crucial role. We have developed a nonlocal theory that takes these effects into account. Our theory, which is discussed in detail in a companion paper, does not invoke any unusual layer geometry, in contrast to the ideas proposed in several papers in recent years. The unstable eigenmodes are a sum of plane waves with k-vectors having a small component parallel to the geomagnetic field, such that the modes are confined primarily to either the top or bottom of the layer, depending on the driving electric field. The direction of these k-vectors deviates from normal to the magnetic field by at most a few tenths of a degree. The k-vectors are also approximately aligned with the E×B drift. While both the density and potential fluctuations peak in amplitude on the unstable side of the layer, the density peak is closer to the maximum of the layer than is the potential peak. We do not in this paper deal with the "quasi-periodic" or QP nature of the radar echoes that is sometimes, but certainly not always, seen.

  6. Complete band gaps including non-local effects occur only in the relaxed micromorphic model

    NASA Astrophysics Data System (ADS)

    Madeo, Angela; Neff, Patrizio; d'Agostino, Marco Valerio; Barbagallo, Gabriele

    2016-11-01

    In this paper, we substantiate the claim implicitly made in previous works that the relaxed micromorphic model is the only linear, isotropic, reversibly elastic, nonlocal generalized continuum model able to describe complete band-gaps on a phenomenological level. To this end, we recapitulate the response of the standard Mindlin-Eringen micromorphic model with the full micro-distortion gradient ∇P, the relaxed micromorphic model depending only on the Curl P of the micro-distortion P, and a variant of the standard micromorphic model, in which the curvature depends only on the divergence Div P of the micro distortion. The Div-model has size-effects, but the dispersion analysis for plane waves shows the incapability of that model to even produce a partial band gap. Combining the curvature to depend quadratically on Div P and Curl P shows that such a model is similar to the standard Mindlin-Eringen model, which can eventually show only a partial band gap.

  7. Nonlocal thermal transport in solar flares

    NASA Technical Reports Server (NTRS)

    Karpen, Judith T.; Devore, C. Richard

    1987-01-01

    A flaring solar atmosphere is modeled assuming classical thermal transport, locally limited thermal transport, and nonlocal thermal transport. The classical, local, and nonlocal expressions for the heat flux yield significantly different temperature, density, and velocity profiles throughout the rise phase of the flare. Evaporation of chromospheric material begins earlier in the nonlocal case than in the classical or local calculations, but reaches much lower upward velocities. Much higher coronal temperatures are achieved in the nonlocal calculations owing to the combined effects of delocalization and flux limiting. The peak velocity and momentum are roughly the same in all three cases. A more impulsive energy release influences the evolution of the nonlocal model more than the classical and locally limited cases.

  8. 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.

  9. 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).

  10. Size dependence of structural stability and magnetization of nickel clusters from real-space pseudopotentials

    NASA Astrophysics Data System (ADS)

    Sakurai, Masahiro; Souto-Casares, Jaime; Chelikowsky, James R.

    2016-07-01

    We examine the structural stability and magnetization for nickel clusters containing up to 500 atoms by performing first-principles calculations based on pseudopotential in real space computed within density-functional theory. After structural relaxation, Ni clusters in this size range favor either an fcc structure, which is a crystal structure in bulk, or an icosahedral structure, which is expected for small clusters. The calculated total magnetic moments per atom of energetically stable clusters agree well with experiment, wherein the moments decrease nonmonotonically toward the bulk value as the cluster size increases. We analyze the spatial distribution of the local magnetic moment, which explains why the magnetic moments of Ni clusters are enhanced compared to their bulk value.

  11. 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)

  12. Percolation transitions with nonlocal constraint.

    PubMed

    Shim, Pyoung-Seop; Lee, Hyun Keun; Noh, Jae Dong

    2012-09-01

    We investigate percolation transitions in a nonlocal network model numerically. In this model, each node has an exclusive partner and a link is forbidden between two nodes whose r-neighbors share any exclusive pair. The r-neighbor of a node x is defined as a set of at most N(r) neighbors of x, where N is the total number of nodes. The parameter r controls the strength of a nonlocal effect. The system is found to undergo a percolation transition belonging to the mean-field universality class for r<1/2. On the other hand, for r>1/2, the system undergoes a peculiar phase transition from a nonpercolating phase to a quasicritical phase where the largest cluster size G scales as G~N(α) with α=0.74(1). In the marginal case with r=1/2, the model displays a percolation transition that does not belong to the mean-field universality class.

  13. Pseudopotential Calculations of Band Gaps and Band Edges of Short-Period (InAs)n/(GaSb)m Superlattices with Different Substrates, Layer Orientations and Interfacial Bonds

    SciTech Connect

    Piquini, P.; Zunger, A.; Magri, R.

    2008-01-01

    The band edges and band gaps of (InAs){sub n}/(GaSb){sub m} (n,m=1,20) superlattices have been theoretically studied through the plane-wave empirical pseudopotential method for different situations: (i) different substrates, GaSb and InAs; (ii) different point group symmetries, C{sub 2v} and D{sub 2d}; and (iii) different growth directions, (001) and (110). We find that (a) the band gaps for the (001) C{sub 2v} superlattices on a GaSb substrate exhibit a nonmonotonic behavior as a function of the GaSb barrier thickness when the number of (InAs){sub n} layers exceed n=5; (b) substrate effects: compared with the GaSb substrate, the different strain field generated by the InAs substrate leads to a larger variation of the band gaps for the (001) C{sub 2v} superlattices as a function of the InAs well thickness; (c) effect of the type of interfacial bonds: the In-Sb bonds at the interfaces of the (001) D{sub 2d} superlattices partially pin the band edge states, reducing the influence of the confinement effects on electrons and holes, and lowering the band gaps as compared to the (001) C{sub 2v} case. The valence band maximum of the (001) D{sub 2d} superlattices with Ga-As bonds at the interfaces are shifted down, increasing the band gaps as compared to the (001) C{sub 2v} case; (d) effect of layer orientation: the presence of In-Sb bonds at both interfaces of the (110) superlattices pin the band edge states and reduces the band gaps, as compared to the (001) C{sub 2v} case. An anticrossing between the electron and hole levels in the (110) superlattices, for thin GaSb and thick InAs layers, leads to an increase of the band gaps, as a function of the InAs thickness; (e) superlattices vs random alloys: the comparison between the band edges and band gaps of the superlattices on a GaSb substrate and those for random alloys, lattice matched to a GaSb substrate, as a function of the In composition, shows that the random alloys present almost always higher band gaps and give a

  14. 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.

  15. MHD Model Estimates of the Contribution of Driven, Linear, Non-Plane Wave Dissipation to Chromospheric Heating Using a Complete Electrical Conductivity Tensor

    NASA Astrophysics Data System (ADS)

    Goodman, M. L.

    2008-12-01

    Analytic solutions of an MHD model that includes an anisotropic, inhomogeneous electrical conductivity tensor containing Hall, Pedersen, and Spitzer conductivities are used to compute resistive heating rates as a function of height z from the photosphere to the lower corona due to dissipation of driven, linear, non- plane waves. The background state of the atmosphere is assumed to be an FAL atmosphere. This state is linearly perturbed by a harmonic perturbation of frequency ν. The height dependence of the perturbation in the presence of the inhomogeneous background state is determined by solving the MHD equations given the harmonic, horizontal, driving magnetic field Bx1 at the photosphere, the constant vertical magnetic field Bz, and the magnetic field strength Bcond(z) that enters the electrical conductivity tensor. The variation of the heating rates per unit volume and mass with ν, Bx1, and Bcond(0) are determined. The heating rates are found to be ∝ Bcond(0)2 Bx12, and to increase with ν. The Pedersen resistivity is ∝ Bcond(0)2. It is several orders of magnitude greater than the Spitzer resistivity in the chromosphere, and determines the rate of heating by Pedersen current dissipation in the chromosphere. The Pedersen current is essentially a proton current in the chromosphere. The onset of Pedersen current dissipation rates large enough to balance the net radiative loss from the chromosphere occurs near the height of the FAL temperature minimum, and is triggered by the product of the electron and proton magnetizations first exceeding unity. The magnetizations and heating rate increase rapidly with height beginning near the temperature minimum. For the special case of Bz = 200 G, Bx1=140 G, and 400 ≤ Bcond(0) ≤ 1500 G the driver frequency for which the period averaged chromospheric heating flux FCh = 5 × 106 ergs-cm-2-sec-1 has the corresponding range of 91 ≥ ν ≥ 25 mHz. Larger magnetic field strengths correspond to lower frequencies for a

  16. 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

  17. Quantum Nonlocal Boxes Exhibit Stronger Distillability

    NASA Astrophysics Data System (ADS)

    Høyer, Peter; Rashid, Jibran

    2013-06-01

    The hypothetical nonlocal box (NLB) proposed by Popescu and Rohrlich allows two spatially separated parties, Alice and Bob, to exhibit stronger than quantum correlations. If the generated correlations are weak, they can sometimes be distilled into a stronger correlation by repeated applications of the NLB. Motivated by the limited distillability of NLBs, we initiate here a study of the distillation of correlations for nonlocal boxes that output quantum states rather than classical bits (qNLBs). We propose a new protocol for distillation and show that it asymptotically distills a class of correlated quantum nonlocal boxes to the value (1)/(2)(3√ {3}+1) ≈ 3.098076, whereas in contrast, the optimal non-adaptive parity protocol for classical nonlocal boxes asymptotically distills only to the value 3.0. We show that our protocol is an optimal non-adaptive protocol for 1, 2 and 3 qNLB copies by constructing a matching dual solution for the associated primal semidefinite program (SDP). We conclude that qNLBs are a stronger resource for nonlocality than NLBs. The main premise that develops from this conclusion is that the NLB model is not the strongest resource to investigate the fundamental principles that limit quantum nonlocality. As such, our work provides strong motivation to reconsider the status quo of the principles that are known to limit nonlocal correlations under the framework of qNLBs rather than NLBs.

  18. Local, nonlocal quantumness and information theoretic measures

    NASA Astrophysics Data System (ADS)

    Agrawal, Pankaj; Sazim, Sk; Chakrabarty, Indranil; Pati, Arun K.

    2016-08-01

    It has been suggested that there may exist quantum correlations that go beyond entanglement. The existence of such correlations can be revealed by information theoretic quantities such as quantum discord, but not by the conventional measures of entanglement. We argue that a state displays quantumness, that can be of local and nonlocal origin. Information theoretic measures not only characterize the nonlocal quantumness, but also the local quantumness, such as the “local superposition”. This can be a reason, why such measures are nonzero, when there is no entanglement. We consider a generalized version of the Werner state to demonstrate the interplay of local quantumness, nonlocal quantumness and classical mixedness of a state.

  19. Nonlocal study of ultimate plasmon hybridization.

    PubMed

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

    2015-03-01

    Within our recently proposed generalized nonlocal optical response (GNOR) model, where nonlocal response is included by taking into account both convective and diffusive currents of the conduction electrons, we revisit the fundamental problem of an optically excited plasmonic dimer. We consider the transition from separated dimers via touching dimers to finally overlapping dimers. In particular, we focus on the touching case, showing a fundamental limit on the hybridization of the bonding plasmon modes due to nonlocality. Using transformation optics, we determine a simple analytical equation for the resonance energies.

  20. Bell-type inequalities for nonlocal resources

    NASA Astrophysics Data System (ADS)

    Brunner, Nicolas; Scarani, Valerio; Gisin, Nicolas

    2006-11-01

    We present bipartite Bell-type inequalities which allow the two partners to use some nonlocal resource. Such inequalities can only be violated if the parties use a resource which is more nonlocal than the one permitted by the inequality. We introduce a family of N-input nonlocal machines, which are generalizations of the well-known PR (Popescu-Rohrlich) box. Then we construct Bell-type inequalities that cannot be violated by strategies that use one of these new machines. Finally we discuss implications for the simulation of quantum states.

  1. Nonlocal effects and countermeasures in cascading failures.

    PubMed

    Witthaut, Dirk; Timme, Marc

    2015-09-01

    We study the propagation of cascading failures in complex supply networks with a focus on nonlocal effects occurring far away from the initial failure. It is shown that a high clustering and a small average path length of a network generally suppress nonlocal overloads. These properties are typical for many real-world networks, often called small-world networks, such that cascades propagate mostly locally in these networks. Furthermore, we analyze the spatial aspects of countermeasures based on the intentional removal of additional edges. Nonlocal actions are generally required in networks that have a low redundancy and are thus especially vulnerable to cascades.

  2. Cusp Formation for a Nonlocal Evolution Equation

    NASA Astrophysics Data System (ADS)

    Hoang, Vu; Radosz, Maria

    2017-02-01

    Córdoba et al. (Ann Math 162(3):1377-1389, 2005) introduced a nonlocal active scalar equation as a one-dimensional analogue of the surface-quasigeostrophic equation. It has been conjectured, based on numerical evidence, that the solution forms a cusp-like singularity in finite time. Up until now, no active scalar with nonlocal flux is known for which cusp formation has been rigorously shown. In this paper, we introduce and study a nonlocal active scalar, inspired by the Córdoba-Córdoba-Fontelos equation, and prove that either a cusp- or needle-like singularity forms in finite time.

  3. Local renormalizable gauge theories from nonlocal operators

    SciTech Connect

    Capri, M.A.L. Lemes, V.E.R. Sobreiro, R.F. Sorella, S.P. Thibes, R.

    2008-03-15

    The possibility that nonlocal operators might be added to the Yang-Mills action is investigated. We point out that there exists a class of nonlocal operators which lead to renormalizable gauge theories. These operators turn out to be localizable by means of the introduction of auxiliary fields. The renormalizability is thus ensured by the symmetry content exhibited by the resulting local theory. The example of the nonlocal operator Tr{integral}A{sub {mu}}1/(D{sup 2}) A{sub {mu}} is analyzed in detail. A few remarks on the possible role that these operators might have for confining theories are outlined.

  4. Nonlocal advantage of quantum coherence

    NASA Astrophysics Data System (ADS)

    Mondal, Debasis; Pramanik, Tanumoy; Pati, Arun Kumar

    2017-01-01

    A bipartite state is said to be steerable if and only if it does not have a single-system description, i.e., the bipartite state cannot be explained by a local hidden state model. Several steering inequalities have been derived using different local uncertainty relations to verify the ability to control the state of one subsystem by the other party. Here, we derive complementarity relations between coherences measured on mutually unbiased bases using various coherence measures such as the l1-norm, relative entropy, and skew information. Using these relations, we derive conditions under which a nonlocal advantage of quantum coherence can be achieved and the state is steerable. We show that not all steerable states can achieve such an advantage.

  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. Entanglement and quantum nonlocality demystified

    NASA Astrophysics Data System (ADS)

    Kupczynski, Marian

    2012-12-01

    Quantum nonlocality is presented often as the most remarkable and inexplicable phenomenon known to modern science. It has been known already for a long time that the probabilistic models used to prove Bell and Clauser-Horn-Shimony-Holt inequalities (BI-CHSH) for spin polarization correlation experiments (SPCE) are incompatible with the experimental protocols of SPCE. In particular these models use the same common probability space, joint probability distributions and/or conditional independence to describe coincidence experiments in incompatible experimental settings. Strangely enough these results are not known or simply neglected. This is why we will once again reanalyze Bell locality assumptions and show that they have nothing to do with the notion of Einsteinian locality therefore their violation should not be called quantum nonlocality but rather quantum non-Kolmogorovness or quantum contextuality. Moreover if local variables describing the measuring instruments are correctly taken into account then BI-CHSH can no longer be proven and one can easily construct non-signaling probabilistic models able to reproduce the predictions of QT. The violation of BI-CHSH is considered usually as a proof that a quantum state is entangled. Since BI-CHSH are violated also in some experiments from outside the domain of quantum physics therefore the entanglement is not exclusively a quantum phenomenon. In order to further demystify these notions we show that one can prepare two macroscopic systems in such a way that simple realizable local experiments on these systems violate BI. In view of these arguments the further testing of BI-CHSH inequalities in search for the loopholes does not seem to be necessary.

  7. Family of nonlocal bound entangled states

    NASA Astrophysics Data System (ADS)

    Yu, Sixia; Oh, C. H.

    2017-03-01

    Bound entanglement, being entangled yet not distillable, is essential to our understanding of the relations between nonlocality and entanglement besides its applications in certain quantum information tasks. Recently, bound entangled states that violate a Bell inequality have been constructed for a two-qutrit system, disproving a conjecture by Peres that bound entanglement is local. Here we construct this kind of nonlocal bound entangled state for all finite dimensions larger than two, making possible their experimental demonstration in most general systems. We propose a Bell inequality, based on a Hardy-type argument for nonlocality, and a steering inequality to identify their nonlocality. We also provide a family of entanglement witnesses to detect their entanglement beyond the Bell inequality and the steering inequality.

  8. Palatini formulation of non-local gravity

    NASA Astrophysics Data System (ADS)

    Briscese, F.; Pucheu, M. L.

    We derive the dynamical equations for a non-local gravity model in the Palatini formalism and we discuss some of the properties of this model. We have show that, in some specific case, the vacuum solutions of general relativity are also vacuum solutions of the non-local model, so we conclude that, at least in this case, the singularities of Einstein’s gravity are not removed.

  9. Chaotic Orbits for Systems of Nonlocal Equations

    NASA Astrophysics Data System (ADS)

    Dipierro, Serena; Patrizi, Stefania; Valdinoci, Enrico

    2017-01-01

    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.

  10. Experimental falsification of Leggett's nonlocal variable model.

    PubMed

    Branciard, Cyril; Ling, Alexander; Gisin, Nicolas; Kurtsiefer, Christian; Lamas-Linares, Antia; Scarani, Valerio

    2007-11-23

    Bell's theorem guarantees that no model based on local variables can reproduce quantum correlations. Also, some models based on nonlocal variables, if subject to apparently "reasonable" constraints, may fail to reproduce quantum physics. In this Letter, we introduce a family of inequalities, which use a finite number of measurement settings, and which therefore allow testing Leggett's nonlocal model versus quantum physics. Our experimental data falsify Leggett's model and are in agreement with quantum predictions.

  11. Robust non-local median filter

    NASA Astrophysics Data System (ADS)

    Matsuoka, Jyohei; Koga, Takanori; Suetake, Noriaki; Uchino, Eiji

    2017-01-01

    This paper describes a novel image filter with superior performance on detail-preserving removal of random-valued impulse noise superimposed on natural gray-scale images. The non-local means filter is in the limelight as a way of Gaussian noise removal with superior performance on detail preservation. By referring the fundamental concept of the non-local means, we had proposed a non-local median filter as a specialized way for random-valued impulse noise removal so far. In the non-local processing, the output of a filter is calculated from pixels in blocks which are similar to the block centered at a pixel of interest. As a result, aggressive noise removal is conducted without destroying the detailed structures in an original image. However, the performance of non-local processing decreases enormously in the case of high noise occurrence probability. A cause of this problem is that the superimposed noise disturbs accurate calculation of the similarity between the blocks. To cope with this problem, we propose an improved non-local median filter which is robust to the high level of corruption by introducing a new similarity measure considering possibility of being the original signal. The effectiveness and validity of the proposed method are verified in a series of experiments using natural gray-scale images.

  12. 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.

  13. 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).

  14. Pseudo-Potentials in Dense and He-like Hot temperature Plasmas

    NASA Astrophysics Data System (ADS)

    Deutsch, Claude; Rahal, Hamid

    2012-10-01

    Extending our former derivations in dense and high temperature plasmas of hydrogenic effective interactions mimiking the Heisenberg uncertainty principle [1,2], we worked out in a canonical ensemble, effective interactions in He-like plasmas where an orbital 1s electron remains strongly tighted to the He-like ions. The plasma electrons are then taken into account through appropriate Slater sums obtained in the most economical hydrogenic extension of the He-like bound and scattered states with angular orbital momentum l<3. Ground states are described by a multi-parametric HF approximation [3]. We thus obtain Diffraction-corrected electron-ion pseudo-potentials taking into account of a polarizable and nonpointlike ion core. Very large enhancements and discrepancies are obtained when they are contrasted to their H-like homologs with ion charge Z=2,10 and 92. These results are of obvious significance for He-like warm dense matter plasmas.Ionization is also considered.[4pt] [1] C. Deutsch, Phys. Lett. A60, 317 (1977)[4pt] [2] C. Deutsch, Y. Furutani and M.M. Gombert, Phys. Rep. 69,86 (1981)[0pt] [3] E. Clementi and C. Roetti, Atomic Data and Nucl. Data Tables, 14,177(1974)

  15. 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.

  16. Contact angle adjustment in equation-of-state-based pseudopotential model.

    PubMed

    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.

  17. Fully relativistic pseudopotential formalism under an atomic orbital basis: spin-orbit splittings and magnetic anisotropies.

    PubMed

    Cuadrado, R; Cerdá, J I

    2012-02-29

    We present an efficient implementation of the spin-orbit coupling within the density functional theory based SIESTA code (2002 J. Phys.: Condens. Matter 14 2745) using the fully relativistic and totally separable pseudopotential formalism of Hemstreet et al (1993 Phys. Rev. B 47 4238). First, we obtain the spin-orbit splittings for several systems ranging from isolated atoms to bulk metals and semiconductors as well as the Au(111) surface state. Next, and after extensive tests on the accuracy of the formalism, we also demonstrate its capability to yield reliable values for the magnetic anisotropy energy in magnetic systems. In particular, we focus on the L1(0) binary alloys and on two large molecules: Mn(6)O(2)(H -sao)(6)(O(2)CH)(2)(CH(3)OH)(4) and Co(4)(hmp)(4)(CH(3)OH)(4)Cl(4). In all cases our calculated anisotropies are in good agreement with those obtained with full-potential methods, despite the latter being, in general, computationally more demanding.

  18. Measuring the Quality of Generalized Gradient Approximations in a Density Functional Theory Pseudopotential Environment for Solids

    NASA Astrophysics Data System (ADS)

    Nault, Zachary; Cancio, Antonio

    2013-03-01

    Much recent development in DFT has focused on improving GGAs. Two schemes are second order GGA (SOGGA) and the APBE which builds the GGA from atomic systems and not the HEG. Both of these have been tested within an all electron (AE) environment, providing the most accurate results. The focus of many simulations, however, is on large systems using pseudopotentials (PsP's). Are these PsP calculations, which rely on functionals tested in an AE environment, accurately reproducing the AE ground state properties? If not, can the deficiencies be identified? To assess this, we use the PsP generator APE, using the functional library libXC which works with the PsP package ABINIT and the AE package Elk. We generate standard Troullier-Martin PsP's based on common and new XC functionals (LDA, PBE, PBEsol, APBE, SOGGA) and test their performance in 13 solids (Na, Li, Al, C, Si, GaAs, NaCl, LiF, LiCl, Cu, Pd, Rh, and Ag). We measure how well three ground state properties (lattice constant, bulk modulus, and cohesive energy) are calculated with PsP's as compared to the corresponding AE calculations.

  19. 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

  20. 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.

  1. Nonlocality without inequality for almost all two-qubit entangled states based on Cabello's nonlocality argument

    SciTech Connect

    Kunkri, Samir; Choudhary, Sujit K.; Ahanj, Ali; Joag, Pramod

    2006-02-15

    Here we deal with a nonlocality argument proposed by Cabello, which is more general than Hardy's nonlocality argument, but still maximally entangled states do not respond. However, for most of the other entangled states, maximum probability of success of this argument is more than that of the Hardy's argument.

  2. Nonlocal electrodynamics in Weyl semimetals

    NASA Astrophysics Data System (ADS)

    Rosenstein, B.; Kao, H. C.; Lewkowicz, M.

    2017-02-01

    Recently synthesized three-dimensional materials with Dirac spectrum exhibit peculiar electric transport qualitatively different from its two-dimensional analog, graphene. By neglecting impurity scattering, the real part of the conductivity is strongly frequency dependent, while the imaginary part is nonzero unlike in undoped, clean graphene. The Coulomb interaction between electrons is unscreened as in a dielectric and hence is long range. We demonstrate that the interaction correction renders the electrodynamics nonlocal on a mesoscopic scale. The longitudinal conductivity σL and the transverse conductivity σT are different in the long-wavelength limit and consequently the standard local Ohm's law description does not apply. This leads to several remarkable effects in optical response. The p -polarized light generates in these materials bulk plasmons as well as the transversal waves. At a specific frequency the two modes coincide, a phenomenon impossible in a local medium. For any frequency there is a Brewster angle where total absorption occurs, turning the Weyl semimetals opaque. The effect of the surface, including the Fermi arcs, is discussed.

  3. Non-local Optical Potentials

    NASA Astrophysics Data System (ADS)

    Thompson, Ian

    2010-11-01

    In all direct reactions to probe the structure of exotic nuclei at FRIB, optical potentials will be needed in the entrance and exit channels. At high energies Glauber approximations may be useful, but a low energies (5 to 20 MeV/nucleon) other approaches are required. Recent work of the UNEDF project [1] has shown that reaction cross sections at these energies can be accounted for by calculating all inelastic and transfer channels reachable by one particle-hole transitions from the elastic channel. In this model space, we may also calculate the two-step dynamic polarization potential (DPP) that adds to the bare folded potential to form the complex optical potential. Our calculations of the DPP, however, show that its non-localities are very significant, as well as the partial-wave dependence of both its real and imaginary components. The Perey factors (the wave function ratio to that from an equivalent local potential) are more than 20% different from unity, especially for partial waves inside grazing. These factors combine to suggest a reexamination of the validity of local and L-independent fitted optical potentials, especially for capture reactions that are dominated by low partial waves. Prepared by LLNL under Contract DE-AC52-07NA27344. [1] G.P.A. Nobre, F.S. Dietrich, J.E. Escher, I.J. Thompson, M. Dupuis, J. Terasaki and J. Engel, submitted to Phys. Rev. Letts., 2010.

  4. Atomistic Pseudopotential Calculations of the Electronic and Optical Properties of Self-Assembled Quantum Dots

    NASA Astrophysics Data System (ADS)

    Bester, Gabriel

    2006-03-01

    The optical spectrum and the charging energies of semiconductor quantum dots have been recently measured with high accuracy. Both of these experimental techniques probe many-body states that are not directly described by independent particle theories such as the density functional theory. On the other hand, quasi- particle theories that can in principle address the problem, such as GW, are computationally too demanding for the study of nanostructures (as opposed to clusters) where many thousands of atoms are involved. One way to approach this problem is to use the effective mass approximation or the k.p method and choose a confinement potential that reproduces a few known experimental facts (e.g. the splitting between confined levels). These methods can provide a good initial guess but were shown to be too crude to enable a quantitative comparision with recent experiments. We therefore adopt a bottom-up atomistic approach where instead of starting from a simplified approach, such as effective mass, and progressively increase the complexity by adding parameters, we start from the accurate atomistic description (LDA or GW) and work ourselves up using a few well controlled approximations.I will first present the method, namely (i) the scheme that is used to derive the empirical pseudopotentials including the piezoelectric effect, (ii) the choices that have to be made for the basis used to expand the wave functions, (iii) the inclusion of corelations through Bethe-Salpeter-like treatment. I will then present recent applications of the theory to calculate the fine-structure [1] of excitons and charged excitons, the charging spectra of holes [2] and the degree or entanglement stored in a quantum dot molecule [3].[1] G. Bester, S.V. Nair, A. Zunger, prb 67, 161306 (2003). [2] L. He, G. Bester, A. Zunger, PRL (in press). [3] G. Bester, J. Shumway, A. Zunger, PRL 93, 047401 (2004)

  5. Transfer reaction code with nonlocal interactions

    DOE PAGES

    Titus, L. J.; Ross, A.; Nunes, F. M.

    2016-07-14

    Here, we present a suite of codes (NLAT for nonlocal adiabatic transfer) to calculate the transfer cross section for single-nucleon transfer reactions, (d,N) or (N,d), including nonlocal nucleon-target interactions, within the adiabatic distorted wave approximation. For this purpose, we implement an iterative method for solving the second order nonlocal differential equation, for both scattering and bound states. The final observables that can be obtained with NLAT are dif- ferential angular distributions for the cross sections of A(d,N)B or B(N,d)A. Details on the implementation of the T-matrix to obtain the final cross sections within the adiabatic distorted wave approximation method aremore » also provided. This code is suitable to be applied for deuteron induced reactions in the range of Ed = 10–70 MeV, and provides cross sections with 4% accuracy.« less

  6. Transfer reaction code with nonlocal interactions

    SciTech Connect

    Titus, L. J.; Ross, A.; Nunes, F. M.

    2016-07-14

    Here, we present a suite of codes (NLAT for nonlocal adiabatic transfer) to calculate the transfer cross section for single-nucleon transfer reactions, (d,N) or (N,d), including nonlocal nucleon-target interactions, within the adiabatic distorted wave approximation. For this purpose, we implement an iterative method for solving the second order nonlocal differential equation, for both scattering and bound states. The final observables that can be obtained with NLAT are dif- ferential angular distributions for the cross sections of A(d,N)B or B(N,d)A. Details on the implementation of the T-matrix to obtain the final cross sections within the adiabatic distorted wave approximation method are also provided. This code is suitable to be applied for deuteron induced reactions in the range of Ed = 10–70 MeV, and provides cross sections with 4% accuracy.

  7. 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.

  8. 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.

  9. Transfer reaction code with nonlocal interactions

    NASA Astrophysics Data System (ADS)

    Titus, L. J.; Ross, A.; Nunes, F. M.

    2016-10-01

    We present a suite of codes (NLAT for nonlocal adiabatic transfer) to calculate the transfer cross section for single-nucleon transfer reactions, (d , N) or (N , d) , including nonlocal nucleon-target interactions, within the adiabatic distorted wave approximation. For this purpose, we implement an iterative method for solving the second order nonlocal differential equation, for both scattering and bound states. The final observables that can be obtained with NLAT are differential angular distributions for the cross sections of A(d , N) B or B(N , d) A. Details on the implementation of the T-matrix to obtain the final cross sections within the adiabatic distorted wave approximation method are also provided. This code is suitable to be applied for deuteron induced reactions in the range of Ed =10-70 MeV, and provides cross sections with 4% accuracy.

  10. 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.

  11. Coherent scatter radar instabilities observed over Arecibo and proposed non-local linear gradient drift theory

    NASA Astrophysics Data System (ADS)

    Rosado-Roman, J. M.; Farley, D. T.; Swartz, W. E.; Seyler, C. E.

    2001-05-01

    Common volume observations with the Cornell University Portable Radar Interferometer (CUPRI) coherent scatter radar and the Arecibo Observatory incoherent scatter radar (AO-ISR) obtained during the NASA El Coquí campaign of 1992, are used to study the causes of coherent radar backscatter at mid-latitudes. The common volume data reveal that coherent scatter echoes are obtained from sporadic E (Es) layers that exhibit little or no gravity wave altitude modulation and possess high densities and sharp gradients. The echoes are associated with larger than typical F-region south-perpendicular electric fields. The echoes appear to come from the linearly unstable side of the Es layers even though the usual local linear theory is invalid at mid-latitudes. Non-local shorting effects along magnetic field lines play a crucial role at mid-latitudes, and we have developed a theory that takes this into account. The unstable eigen modes are a sum of plane waves with k vectors varying vertically about pure perpendicular propagation by a few degrees (allowing for the spatial localization of the modes on the top or bottom of the layer). The k vectors are also approximately aligned with the E x B drift. While both density and potential modes peak in amplitude on the unstable side of the layer, the density mode peaks closer to the maximum of the layer than does the potential mode. The separation and shape of the modes is determined by the profile of the vertical scale length, Lz = Ne / (d)/(dz) Ne; convergent growing solutions are found when the scale length profile exhibits a deep local minimum (steep gradient). We used a narrow Gaussian layer superimposed on a constant background density. Perhaps surprisingly, the constant background is essential for the numerical calculations. It can be small but not zero.

  12. 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.

  13. 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

  14. Spatial optical solitons in highly nonlocal media

    NASA Astrophysics Data System (ADS)

    Alberucci, Alessandro; Jisha, Chandroth P.; Smyth, Noel F.; Assanto, Gaetano

    2015-01-01

    We theoretically investigate the propagation of bright spatial solitary waves in highly nonlocal media possessing radial symmetry in a three-dimensional cylindrical geometry. Focusing on a thermal nonlinearity, modeled by a Poisson equation, we show how the profile of the light-induced waveguide strongly depends on the extension of the nonlinear medium in the propagation direction as compared to the beamwidth. We demonstrate that self-trapped beams undergo oscillations in size, either periodically or aperiodically, depending on the input waist and power. The—usually neglected—role of the longitudinal nonlocality as well as the detrimental effect of absorptive losses are addressed.

  15. Breather solitons in highly nonlocal media

    NASA Astrophysics Data System (ADS)

    Alberucci, Alessandro; Jisha, Chandroth P.; Assanto, Gaetano

    2016-12-01

    We investigate the breathing of optical spatial solitons in highly nonlocal media. We use a generalization of the Ehrenfest theorem (1990 Am. J. Phys. 58 742) leading to a fourth-order ordinary differential equation, the latter ruling the beam width evolution in propagation. In actual highly nonlocal materials, the original accessible soliton model by Snyder and Mitchell (1997 Science 276 1538) cannot accurately describe the dynamics of self-confined beams: the transverse size oscillations have a period which not only depends on power, but also on the initial width. Modeling the nonlinear response by a Poisson equation driven by the beam intensity we verify the theoretical results against numerical simulations.

  16. Compressive Sensing via Nonlocal Smoothed Rank Function

    PubMed Central

    Fan, Ya-Ru; 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

  17. 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.

  18. 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.

  19. Erasing nonlocal like two photon interference

    NASA Astrophysics Data System (ADS)

    Olindo, C.; Sagioro, M. A.; Pádua, S.; Monken, C. H.

    2015-12-01

    Over the years, since the 1980s, various two photon interference experiments have been reported with photon pairs generated by parametric down conversion. Some of them have shown local interference features and non-local ones. An experiment is shown here which joins the two features at the same time in a Hong-Ou-Mandel interferometer. However, the non-local effects are lost if the photons' arrival time difference at the beam splitter is much larger than the pulse length of the pump beam that generates the photon pair.

  20. Consequences and applications of the completeness of Hardy's nonlocality

    NASA Astrophysics Data System (ADS)

    Mansfield, Shane

    2017-02-01

    Logical nonlocality is completely characterized by Hardy's "paradox" in (2 ,2 ,l ) and (2 ,k ,2 ) scenarios. We consider a variety of consequences and applications of this fact. (i) Polynomial algorithms may be given for deciding logical nonlocality in these scenarios. (ii) Bell states are the only entangled two-qubit states which are not logically nonlocal under projective measurements. (iii) It is possible to witness Hardy nonlocality with certainty in a simple tripartite quantum system. (iv) Noncommutativity of observables is necessary and sufficient for enabling logical nonlocality.

  1. 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...

  2. 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...

  3. 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...

  4. 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...

  5. 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...

  6. Nonlocal optical response of plasmonic nanowire metamaterials

    NASA Astrophysics Data System (ADS)

    Wells, Brian Michael

    Nanowire metamaterials are a class of composite photonic media formed by an array of aligned plasmonic nanowires embedded in a dielectric matrix. Depending on exact composition, geometry, and excitation wavelength, nanowire structures are known to exhibit elliptical, hyperbolic, or epsilon-near-zero (ENZ) responses. In the ENZ regime, optical response of the composite becomes strongly nonlocal. Excitation of an additional wave, caused by nonlocality, has been experimentally demonstrated in nanowire-based metamaterials. In this thesis, a computational study of the nonlocal optical response in plasmonic nanowire arrays has been conducted to better understand such materials. The results of this computational study were used to develop an analytical technique that provides an adequate description of the optical response of wire based metamaterials. This formalism combines the local and nonlocal effective-medium theories often used to describe the optics of nanowire composites. It provides insight into the origin of the additional wave and allows implementation of additional boundary conditions. This approach can be straightforwardly extended to describe the optics for numerious plasmonic structures.

  7. Nonlocality as Evidence for a Multiverse Cosmology

    NASA Astrophysics Data System (ADS)

    Tipler, Frank J.

    We show that observations of quantum nonlocaltiy can be interpreted as purely local phenomena, provided one assumes that the cosmos is a multiverse. Conversely, the observation of quantum nonlocality can be interpreted as observation evidence for a multiverse cosmology, just as observation of the setting of the Sun can be interpreted as evidence for the Earth's rotation.

  8. Testing nonlocal realism with entangled coherent states

    SciTech Connect

    Paternostro, Mauro; Jeong, Hyunseok

    2010-03-15

    We investigate the violation of nonlocal realism using entangled coherent states (ECSs) under nonlinear operations and homodyne measurements. We address recently proposed Leggett-type inequalities, including a class of optimized incompatibility inequalities proposed by Branciard et al. [Nature Phys. 4, 681 (2008)], and thoroughly assess the effects of detection inefficiency.

  9. Measurement-induced Nonlocality for Gaussian States

    NASA Astrophysics Data System (ADS)

    Ma, Ruifen; Hou, Jinchuan; Qi, Xiaofei

    2017-04-01

    We establish an analytic formula of measurement-induced nonlocality (MIN) for two-mode squeezed thermal states and mixed thermal states. Different from the quantum discord case, we show that there is no Gaussian version of MIN by Gaussian positive operator valued measurements.

  10. 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.

  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

    2015-07-02

    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.

  12. 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.

  13. Relativistic nuclear magnetic resonance J-coupling with ultrasoft pseudopotentials and the zeroth-order regular approximation.

    PubMed

    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, (1)J(P-Ag) and (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.

  14. 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

  15. 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.

  16. 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.

  17. Nonlocal polarization interferometer for entanglement detection

    DOE PAGES

    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

  18. 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.

  19. Nonlocal diffusion second order partial differential equations

    NASA Astrophysics Data System (ADS)

    Benedetti, I.; Loi, N. V.; Malaguti, L.; Taddei, V.

    2017-02-01

    The paper deals with a second order integro-partial differential equation in Rn with a nonlocal, degenerate diffusion term. Nonlocal conditions, such as the Cauchy multipoint and the weighted mean value problem, are investigated. The existence of periodic solutions is also studied. The dynamic is transformed into an abstract setting and the results come from an approximation solvability method. It combines a Schauder degree argument with an Hartman-type inequality and it involves a Scorza-Dragoni type result. The compact embedding of a suitable Sobolev space in the corresponding Lebesgue space is the unique amount of compactness which is needed in this discussion. The solutions are located in bounded sets and they are limits of functions with values in finitely dimensional spaces.

  20. 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.

  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 Boltzmann theory of plasma channels

    NASA Astrophysics Data System (ADS)

    Yu, S. S.; Melendez, R. E.

    1983-01-01

    The mathematical framework for the Lawrence Livermore National Lab. (LLNL) code NUTS is developed. This code is designed to study the evolution of an electron beam generated plasma channel at all pressures. The Boltzmann treatment of the secondary electrons presented include all inertial, nonlocal, electric and magnetic effects, as well as effects of atomic collisions. Field equations are advanced simultaneously and self-consistently with the evolving plasma currents.

  3. 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.

  4. NON-LOCALITY OF HYDRODYNAMIC AND MAGNETOHYDRODYNAMIC TURBULENCE

    SciTech Connect

    Cho, Jungyeon

    2010-12-20

    We compare non-locality of interactions between different scales in hydrodynamic (HD) turbulence and magnetohydrodynamic (MHD) turbulence in a strongly magnetized medium. We use three-dimensional incompressible direct numerical simulations to evaluate non-locality of interactions. Our results show that non-locality in MHD turbulence is much more pronounced than that in HD turbulence. Roughly speaking, non-local interactions count for more than 10% of total interactions in our MHD simulation on a grid of 512{sup 3} points. However, there is no evidence that non-local interactions are important in our HD simulation with the same numerical resolution. We briefly discuss how non-locality affects the energy spectrum.

  5. Nonlocal modeling of granular flows down inclines.

    PubMed

    Kamrin, Ken; Henann, David L

    2015-01-07

    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.

  6. Nonlocal Gravity and Structure in the Universe

    SciTech Connect

    Dodelson, Scott; Park, Sohyun

    2014-08-26

    The observed acceleration of the Universe can be explained by modifying general relativity. One such attempt is the nonlocal model of Deser and Woodard. Here we fix the background cosmology using results from the Planck satellite and examine the predictions of nonlocal gravity for the evolution of structure in the universe, confronting the model with three tests: gravitational lensing, redshift space distortions, and the estimator of gravity $E_G$. Current data favor general relativity (GR) over nonlocal gravity: fixing primordial cosmology with the best fit parameters from Planck leads to weak lensing results favoring GR by 5.9 sigma; redshift space distortions measurements of the growth rate preferring GR by 7.8 sigma; and the single measurement of $E_G$ favoring GR, but by less than 1-sigma. The significance holds up even after the parameters are allowed to vary within Planck limits. The larger lesson is that a successful modified gravity model will likely have to suppress the growth of structure compared to general relativity.

  7. 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.

  8. On the Nonlocality of the Coulomb Gauge External Field Problem

    NASA Astrophysics Data System (ADS)

    Hraskó, Péter

    The apparent nonlocality of the Coulomb gauge external field problem in electrodynamics is illustrated with an example in which nonlocality is especially striking. Explanation of this apparent nonlocal behaviour based on a purely local picture is given. A gauge invariant decomposition of the Lorentz-force into two terms with clear physical meanings is pointed out. Based on this decomposition derivation of the Aharonov-Bohm effect in terms of field strengths alone is given.

  9. On the nonlocality of the Coulomb gauge external field problem

    NASA Astrophysics Data System (ADS)

    Hraskó, Péter

    2016-10-01

    The apparent nonlocality of the Coulomb gauge external field problem in electrodynamics is illustrated with an example in which nonlocality is especially striking. Explanation of this apparent nonlocal behaviour based on a purely local picture is given. A gauge invariant decomposition of the Lorentz-force into two terms with clear physical meanings is pointed out. Based on this decomposition derivation of the Aharonov-Bohm effect in terms of field strengths alone is given.

  10. 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.

  11. 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.

  12. 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.

  13. Scaling approach to the nonlocal surface growth equations

    NASA Astrophysics Data System (ADS)

    Tang, Gang; Ma, Benkun

    2001-09-01

    The scaling behavior of nonlocal surface growth equations are analyzed using a Flory-type approach introduced by Hentschel and Family [Phys. Rev. Lett. 66 (1991) 1982]. The growth equations studied include the nonlocal Kardar-Parisi-Zhang, nonlocal Sun-Guo-Grant, and nonlocal Lai-Das Sarma-Villain equation. The types of noise involved include white, colored noise and quenched randomness. We find that the obtained scaling exponents in the weak-coupling region can well match the corresponding results of the dynamic renormalizatin group theory. The scaling exponents in the strong-coupling region are also derived.

  14. The uncertainty principle determines the nonlocality of quantum mechanics.

    PubMed

    Oppenheim, Jonathan; Wehner, Stephanie

    2010-11-19

    Two central concepts of quantum mechanics are Heisenberg's uncertainty principle and a subtle form of nonlocality that Einstein famously called "spooky action at a distance." These two fundamental features have thus far been distinct concepts. We show that they are inextricably and quantitatively linked: Quantum mechanics cannot be more nonlocal with measurements that respect the uncertainty principle. In fact, the link between uncertainty and nonlocality holds for all physical theories. More specifically, the degree of nonlocality of any theory is determined by two factors: the strength of the uncertainty principle and the strength of a property called "steering," which determines which states can be prepared at one location given a measurement at another.

  15. Nonlocal optical properties in periodic lattice of graphene layers.

    PubMed

    Chern, Ruey-Lin; Han, Dezhuan

    2014-02-24

    Based on the effective medium model, nonlocal optical properties in periodic lattice of graphene layers with the period much less than the wavelength are investigated. Strong nonlocal effects are found in a broad frequency range for TM polarization, where the effective permittivity tensor exhibits the Lorentzian resonance. The resonance frequency varies with the wave vector and coincides well with the polaritonic mode. Nonlocal features are manifest on the emergence of additional wave and the occurrence of negative refraction. By examining the characters of the eigenmode, the nonlocal optical properties are attributed to the excitation of plasmons on the graphene surfaces.

  16. 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.

  17. Nonlocality without inequality for spin-s systems

    SciTech Connect

    Kunkri, Samir; Choudhary, Sujit K.

    2005-08-15

    We critically review earlier works on Hardy's nonlocality argument for two spin-s systems and show that solutions previously found in this regard were restricted due to imposition of some conditions which have no role in the argument of nonlocality. We provide a compact form of the nonlocality condition for two spin-s particles, and we also extend it to n number of spin-s particles. Finally we apply a more general kind of nonlocality argument, still without an inequality, to higher-spin systems.

  18. Nonlocal effects on dynamic damage accumulation in brittle solids

    SciTech Connect

    Chen, E.P.

    1995-12-01

    This paper presents a nonlocal analysis of the dynamic damage accumulation processes in brittle solids. A nonlocal formulation of a microcrack based continuum damage model is developed and implemented into a transient dynamic finite element computer code. The code is then applied to the study of the damage accumulation process in a concrete plate with a central hole and subjected to the action of a step tensile pulse applied at opposite edges of the plate. Several finite element discretizations are used to examine the mesh size effect. Comparisons between calculated results based on local and nonlocal formulations are made and nonlocal effects are discussed.

  19. Survey on nonlocal games and operator space theory

    SciTech Connect

    Palazuelos, Carlos; Vidick, Thomas

    2016-01-15

    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.

  20. A set of f-polarization functions for pseudo-potential basis sets of the transition metals ScCu, YAg and LaAu

    NASA Astrophysics Data System (ADS)

    Ehlers, A. W.; Böhme, M.; Dapprich, S.; Gobbi, A.; Höllwarth, A.; Jonas, V.; Köhler, K. F.; Stegmann, R.; Veldkamp, A.; Frenking, G.

    1993-06-01

    A Set of seven-component f-type polarization functions has been optimized for use with the pseudo-potentials of Hay and Wadt at the CISD level of theory for the transition metals ScCu, YAg, LaAu in the energetically lowest-lying s 1 d n electronic state.

  1. Reciprocity Calibration in a Plane Wave Resonator.

    DTIC Science & Technology

    1985-12-01

    7I D-W4 149 RECIPROCITY CLIBRTION IN A PLNE AVE RESONRTOR(U) / NAVAL POSTGRADUATE SCHOOL MONTEREY CA C L DURNISTER DEC 05 NPS61-86-006 UNCLSSIFIED...34’ .’ , C, 1 . 5 37 date = 1.E. May 1984- N F’H F’N ’.. * . VOL T $ 11 1 59 ’B I - 2 1’q 0341E-[ C4 - 1 .554 1 - 6 9 :6840E-005 1 557 34.71 1 7 65E- 05 ...percent fractional error STfor measued separation vs. • 66387 05 07 calculated separation at .......... the eighth interval. ’STRPT IT’.’= 14.5

  2. 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.

  3. 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.

  4. 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.

  5. Geometric reduction of dynamical nonlocality in nanoscale quantum circuits.

    PubMed

    Strambini, E; Makarenko, K S; Abulizi, G; de Jong, M P; van der Wiel, W G

    2016-01-06

    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.

  6. 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

  7. 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

  8. Spectral tunneling of lattice nonlocal solitons

    SciTech Connect

    Kartashov, Yaroslav V.; Torner, Lluis; Vysloukh, Victor A.

    2010-07-15

    We address spectral tunneling of walking spatial solitons in photorefractive media with nonlocal diffusion component of the nonlinear response and an imprinted shallow optical lattice. In contrast to materials with local nonlinearities, where solitons traveling across the lattice close to the Bragg angle suffer large radiative losses, in photorefractive media with diffusion nonlinearity resulting in self-bending, solitons survive when their propagation angle approaches and even exceeds the Bragg angle. In the spatial frequency domain this effect can be considered as tunneling through the band of spatial frequencies centered around the Bragg frequency where the spatial group velocity dispersion is positive.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. Pacemakers in large arrays of oscillators with nonlocal coupling

    NASA Astrophysics Data System (ADS)

    Jaramillo, Gabriela; Scheel, Arnd

    2016-02-01

    We model pacemaker effects of an algebraically localized heterogeneity in a 1 dimensional array of oscillators with nonlocal coupling. We assume the oscillators obey simple phase dynamics and that the array is large enough so that it can be approximated by a continuous nonlocal evolution equation. We concentrate on the case of heterogeneities with positive average and show that steady solutions to the nonlocal problem exist. In particular, we show that these heterogeneities act as a wave source. This effect is not possible in 3 dimensional systems, such as the complex Ginzburg-Landau equation, where the wavenumber of weak sources decays at infinity. To obtain our results we use a series of isomorphisms to relate the nonlocal problem to the viscous eikonal equation. We then use Fredholm properties of the Laplace operator in Kondratiev spaces to obtain solutions to the eikonal equation, and by extension to the nonlocal problem.

  14. A nonlocal fluid closure for antiparallel reconnection

    NASA Astrophysics Data System (ADS)

    Ng, Jonathan; Hakim, A.; Bhattacharjee, A.

    2016-10-01

    The integration of kinetic effects in fluid models is an important problem in global simulations of the Earth's magnetosphere and space weather modelling. In particular, it has been shown that ion kinetics play an important role in the dynamics of large reconnecting systems, and that fluid models can account of some of these effects. Here we introduce a new fluid model and closure for collisionless magnetic reconnection and more general applications. Taking moments of the kinetic equation, we evolve the full pressure tensor for electrons and ions, which includes the off diagonal terms necessary for reconnection. Kinetic effects are recovered by using a nonlocal heat flux closure, which approximates linear Landau damping in the fluid framework. Using the island coalescence problem as a test, we show how the nonlocal ion closure improves on the typical collisional closures used for ten-moment models and circumvents the need for a colllisional free parameter. Finally, we extend the closure to study guide-field reconnection and discuss the implementation of a twenty-moment model. Supported by: NSF Grant No. AGS-1338944, DOE Contract DE-AC02-09CH11466.

  15. Non-local models for ductile failure

    NASA Astrophysics Data System (ADS)

    César de Sá, José; Azinpour, Erfan; Santos, Abel

    2016-08-01

    Ductile damage can be dealt with continuous descriptions of material, resorting, for example, to continuous damage mechanic descriptions or micromechanical constitutive models. When it comes to describe material behaviour near and beyond fracture these approaches are no longer sufficient or valid and continuous/discontinuous approaches can be adopted to track fracture initiation and propagation. Apart from more pragmatic solutions like element erosion or remeshing techniques more advanced approaches based on the X-FEM concept, in particular associated with non-local formulations, may be adopted to numerically model these problems. Nevertheless, very often, for practical reasons, some important aspects are somewhat left behind, specially energetic requirements to promote the necessary transition of energy release associated with material damage and fracture energy associated to a crack creation and evolution. Phase-field methods may combine advantages of regularised continuous models by providing a similar description to non-local thermodynamical continuous damage mechanics, as well as, a "continuous" approach to numerically follow crack evolution and branching

  16. A predictive, nonlocal rheology for granular flows

    NASA Astrophysics Data System (ADS)

    Kamrin, Ken; Henann, David

    2013-11-01

    We propose a continuum model for flowing granular matter and demonstrate that it quantitatively predicts flow and stress fields in many different geometries. The model is constructed in a step-by-step fashion. First we compose a relation based on existing granular rheological approaches (notably the ``inertial'' granular flow rheology) and point out where the resulting model succeeds and where it does not. The clearest missing ingredient is shown to be the lack of an intrinsic length-scale. To tie flow features more carefully to the characteristic grain size, we compose a nonlocal model that includes a new size-dependent term (with only one new material parameter). This new nonlocal model resolves some outstanding questions in the granular flow literature--of note, it is the first model to predict all features of flows in split-bottom cell geometries, a decade-long open question in the field. In total, we will show that this new model, using three material parameters, quantitatively matches the flow and stress data from over 160 experiments in several different geometries.

  17. Nonlocality free wirings and the distinguishability between Bell boxes

    NASA Astrophysics Data System (ADS)

    Gallego, Rodrigo; Aolita, Leandro

    2017-03-01

    Bell nonlocality can be formulated in terms of a resource theory with local-hidden variable models as resourceless objects. Two such theories are known, one built upon local operations assisted by shared randomness (LOSRs) and the other one allowing, in addition, for prior-to-input classical communication. We show that prior communication, although unable to create nonlocality, leads to wirings not only beyond LOSRs but also not contained in a much broader class of (nonlocality-generating) global wirings. Technically, this is shown by proving that it can improve the statistical distinguishability between Bell correlations optimized over all fixed measurement choices. This has implications in nonlocality quantification, and leads us to a natural universal definition of Bell nonlocality measures. To end up with, we also consider the statistical strength of nonlocality proofs. We point out some issues of its standard definition in the resource-theoretic operational framework, and suggest simple fixes for them. Our findings reveal nontrivial features of the geometry of the set of wirings and may have implications in the operational distinguishability of nonlocal behaviors.

  18. 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.

  19. Solitons and dynamics for a general integrable nonlocal coupled nonlinear Schrödinger equation

    NASA Astrophysics Data System (ADS)

    Song, Cai-Qin; Xiao, Dong-Mei; Zhu, Zuo-Nong

    2017-04-01

    In this paper, we investigate a general integrable nonlocal coupled nonlinear Schrödinger (NLS) system with the parity-time (PT) symmetry, which contains not only the nonlocal self-phase modulation and the nonlocal cross-phase modulation, but also the nonlocal four-wave mixing terms. This nonlocal coupled NLS system is a nonlocal version of a coupled NLS system. The general N-th Darboux transformation for the nonlocal coupled NLS equation is constructed. By using the Darboux transformation, its soliton solutions are obtained. Dynamics and interactions of different kinds of soliton solutions are discussed.

  20. Pseudopotential-based electron quantum transport: Theoretical formulation and application to nanometer-scale silicon nanowire transistors

    SciTech Connect

    Fang, Jingtian Vandenberghe, William G.; Fu, Bo; Fischetti, Massimo V.

    2016-01-21

    We present a formalism to treat quantum electronic transport at the nanometer scale based on empirical pseudopotentials. This formalism offers explicit atomistic wavefunctions and an accurate band structure, enabling a detailed study of the characteristics of devices with a nanometer-scale channel and body. Assuming externally applied potentials that change slowly along the electron-transport direction, we invoke the envelope-wavefunction approximation to apply the open boundary conditions and to develop the transport equations. We construct the full-band open boundary conditions (self-energies of device contacts) from the complex band structure of the contacts. We solve the transport equations and present the expressions required to calculate the device characteristics, such as device current and charge density. We apply this formalism to study ballistic transport in a gate-all-around (GAA) silicon nanowire field-effect transistor with a body-size of 0.39 nm, a gate length of 6.52 nm, and an effective oxide thickness of 0.43 nm. Simulation results show that this device exhibits a subthreshold slope (SS) of ∼66 mV/decade and a drain-induced barrier-lowering of ∼2.5 mV/V. Our theoretical calculations predict that low-dimensionality channels in a 3D GAA architecture are able to meet the performance requirements of future devices in terms of SS swing and electrostatic control.

  1. Orbital free ab initio simulations of liquid alkaline earth metals: from pseudopotential construction to structural and dynamic properties.

    PubMed

    Rio, Beatriz G del; González, Luis E

    2014-11-19

    We have performed a comprehensive study of the properties of liquid Be, Ca and Ba, through the use of orbital free ab initio simulations. To this end we have developed a force-matching method to construct the necessary local pseudopotentials from standard ab initio calculations. The structural magnitudes are analyzed, including the average and local structures and the dynamic properties are studied. We find several common features, like an asymmetric second peak in the structure factor, a large amount of local structures with five-fold symmetry, a quasi-universal behaviour of the single-particle dynamic properties and a large degree of positive dispersion in the propagation of collective density fluctuations, whose damping is dictated by slow thermal relaxations and fast viscoelastic ones. Some peculiarities in the dynamic properties are however observed, like a very high sound velocity and a large violation of the Stokes-Einstein relation for Be, or an extremely high positive dispersion and a large slope in the dispersion relation of shear waves at the onset of the wavevector region where they are supported for Ba.

  2. Orbital-free ab initio molecular dynamics study of the free liquid surface of Sn. From pseudopotential generation to structural and dynamic properties

    NASA Astrophysics Data System (ADS)

    Gonzalez Del Rio, Beatriz; Gonzalez Tesedo, Luis Enrique

    We report results of an orbital-free ab initio molecular dynamics (OF-AIMD) study of the free liquid surface of Sn at 1000 K. A key ingredient in the OF-AIMD method is the local ionic pseudopotential describing the ions-valence electrons interaction. We have developed a force-matching method to derive a local ionic pseudopotential suitable to account for a rapidly varying density system, such as in a free liquid surface. We obtain very good results for several structural properties. We have also studied the evolution of some dynamical properties when going from the central region (where the system behaves like the bulk liquid) towards the free liquid surface. We aknowledge the spanish MSI (Project FIS2012-33126) and the University of Valladolid for the provision of a PhD grant.

  3. Nonlocal optical response of metal nanostructures with arbitrary shape.

    SciTech Connect

    McMahon, J. M.; Gray, S. K.; Schatz, G. C.; Northwestern Univ.

    2009-08-28

    We present an implementation of Maxwell's equations that incorporates the spatially nonlocal response of materials, an effect necessary to describe the optical properties of structures with features less than 10 nm. For the first time it is possible to investigate the nonlocal optical response of structures without spherical or planar shape, and outside of the electrostatic limit. As an illustration, we calculate the optical properties of Au nanowires and show that nonlocal effects are particularly important in structures with apex features, even for arbitrarily large sizes.

  4. Experimental nonlocality proof of quantum teleportation and entanglement swapping.

    PubMed

    Jennewein, Thomas; Weihs, Gregor; Pan, Jian-Wei; Zeilinger, Anton

    2002-01-07

    Quantum teleportation strikingly underlines the peculiar features of the quantum world. We present an experimental proof of its quantum nature, teleporting an entangled photon with such high quality that the nonlocal quantum correlations with its original partner photon are preserved. This procedure is also known as entanglement swapping. The nonlocality is confirmed by observing a violation of Bell's inequality by 4.5 standard deviations. Thus, by demonstrating quantum nonlocality for photons that never interacted, our results directly confirm the quantum nature of teleportation.

  5. Nonlocal effects in metallic nanoparticles: The kinetic approach outlook

    NASA Astrophysics Data System (ADS)

    Tomchuk, Petro M.; Butenko, Danylo

    2017-02-01

    For the metallic nanoparticles, smaller than the free electron path, an impact of the particle’s surface on the nonlocal effects emerging is shown. Light-induced current inside the particle begins to depend on the spatial derivatives of the field that leads to modification of Maxwell’s equations. Consequently, the results of Mie theory as well as definitions of the dielectric function and optical conductivity should be revisited. For the sphere-shaped nanoparticle, the explicit expression for the high-frequency current with account of nonlocality is obtained. The dependence of the nonlocal contribution on the light frequency and particle’s size is discussed.

  6. Stochastic waves in a Brusselator model with nonlocal interaction.

    PubMed

    Biancalani, Tommaso; Galla, Tobias; McKane, Alan J

    2011-08-01

    We show that intrinsic noise can induce spatiotemporal phenomena such as Turing patterns and traveling waves in a Brusselator model with nonlocal interaction terms. In order to predict and to characterize these stochastic waves we analyze the nonlocal model using a system-size expansion. The resulting theory is used to calculate the power spectra of the stochastic waves analytically and the outcome is tested successfully against simulations. We discuss the possibility that nonlocal models in other areas, such as epidemic spread or social dynamics, may contain similar stochastically induced patterns.

  7. PRINCIPAL COMPONENTS FOR NON-LOCAL MEANS IMAGE DENOISING.

    PubMed

    Tasdizen, Tolga

    2008-01-01

    This paper presents an image denoising algorithm that uses principal component analysis (PCA) in conjunction with the non-local means image denoising. Image neighborhood vectors used in the non-local means algorithm are first projected onto a lower-dimensional subspace using PCA. Consequently, neighborhood similarity weights for denoising are computed using distances in this subspace rather than the full space. This modification to the non-local means algorithm results in improved accuracy and computational performance. We present an analysis of the proposed method's accuracy as a function of the dimensionality of the projection subspace and demonstrate that denoising accuracy peaks at a relatively low number of dimensions.

  8. 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.

  9. Buckling Analysis of Chiral Single-Walled Carbon Nanotubes by Using the Nonlocal Timoshenko Beam Theory

    NASA Astrophysics Data System (ADS)

    Zidour, M.; Daouadji, T. H.; Benrahou, K. H.; Tounsi, A.; Adda Bedia, El A.; Hadji, L.

    2014-03-01

    On the basis of the nonlocal elasticity theory, the Timoshenko beam model is utilized to investigate the elastic buckling of chiral single-walled carbon nanotubes (SWCNTs) under axial compression. Based on the governing equations of the nonlocal Timoshenko beam model, an analytical solution for nonlocal critical buckling loads is obtained. The influence of a nonlocal small-scale coefficient, the vibration mode number, the chirality of SWWCNTs, and their aspect ratio on the nonlocal critical buckling loads is studied and discussed.

  10. Ermakov's Superintegrable Toy and Nonlocal Symmetries

    NASA Astrophysics Data System (ADS)

    Leach, P. G. L.; Karasu Kalkanli, A.; Nucci, M. C.; Andriopoulos, K.

    2005-11-01

    We investigate the symmetry properties of a pair of Ermakov equations. The system is superintegrable and yet possesses only three Lie point symmetries with the algebra sl(2, R). The number of point symmetries is insufficient and the algebra unsuitable for the complete specification of the system. We use the method of reduction of order to reduce the nonlinear fourth-order system to a third-order system comprising a linear second-order equation and a conservation law. We obtain the representation of the complete symmetry group from this system. Four of the required symmetries are nonlocal and the algebra is the direct sum of a one-dimensional Abelian algebra with the semidirect sum of a two-dimensional solvable algebra with a two-dimensional Abelian algebra. The problem illustrates the difficulties which can arise in very elementary systems. Our treatment demonstrates the existence of possible routes to overcome these problems in a systematic fashion.

  11. 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.}

  12. Nonlinear and nonlocal rheology of jammed matter

    NASA Astrophysics Data System (ADS)

    Tighe, Brian

    Emulsions, foams, and grains all jam into a weakly elastic state when confined by pressure. By now the mechanics of jammed matter is well understood in the case of slow, weak, and homogeneous forcing - but in reality, it is rare for all three of these assumptions to hold. Here we demonstrate the complex rheology that results when jammed materials are forced at finite rate, finite amplitude, and finite wavelength. Using computer simulations, we subject dense soft sphere packings to a host of rheological tests, including stress relaxation, flow start-up, oscillatory shear, and standing wave forcing. These allow us to tease apart the influence of viscous, nonlinear, and nonlocal effects, and also to probe the link between particle dynamics and bulk response. We identify strain, time, and length scales that depend critically on the distance to the jamming transition, and which govern the onset of shear thinning, strain softening, and gradient elasticity.

  13. A simple nonlocal model for exchange.

    PubMed

    Janesko, Benjamin G

    2009-12-21

    This work presents a new nonlocal model for the exchange energy density. The model is obtained from the product of the Kohn-Sham one-particle density matrix used to construct exact [Hartree-Fock-like (HF)] exchange, and an approximate density matrix used to construct local spin-density approximation (LSDA) exchange. The proposed exchange energy density has useful formal properties, including correct spin and coordinate scaling and the correct uniform limit. It can readily be evaluated in finite basis sets, with a computational scaling intermediate between HF exchange and semilocal quantities such as the noninteracting kinetic energy density. Applications to representative systems indicate that its properties are typically intermediate between HF and LSDA exchange, and often similar to global hybrids of HF and LSDA exchange. The model is proposed as a novel "Rung 3.5" ingredient for constructing approximate exchange-correlation functionals.

  14. 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.

  15. Petschek reconnection with a nonlocalized resistivity

    SciTech Connect

    Baty, H.; Forbes, T. G.; Priest, E. R.

    2009-01-15

    The impact of using a nonlocalized electrical resistivity having a spatially asymmetric profile is considered on two-dimensional steady-state magnetic reconnection. Starting from an initial Harris current sheet, time-dependent magnetohydrodynamic simulations are carried out over an entire spatial domain without any symmetry assumptions. It is shown that a stationary Petschek-like reconnection is obtained in the half-plane where a uniform resistivity is adopted. The latter configuration is maintained by a coexisting Petschek configuration that is formed in the second half-plane where the resistivity exhibits a classical exponentially decreasing variation. The structure of the central diffusion region is asymmetric, with a stagnation point flow which does not coincide with the X-point. These results suggest conditions under which a Petschek solution can indeed exist in the presence of a small uniform resistivity in the whole domain.

  16. MRI denoising using non-local means.

    PubMed

    Manjón, José V; Carbonell-Caballero, José; Lull, Juan J; García-Martí, Gracián; Martí-Bonmatí, Luís; Robles, Montserrat

    2008-08-01

    Magnetic Resonance (MR) images are affected by random noise which limits the accuracy of any quantitative measurements from the data. In the present work, a recently proposed filter for random noise removal is analyzed and adapted to reduce this noise in MR magnitude images. This parametric filter, named Non-Local Means (NLM), is highly dependent on the setting of its parameters. The aim of this paper is to find the optimal parameter selection for MR magnitude image denoising. For this purpose, experiments have been conducted to find the optimum parameters for different noise levels. Besides, the filter has been adapted to fit with specific characteristics of the noise in MR image magnitude images (i.e. Rician noise). From the results over synthetic and real images we can conclude that this filter can be successfully used for automatic MR denoising.

  17. Photonic multipartite entanglement conversion using nonlocal operations

    NASA Astrophysics Data System (ADS)

    Tashima, T.; Tame, M. S.; Özdemir, Ş. K.; Nori, F.; Koashi, M.; Weinfurter, H.

    2016-11-01

    We propose a simple setup for the conversion of multipartite entangled states in a quantum network with restricted access. The scheme uses nonlocal operations to enable the preparation of states that are inequivalent under local operations and classical communication, but most importantly does not require full access to the states. It is based on a flexible linear optical conversion gate that uses photons, which are ideally suited for distributed quantum computation and quantum communication in extended networks. In order to show the basic working principles of the gate, we focus on converting a four-qubit entangled cluster state to other locally inequivalent four-qubit states, such as the Greenberger-Horne-Zeilinger and symmetric Dicke states. We also show how the gate can be incorporated into extended graph state networks and can be used to generate variable entanglement and quantum correlations without entanglement but nonvanishing quantum discord.

  18. Nonlinear structure formation in nonlocal gravity

    NASA Astrophysics Data System (ADS)

    Barreira, Alexandre; Li, Baojiu; Hellwing, Wojciech A.; Baugh, Carlton M.; Pascoli, Silvia

    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 ~ 1014 Msolar/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 gtrsim 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.

  19. 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

  20. Nonlocality-driven supercontinuum white light generation in plasmonic nanostructures.

    PubMed

    Krasavin, A V; Ginzburg, P; Wurtz, G A; Zayats, A V

    2016-05-09

    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.

  1. Tests of quantum-gravity-induced nonlocality via optomechanical experiments

    NASA Astrophysics Data System (ADS)

    Belenchia, Alessio; Benincasa, Dionigi M. T.; Liberati, Stefano; Marin, Francesco; Marino, Francesco; Ortolan, Antonello

    2017-01-01

    The nonrelativistic limit of nonlocal modifications to the Klein-Gordon operator is studied, and the experimental possibilities of casting stringent constraints on the nonlocality scale via planned and/or current optomechanical experiments are discussed. Details of the perturbative analysis and semianalytical simulations leading to the dynamic evolution of a quantum harmonic oscillator in the presence of nonlocality reported in [A. Belenchia, D. M. T. Benincasa, S. Liberati, F. Marin, F. Marino, and A. Ortolan, Phys. Rev. Lett. 116, 161303 (2016), 10.1103/PhysRevLett.116.161303] are given, together with a comprehensive account of the experimental methodology with particular regard to sensitivity limitations related to thermal decoherence time and active cooling of the oscillator. Finally, a strategy for detecting nonlocality scales of the order of 10-22÷10-26 m by means of the spontaneous time-periodic squeezing of quantum-coherent states is provided.

  2. 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.

  3. Sparse representation-based image restoration via nonlocal supervised coding

    NASA Astrophysics Data System (ADS)

    Li, Ao; Chen, Deyun; Sun, Guanglu; Lin, Kezheng

    2016-10-01

    Sparse representation (SR) and nonlocal technique (NLT) have shown great potential in low-level image processing. However, due to the degradation of the observed image, SR and NLT may not be accurate enough to obtain a faithful restoration results when they are used independently. To improve the performance, in this paper, a nonlocal supervised coding strategy-based NLT for image restoration is proposed. The novel method has three main contributions. First, to exploit the useful nonlocal patches, a nonnegative sparse representation is introduced, whose coefficients can be utilized as the supervised weights among patches. Second, a novel objective function is proposed, which integrated the supervised weights learning and the nonlocal sparse coding to guarantee a more promising solution. Finally, to make the minimization tractable and convergence, a numerical scheme based on iterative shrinkage thresholding is developed to solve the above underdetermined inverse problem. The extensive experiments validate the effectiveness of the proposed method.

  4. 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.

  5. Self-adjoint integral operator for bounded nonlocal transport

    NASA Astrophysics Data System (ADS)

    Maggs, J. E.; Morales, G. J.

    2016-11-01

    An integral operator is developed to describe nonlocal transport in a one-dimensional system bounded on both ends by material walls. The "jump" distributions associated with nonlocal transport are taken to be Lévy α -stable distributions, which become naturally truncated by the bounding walls. The truncation process results in the operator containing a self-consistent, convective inward transport term (pinch). The properties of the integral operator as functions of the Lévy distribution parameter set [α ,γ ] and the wall conductivity are presented. The integral operator continuously recovers the features of local transport when α =2 . The self-adjoint formulation allows for an accurate description of spatial variation in the Lévy parameters in the nonlocal system. Spatial variation in the Lévy parameters is shown to result in internally generated flows. Examples of cold-pulse propagation in nonlocal systems illustrate the capabilities of the methodology.

  6. 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.

  7. Understanding quantum non-locality through pseudo-telepathy game

    NASA Astrophysics Data System (ADS)

    Kunkri, Samir

    2006-11-01

    Usually by quantum non-locality we mean that quantum mechanics can not be replaced by local realistic theory. On the other hand this nonlocal feature of quantum mechanics can not be used for instantaneous communication and hence it respect Einstein's special theory of relativity. But still it is not trivial as proved by various quantum information processing using entangled states. Recently there have been studies of hypothetical non-local system again respecting no-signalling which is beyond quantum mechanics. Here we study the power of such a hypothetical nonlocal box first suggested by Popescu et.al. in the context of recently suggested pseudo-telepathy game constructed from a Kochen-Specker set.

  8. Nonlocal conservation laws of the constant astigmatism equation

    NASA Astrophysics Data System (ADS)

    Hlaváč, Adam; Marvan, Michal

    2017-03-01

    For the constant astigmatism equation, we construct a system of nonlocal conservation laws (an abelian covering) closed under the reciprocal transformations. The corresponding potentials are functionally independent modulo a Wronskian type relation.

  9. Non-local gravity and comparison with observational datasets

    SciTech Connect

    Dirian, Yves; Foffa, Stefano; Kunz, Martin; Maggiore, Michele; Pettorino, Valeria E-mail: stefano.foffa@unige.ch E-mail: michele.maggiore@unige.ch

    2015-04-01

    We study the cosmological predictions of two recently proposed non-local modifications of General Relativity. Both models have the same number of parameters as ΛCDM, with a mass parameter m replacing the cosmological constant. We implement the cosmological perturbations of the non-local models into a modification of the CLASS Boltzmann code, and we make a full comparison to CMB, BAO and supernova data. We find that the non-local models fit these datasets very well, at the same level as ΛCDM. Among the vast literature on modified gravity models, this is, to our knowledge, the only example which fits data as well as ΛCDM without requiring any additional parameter. For both non-local models parameter estimation using Planck +JLA+BAO data gives a value of H{sub 0} slightly higher than in ΛCDM.

  10. 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.

  11. Self-adjoint integral operator for bounded nonlocal transport.

    PubMed

    Maggs, J E; Morales, G J

    2016-11-01

    An integral operator is developed to describe nonlocal transport in a one-dimensional system bounded on both ends by material walls. The "jump" distributions associated with nonlocal transport are taken to be Lévy α-stable distributions, which become naturally truncated by the bounding walls. The truncation process results in the operator containing a self-consistent, convective inward transport term (pinch). The properties of the integral operator as functions of the Lévy distribution parameter set [α,γ] and the wall conductivity are presented. The integral operator continuously recovers the features of local transport when α=2. The self-adjoint formulation allows for an accurate description of spatial variation in the Lévy parameters in the nonlocal system. Spatial variation in the Lévy parameters is shown to result in internally generated flows. Examples of cold-pulse propagation in nonlocal systems illustrate the capabilities of the methodology.

  12. 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.

  13. 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.

  14. [A non-local means approach for PET image denoising].

    PubMed

    Yin, Yong; Sun, Weifeng; Lu, Jie; Liu, Tonghai

    2010-04-01

    Denoising is an important issue for medical image processing. Based on the analysis of the Non-local means algorithm recently reported by Buades A, et al. in international journals we herein propose adapting it for PET image denoising. Experimental de-noising results for real clinical PET images show that Non-local means method is superior to median filtering and wiener filtering methods and it can suppress noise in PET images effectively and preserve important details of structure for diagnosis.

  15. 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.

  16. Local implementation of nonlocal operations with block forms

    NASA Astrophysics Data System (ADS)

    Zhao, Ning Bo; Wang, An Min

    2008-07-01

    We investigate the local implementation of nonlocal operations with the block matrix form, and propose a protocol for any diagonal or offdiagonal block operation. We generalize this method to the two-party multiqubit case and the multiparty case. We also compare the local implementation of nonlocal block operations with the remote implementation of local operations [Huelga , Phys. Rev. A 63, 042303 (2001)], and point out a relation between them.

  17. A Systems-Theoretical Generalization of Non-Local Correlations

    NASA Astrophysics Data System (ADS)

    von Stillfried, Nikolaus

    Non-local correlations between quantum events are not due to a causal interaction in the sense of one being the cause for the other. In principle, the correlated events can thus occur simultaneously. Generalized Quantum Theory (GQT) formalizes the idea that non-local phenomena are not exclusive to quantum mechanics, e.g. due to some specific properties of (sub)atomic particles, but that they instead arise as a consequence of the way such particles are arranged into systems. Non-local phenomena should hence occur in any system which fulfils the necessary systems-theoretical parameters. The two most important parameters with respect to non-local correlations seem to be a conserved global property of the system as a whole and sufficient degrees of freedom of the corresponding property of its subsystems. Both factors place severe limitations on experimental observability of the phenomena, especially in terms of replicability. It has been suggested that reported phenomena of a so-called synchronistic, parapsychological or paranormal kind could be understood as instances of systems-inherent non-local correlations. From a systems-theoretical perspective, their phenomenology (including the favorable conditions for their occurrence and their lack of replicability) displays substantial similarities to non-local correlations in quantum systems and matches well with systems-theoretical parameters, thus providing circumstantial evidence for this hypothesis.

  18. Nonlocality as a function of PDE type

    NASA Astrophysics Data System (ADS)

    Maker, David

    2007-08-01

    Here we postulate a geometrical 2D closed path invariant ds=ds t+ds Φ (geometrical interpretation) with the observer's own 2D ds=ds t+ds Φ then giving a total direct sum 2⊕2=4 degrees of freedom for the resulting (observer translation) Dirac equation pde and its ψ. There are several, more or less technical, ways of stating the consequences of that new "observer interpretation" Dirac equation pde. Two such ways are "wave function collapse," and in a more common sense vein "Bertlmann's socks." Note that wavefunction collapse to ψ then (and experimental nonlocality implications) is the "observables translation" of that fundamental postulate and so not itself postulated. Also that geometrical postulate does not allow a Bohmian hidden variable interpretation because of its fundamental nature (i.e., we cannot go any deeper). For example that postulate states no x or p that we would be certain of in some hidden variable context. Thus we can ignore here the straw man arguments of J.S. Bell that are in response to Bohmian hidden variable theories only. Thus there cannot result Bell's kink at θ=0 in the correlation function between the polarization measurements on the two ends of an EPR experimental apparatus (Bell, 1987). Recall this kink required correlating in a hidden variable, classical statistical mechanical context, with resulting superluminal implications. Also note here the "observer interpretation" boundary condition conservation of angular momentum of the initial singlet state for our 4D Dirac pde results in this being a time independent solution to this pde. Thus wave function collapse to the measured value in no way implies superluminal communication. In laymen terms it is just the Bertlmann's socks common sense fact that we knew before hand about the original singlet state of the central emitter, no superluminal communication between the left and right ends of the Aspect apparatus was required to know about this. Thus our new observer representation

  19. Nonlocal correlations in a macroscopic measurement scenario

    NASA Astrophysics Data System (ADS)

    Kunkri, Samir; Banik, Manik; Ghosh, Sibasish

    2017-02-01

    Nonlocality is one of the main characteristic features of quantum systems involving more than one spatially separated subsystem. It is manifested theoretically as well as experimentally through violation of some local realistic inequality. On the other hand, classical behavior of all physical phenomena in the macroscopic limit gives a general intuition that any physical theory for describing microscopic phenomena should resemble classical physics in the macroscopic regime, the so-called macrorealism. In the 2-2-2 scenario (two parties, with each performing two measurements and each measurement having two outcomes), contemplating all the no-signaling correlations, we characterize which of them would exhibit classical (local realistic) behavior in the macroscopic limit. Interestingly, we find correlations which at the single-copy level violate the Bell-Clauser-Horne-Shimony-Holt inequality by an amount less than the optimal quantum violation (i.e., Cirel'son bound 2 √{2 } ), but in the macroscopic limit gives rise to a value which is higher than 2 √{2 } . Such correlations are therefore not considered physical. Our study thus provides a sufficient criterion to identify some of unphysical correlations.

  20. 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.

  1. 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.

  2. Nonlocal means image denoising using orthogonal moments.

    PubMed

    Kumar, Ahlad

    2015-09-20

    An image denoising method in moment domain has been proposed. The denoising involves the development and evaluation based on the modified nonlocal means (NLM) algorithm. It uses the similarity of the neighborhood, evaluated using Krawtchouk moments. The results of the proposed denoising method have been validated using peak signal-to-noise ratio (PSNR), a well-known quality measure such as structural similarity (SSIM) index and blind/referenceless image spatial quality evaluator (BRISQUE). The denoising algorithm has been evaluated for synthetic and real clinical images contaminated by Gaussian, Poisson, and Rician noise. The algorithm performs well compared to the Zernike based denoising as indicated by the PSNR, SSIM, and BRISQUE scores of the denoised images with an improvement of 3.1 dB, 0.1285, and 4.23, respectively. Further, comparative analysis of the proposed work with the existing techniques has also been performed. It has been observed that the results are competitive in terms of PSNR, SSIM, and BRISQUE scores when evaluated for varying levels of noise.

  3. Nonlinear and Nonlocal Feedbacks in an Aquaplanet

    NASA Astrophysics Data System (ADS)

    Feldl, N.; Roe, G.

    2012-12-01

    The power of the feedback framework lies in its ability to reveal the energy pathways by which the climate system adjusts to an imposed forcing. By understanding the closure of the energy budget in as much detail and precision as possible, and within as clean an experimental set-up as possible, we are also able to isolate nonlinear interactions between feedbacks. For an aquaplanet simulation under perpetual equinox conditions, we account for rapid tropospheric adjustments to CO2 and diagnose radiative kernels for this precise model set-up. We characterize the contributions of feedbacks, heat transport, and nonlinearities in controlling the meridional structure of the climate response. The presence of strongly positive subtropical feedbacks, combined with polar amplification, implies a critical role for transport and nonlinear effects, with the latter acting to substantially reduce global climate sensitivity. At the hemispheric scale, a rich picture emerges: net heat divergence away from strong positive feedbacks in the tropics; nonlinearities induced by circulation changes that cool the tropics and warm the high-latitudes; and strong ice-line feedbacks that drive further amplification of polar warming. Overall, these results highlight how spatial patterns in feedbacks affect both the local and nonlocal climate response, with implications for regional predictability.

  4. Nonlocal energy density functionals for pairing and beyond-mean-field calculations

    NASA Astrophysics Data System (ADS)

    Bennaceur, K.; Idini, A.; Dobaczewski, J.; Dobaczewski, P.; Kortelainen, M.; Raimondi, F.

    2017-04-01

    We propose to use two-body regularized finite-range pseudopotential to generate nuclear energy density functional (EDF) in both particle–hole and particle–particle channels, which makes it free from self-interaction and self-pairing, and also free from singularities when used beyond mean field. We derive a sequence of pseudopotentials regularized up to next-to-leading order and next-to-next-to-leading order, which fairly well describe infinite-nuclear-matter properties and finite open-shell paired and/or deformed nuclei. Since pure two-body pseudopotentials cannot generate sufficiently large effective mass, the obtained solutions constitute a preliminary step towards future implementations, which will include, e.g., EDF terms generated by three-body pseudopotentials.

  5. Combined 4-component and relativistic pseudopotential study of ThO for the electron electric dipole moment search

    NASA Astrophysics Data System (ADS)

    Skripnikov, L. V.

    2016-12-01

    A precise theoretical study of the electronic structure of heavy atom diatomic molecules is of key importance to interpret the experiments in the search for violation of time-reversal (T) and spatial-parity (P) symmetries of fundamental interactions in terms of the electron electric dipole moment, eEDM, and dimensionless constant, kT,P, characterizing the strength of the T,P-odd pseudoscalar-scalar electron-nucleus neutral current interaction. The ACME collaboration has recently improved limits on these quantities using a beam of ThO molecules in the electronic H3Δ1 state [J. Baron et al., Science 343, 269 (2014)]. We apply the combined direct relativistic 4-component and two-step relativistic pseudopotential/restoration approaches to a benchmark calculation of the effective electric field, Eeff, parameter of the T,P-odd pseudoscalar-scalar interaction, WT,P, and hyperfine structure constant in Δ31 state of the ThO molecule. The first two parameters are required to interpret the experimental data in terms of the eEDM and kT,P constant. We have investigated the electron correlation for all of the 98 electrons of ThO simultaneously up to the level of the coupled cluster with single, double, and noniterative triple amplitudes, CCSD(T), theory. Contributions from iterative triple and noniterative quadruple cluster amplitudes for the valence electrons have been also treated. The obtained values are Eeff = 79.9 GV/cm, WT,P = 113.1 kHz. The theoretical uncertainty of these values is estimated to be about two times smaller than that of our previous study [L. V. Skripnikov and A. V. Titov, J. Chem. Phys., 142, 024301 (2015)]. It was found that the correlation of the inner- and outer-core electrons contributes 9% to the effective electric field. The values of the molecule frame dipole moment of the Δ31 state and the H3Δ1 →X1Σ+ transition energy of ThO calculated within the same methods are in a very good agreement with the experiment.

  6. G4CEP: A G4 theory modification by including pseudopotential for molecules containing first-, second- and third-row representative elements

    NASA Astrophysics Data System (ADS)

    Silva, Cleuton de Souza; Pereira, Douglas Henrique; Custodio, Rogério

    2016-05-01

    The G4CEP composite method was developed from the respective G4 all-electron version by considering the implementation of compact effective pseudopotential (CEP). The G3/05 test set was used as reference to benchmark the adaptation by treating in this work atoms and compounds from the first and second periods of the periodic table, as well as representative elements of the third period, comprising 440 thermochemical data. G4CEP has not reached a so high level of accuracy as the G4 all-electron theory. G4CEP presented a mean absolute error around 1.09 kcal mol-1, while the original method presents a deviation corresponding to 0.83 kcal mol-1. The similarity of the optimized molecular geometries between G4 and G4CEP indicates that the core-electron effects and basis set adjustments may be pointed out as a significant factor responsible for the large discrepancies between the pseudopotential results and the experimental data, or even that the all-electron calculations are more efficient either in its formulation or in the cancellation of errors. When the G4CEP mean absolute error (1.09 kcal mol-1) is compared to 1.29 kcal mol-1 from G3CEP, it does not seem so efficient. However, while the G3CEP uncertainty is ±4.06 kcal mol-1, the G4CEP deviation is ±2.72 kcal mol-1. Therefore, the G4CEP theory is considerably more reliable than any previous combination of composite theory and pseudopotential, particularly for enthalpies of formation and electron affinities.

  7. G4CEP: A G4 theory modification by including pseudopotential for molecules containing first-, second- and third-row representative elements.

    PubMed

    Silva, Cleuton de Souza; Pereira, Douglas Henrique; Custodio, Rogério

    2016-05-28

    The G4CEP composite method was developed from the respective G4 all-electron version by considering the implementation of compact effective pseudopotential (CEP). The G3/05 test set was used as reference to benchmark the adaptation by treating in this work atoms and compounds from the first and second periods of the periodic table, as well as representative elements of the third period, comprising 440 thermochemical data. G4CEP has not reached a so high level of accuracy as the G4 all-electron theory. G4CEP presented a mean absolute error around 1.09 kcal mol(-1), while the original method presents a deviation corresponding to 0.83 kcal mol(-1). The similarity of the optimized molecular geometries between G4 and G4CEP indicates that the core-electron effects and basis set adjustments may be pointed out as a significant factor responsible for the large discrepancies between the pseudopotential results and the experimental data, or even that the all-electron calculations are more efficient either in its formulation or in the cancellation of errors. When the G4CEP mean absolute error (1.09 kcal mol(-1)) is compared to 1.29 kcal mol(-1) from G3CEP, it does not seem so efficient. However, while the G3CEP uncertainty is ±4.06 kcal mol(-1), the G4CEP deviation is ±2.72 kcal mol(-1). Therefore, the G4CEP theory is considerably more reliable than any previous combination of composite theory and pseudopotential, particularly for enthalpies of formation and electron affinities.

  8. Pseudopotential approach for dust acoustic solitary waves in dusty plasmas with kappa-distributed ions and electrons and dust grains having power law size distribution

    SciTech Connect

    Banerjee, Gadadhar; Maitra, Sarit

    2015-04-15

    Sagdeev's pseudopotential method is used to study small as well as arbitrary amplitude dust acoustic solitons in a dusty plasma with kappa distributed electrons and ions with dust grains having power law size distribution. The existence of potential well solitons has been shown for suitable parametric region. The criterion for existence of soliton is derived in terms of upper and lower limit for Mach numbers. The numerical results show that the size distribution can affect the existence as well as the propagation characteristics of the dust acoustic solitons. The effect of kappa distribution is also highlighted.

  9. Explicit inclusion of nonlocality in (d,p) transfer reactions

    DOE PAGES

    Titus, L. J.; Nunes, F. M.; Potel, G.

    2016-01-06

    Traditionally, nucleon-nucleus optical potentials are made local for convenience. In recent work we studied the effects of including nonlocal interactions explicitly in the final state for (d,p) reactions, within the distorted wave Born approximation. Our goal in this work is to develop an improved formalism for nonlocal interactions that includes deuteron breakup and to use it to study the effects of including nonlocal interactions in transfer (d,p) reactions, in both the deuteron and the proton channel. We extend the finite-range adiabatic distorted wave approximation to include nonlocal nucleon optical potentials. We apply our method to (d,p) reactions on 16O, 40Ca,more » 48Ca, 126Sn, 132Sn, and 208Pb at 10, 20 and 50 MeV. Here, we find that nonlocality in the deuteron scattering state reduces the amplitude of the wave function in the nuclear interior, and shifts the wave function outward. In many cases, this has the effect of increasing the transfer cross section at the first peak of the angular distributions. This increase was most significant for heavy targets and for reactions at high energies. Lastly, our systematic study shows that, if only local optical potentials are used in the analysis of experimental (d, p) transfer cross sections, the extracted spectroscopic factors may be incorrect by up to 40% due to the local approximation.« less

  10. 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.

  11. A nonlocal contact formulation for confined granular systems

    NASA Astrophysics Data System (ADS)

    Gonzalez, Marcial; Cuitiño, Alberto M.

    2012-02-01

    We present a nonlocal formulation of contact mechanics that accounts for the interplay of deformations due to multiple contact forces acting on a single particle. The analytical formulation considers the effects of nonlocal mesoscopic deformations characteristic of confined granular systems and, therefore, removes the classical restriction of independent contacts. This is in sharp contrast to traditional contact mechanics theories, which are strictly local and assume that contacts are independent regardless the confinement of the particles. For definiteness, we restrict attention to elastic spheres in the absence of gravitational forces, adhesion or friction. Hence, a notable feature of the nonlocal formulation is that, when nonlocal effects are neglected, it reduces to Hertz theory. Furthermore, we show that, under the preceding assumptions and up to moderate macroscopic deformations, the predictions of the nonlocal contact formulation are in remarkable agreement with detailed finite-element simulations and experimental observations, and in large disagreement with Hertz theory predictions—supporting that the assumption of independent contacts only holds for small deformations. The discrepancy between the extended theory presented in this work and Hertz theory is borne out by studying periodic homogeneous systems and disordered heterogeneous systems.

  12. 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.

  13. Multi-scale non-local denoising method in neuroimaging.

    PubMed

    Chen, Yiping; Wang, Cheng; Wang, Liansheng

    2016-03-17

    Non-local means algorithm can remove image noise in a unique way that is contrary to traditional techniques. This is because it not only smooths the image but it also preserves the information details of the image. However, this method suffers from high computational complexity. We propose a multi-scale non-local means method in which adaptive multi-scale technique is implemented. In practice, based on each selected scale, the input image is divided into small blocks. Then, we remove the noise in the given pixel by using only one block. This can overcome the low efficiency problem caused by the original non-local means method. Our proposed method also benefits from the local average gradient orientation. In order to perform evaluation, we compared the processed images based on our technique with the ones by the original and the improved non-local means denoising method. Extensive experiments are conducted and results shows that our method is faster than the original and the improved non-local means method. It is also proven that our implemented method is robust enough to remove noise in the application of neuroimaging.

  14. Maximum nonlocality in the (3,2,2) scenario

    NASA Astrophysics Data System (ADS)

    López-Rosa, Sheila; Xu, Zhen-Peng; Cabello, Adán

    2016-12-01

    We identify the simplest combinations of entanglement and incompatibility giving the maximum quantum violation for each of the 46 classes of tight Bell inequalities for the (3,2,2) scenario, i.e., three parties, two measurements per party, and two outcomes per measurement. This allows us to classify the maximum quantum nonlocality according to the simplest resources needed to achieve it. We show that entanglement and incompatibility only produce maximum nonlocality when they are combined in specific ways. For each entanglement class there is, in most cases, just one incompatibility class leading to maximum nonlocality. We also identify two interesting cases. We show that the maximum quantum violation of Śliwa inequality 23 only occurs when the third party measures the identity, so nonlocality cannot increase when we add a third party to the bipartite case. Almost quantum correlations predict that adding a new party increases nonlocality. This points out that either almost quantum correlations violate a fundamental principle or that there is a form of tripartite entanglement which quantum theory cannot account for. The other interesting case is the maximum quantum violation of Śliwa inequality 26, which, like the Mermin inequality, requires maximum incompatibility for all parties. In contrast, it requires a specific entangled state which has the same tripartite negativity as the W state.

  15. 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.

  16. Nonlocal means filter-based speckle tracking.

    PubMed

    Afsham, Narges; Rasoulian, Abtin; Najafi, Mohammad; Abolmaesumi, Purang; Rohling, Robert

    2015-08-01

    The objective of sensorless freehand 3-D ultrasound imaging is to eliminate the need for additional tracking hardware and reduce cost and complexity. However, the accuracy of current out-of-plane pose estimation is main obstacle for full 6-degree-of-freedom (DoF) tracking. We propose a new filter-based speckle tracking framework to increase the accuracy of out-of-plane displacement estimation. In this framework, we use the displacement estimation not only for the specific speckle pattern, but for the entire image. We develop a nonlocal means (NLM) filter based on a probabilistic normal variance mixture model of ultrasound, known as Rician-inverse Gaussian (RiIG). To aggregate the local displacement estimations, Stein's unbiased risk estimate (SURE) is used as a quality measure of the estimations. We derive an explicit analytical form of SURE for the RiIG model and use it as a weight factor. The proposed filter-based speckle tracking framework is formulated and evaluated for three commonly used noise models, including the RiIG model. The out-of-plane estimations are compared with our previously proposed model-based algorithm in a set of ex vivo experiments for different tissue types. We show that the proposed RiIG filter-based method is more accurate and less tissue-dependent than the other methods. The proposed method is also evaluated in vivo on the spines of five different subjects to assess the feasibility of a clinical application. The 6-DoF transform parameters are estimated and compared with the electromagnetic tracker measurements. The results show higher tracking accuracy for typical small lateral displacements and tilt rotations between image pairs.

  17. Slater's nonlocal exchange potential and beyond

    NASA Astrophysics Data System (ADS)

    Howard, I. A.; March, N. H.

    The local density approximation (LDA) to the exchange potential Vx(r), namely the ρ1/3 electron gas form, was already transcended in Slater's 1951 paper. Here, using Dirac's 1930 form for the exchange energy density γx(r), the Slater (Sl) nonlocal exchange potential V Slx(r) is defined by 2γx(r)/ρ(r). In spherical atomic ions, say the Be or Ne-like series, this form V Slx(r) already has the correct behavior in both r → 0 and r → ∞ limits when known properties of the exchange energy density γx(r) and the ground-state electron density ρ(r) are invoked. As examples, some emphasis will first be given to the use of the so-called 1/Z expansion in such spherical atomic ions, for which analytic results can be obtained for both γx(r) and ρ(r) as the atomic number Z becomes large. The usefulness of the 1/Z expansion is directly demonstrated for the U atomic ion with 18 electrons by comparison with the optimized effective potential prediction. A rather general integral equation for the exchange potential is then proposed. Finally, without appeal to large Z, two-level systems are considered, with specific reference to the Be atom and to the LiH molecule. In all cases treated, the Slater potential V Slx(r) is a valuable starting point, even though it needs appreciable quantitative corrections reflecting directly atomic shell structure.

  18. Scaling of the Nonlocal Growth Equations with Spatially and Temporally Correlated Noise

    NASA Astrophysics Data System (ADS)

    Tang, Gang; Ma, Benkun

    The Flory-type approach proposed by Hentschel and Family [Phys. Rev. Lett. 66, 1982 (1991)] is generalized to analyze the scaling behavior of the nonlocal surface growth equations with long-range spatially and temporally correlated noise. The scaling exponents in both the weak- and strong-coupling regions are obtained. The growth equations studied include the nonlocal Kardar-Parisi-Zhang, nonlocal Sun-Guo-Grant, and nonlocal Lai-Das Sarma-Villain equation.

  19. Torsional wave propagation in multiwalled carbon nanotubes using nonlocal elasticity

    NASA Astrophysics Data System (ADS)

    Arda, Mustafa; Aydogdu, Metin

    2016-03-01

    Torsional wave propagation in multiwalled carbon nanotubes is studied in the present work. Governing equation of motion of multiwalled carbon nanotube is obtained using Eringen's nonlocal elasticity theory. The effect of van der Waals interaction coefficient is considered between inner and outer nanotubes. Dispersion relations are obtained and discussed in detail. Effect of nonlocal parameter and van der Waals interaction to the torsional wave propagation behavior of multiwalled carbon nanotubes is investigated. It is obtained that torsional van der Waals interaction between adjacent tubes can change the rotational direction of multiwalled carbon nanotube as in-phase or anti-phase. The group and escape velocity of the waves converge to a limit value in the nonlocal elasticity approach.

  20. Separability of dynamical and nonlocal correlations in three dimensions

    NASA Astrophysics Data System (ADS)

    Schäfer, T.; Toschi, A.; Tomczak, Jan M.

    2015-03-01

    While second-order phase transitions always cause strong nonlocal fluctuations, their effect on spectral properties crucially depends on the dimensionality. For the important case of three dimensions, we show that the electron self-energy is well separable into a local dynamical part and static nonlocal contributions. In particular, our nonperturbative many-body calculations for the three-dimensional Hubbard model at different fillings demonstrate that the quasiparticle weight remains essentially momentum independent, including in the presence of overall large nonlocal corrections to the self-energy. Relying on this insight, we propose a "space-time-separated" scheme for many-body perturbation theory that is up to ten times more efficient than current implementations. Besides these far-reaching implications for state-of-the-art electronic structure schemes, our analysis will also provide guidance to the quest of going beyond them.

  1. Generalized conservation laws in non-local field theories

    NASA Astrophysics Data System (ADS)

    Kegeles, Alexander; Oriti, Daniele

    2016-04-01

    We propose a geometrical treatment of symmetries in non-local field theories, where the non-locality is due to a lack of identification of field arguments in the action. We show that the existence of a symmetry of the action leads to a generalized conservation law, in which the usual conserved current acquires an additional non-local correction term, obtaining a generalization of the standard Noether theorem. We illustrate the general formalism by discussing the specific physical example of complex scalar field theory of the type describing the hydrodynamic approximation of Bose-Einstein condensates. We expect our analysis and results to be of particular interest for the group field theory formulation of quantum gravity.

  2. Bound on Hardy's nonlocality from the principle of information causality

    SciTech Connect

    Ahanj, Ali; Kunkri, Samir; Rai, Ashutosh; Rahaman, Ramij; Joag, Pramod S.

    2010-03-15

    Recently, the principle of nonviolation of information causality [Nature 461, 1101 (2009)] has been proposed as one of the foundational properties of nature. We explore the Hardy's nonlocality theorem for two-qubit systems, in the context of generalized probability theory, restricted by the principle of nonviolation of information causality. Applying a sufficient condition for information causality violation, we derive an upper bound on the maximum success probability of Hardy's nonlocality argument. We find that the bound achieved here is higher than that allowed by quantum mechanics but still much less than what the no-signaling condition permits. We also study the Cabello type nonlocality argument (a generalization of Hardy's argument) in this context.

  3. Nonlocal thermal transport across embedded few-layer graphene sheets.

    PubMed

    Liu, Ying; Huxtable, Scott T; Yang, Bao; Sumpter, Bobby G; Qiao, Rui

    2014-12-17

    Thermal transport across the interfaces between few-layer graphene sheets and soft materials exhibits intriguing anomalies when interpreted using the classical Kapitza model, e.g. the conductance of the same interface differs greatly for different modes of interfacial thermal transport. Using atomistic simulations, we show that such thermal transport follows a nonlocal flux-temperature drop constitutive law and is characterized jointly by a quasi-local conductance and a nonlocal conductance instead of the classical Kapitza conductance. The nonlocal model enables rationalization of many anomalies of the thermal transport across embedded few-layer graphene sheets and should be used in studies of interfacial thermal transport involving few-layer graphene sheets or other ultra-thin layered materials.

  4. Nonlocal quartic interactions and universality classes in perovskite manganites.

    PubMed

    Singh, Rohit; Dutta, Kishore; Nandy, Malay K

    2015-07-01

    A modified Ginzburg-Landau model with a screened nonlocal interaction in the quartic term is treated via Wilson's renormalization-group scheme at one-loop order to explore the critical behavior of the paramagnetic-to-ferromagnetic phase transition in perovskite manganites. We find the Fisher exponent η to be O(ε) and the correlation exponent to be ν=1/2+O(ε) through epsilon expansion in the parameter ε=d(c)-d, where d is the space dimension, d(c)=4+2σ is the upper critical dimension, and σ is a parameter coming from the nonlocal interaction in the model Hamiltonian. The ensuing critical exponents in three dimensions for different values of σ compare well with various existing experimental estimates for perovskite manganites with various doping levels. This suggests that the nonlocal model Hamiltonian contains a wide variety of such universality classes.

  5. Image and video restorations via nonlocal kernel regression.

    PubMed

    Zhang, Haichao; Yang, Jianchao; Zhang, Yanning; Huang, Thomas S

    2013-06-01

    A nonlocal kernel regression (NL-KR) model is presented in this paper for various image and video restoration tasks. The proposed method exploits both the nonlocal self-similarity and local structural regularity properties in natural images. The nonlocal self-similarity is based on the observation that image patches tend to repeat themselves in natural images and videos, and the local structural regularity observes that image patches have regular structures where accurate estimation of pixel values via regression is possible. By unifying both properties explicitly, the proposed NL-KR framework is more robust in image estimation, and the algorithm is applicable to various image and video restoration tasks. In this paper, we apply the proposed model to image and video denoising, deblurring, and superresolution reconstruction. Extensive experimental results on both single images and realistic video sequences demonstrate that the proposed framework performs favorably with previous works both qualitatively and quantitatively.

  6. Bounding the persistency of the nonlocality of W states

    NASA Astrophysics Data System (ADS)

    Diviánszky, Péter; Trencsényi, Réka; Bene, Erika; Vértesi, Tamás

    2016-04-01

    The nonlocal properties of the W states are investigated under particle loss. By removing all but two particles from an N -qubit W state, the resulting two-qubit state is still entangled. Hence, the W state has high persistency of entanglement. We ask an analogous question regarding the persistency of nonlocality [see N. Brunner and T. Vértesi, Phys. Rev. A 86, 042113 (2012), 10.1103/PhysRevA.86.042113]. Namely, we inquire what is the minimal number of particles that must be removed from the W state so that the resulting state becomes local. We bound this value in function of N qubits by considering Bell nonlocality tests with two alternative settings per site. In particular, we find that this value is between 2 N /5 and N /2 for large N . We also develop a framework to establish bounds for more than two settings per site.

  7. Linear delta-f simulations of nonlocal electron heat transport

    NASA Astrophysics Data System (ADS)

    Brunner, S.; Valeo, E.; Krommes, J. A.

    2000-07-01

    Nonlocal electron heat transport calculations are carried out by making use of some of the techniques developed previously for extending the δf method to transport time scale simulations [S. Brunner, E. Valeo, and J. Krommes, Phys. Plasmas 6, 4504 (1999)]. By considering the relaxation of small amplitude temperature perturbations of an 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 [V. Yu. Bychenkov et al., Phys. Rev. Lett. 75, 4405 (1995)]. 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.

  8. Jammed Clusters and Non-locality in Dense Granular Flows

    NASA Astrophysics Data System (ADS)

    Kharel, Prashidha; Rognon, Pierre

    We investigate the micro-mechanisms underpinning dense granular flow behaviour from a series of DEM simulations of pure shear flows of dry grains. We observe the development of transient clusters of jammed particles within the flow. Typical size of such clusters is found to scale with the inertial number with a power law that is similar to the scaling of shear-rate profile relaxation lengths observed previously. Based on the simple argument that transient clusters of size l exist in the dense flow regime, the formulation of steady state condition for non-homogeneous shear flow results in a general non-local relation, which is similar in form to the non-local relation conjectured for soft glassy flows. These findings suggest the formation of jammed clusters to be the key micro-mechanism underpinning non-local behaviour in dense granular flows. Particles and Grains Laboratory, School of Civil Engineering, The University of Sydney, Sydney, NSW 2006, Australia.

  9. Hardy's proof of nonlocality in the presence of noise

    SciTech Connect

    Ghirardi, GianCarlo; Marinatto, Luca

    2006-12-15

    We extend the validity of Hardy's nonlocality without inequalities proof to cover the case of special one-parameter classes of nonpure statistical operators. These mixed states are obtained by mixing the Hardy states with a completely chaotic noise or with a colored noise and they represent a realistic description of imperfect preparation processes of (pure) Hardy states in nonlocality experiments. Within such a framework we are able to exhibit a precise range of values of the parameter measuring the noise affecting the nonoptimal preparation of an arbitrary Hardy state, for which it is still possible to put into evidence genuine nonlocal effects. Equivalently, our work exhibits particular classes of bipartite mixed states whose constituents do not admit any local and deterministic hidden variable model reproducing the quantum mechanical predictions.

  10. Nonlocal thermal transport across embedded few-layer graphene sheets

    SciTech Connect

    Liu, Ying; Huxtable, Scott T.; Yang, Bao; Sumpter, Bobby G.; Qiao, Rui

    2014-11-13

    Thermal transport across the interfaces between few-layer graphene sheets and soft materials exhibits intriguing anomalies when interpreted using the classical Kapitza model, e.g., the conductance of the same interface differs greatly for different modes of interfacial thermal transport. Using atomistic simulations, we show that such thermal transport follows a nonlocal flux-temperature drop constitutive law and is characterized jointly by a quasi-local conductance and a nonlocal conductance instead of the classical Kapitza conductance. Lastly, the nonlocal model enables rationalization of many anomalies of the thermal transport across embedded few-layer graphene sheets and should be used in studies of interfacial thermal transport involving few-layer graphene sheets or other ultra-thin layered materials.

  11. A Framework for Bounding Nonlocality of State Discrimination

    NASA Astrophysics Data System (ADS)

    Childs, Andrew M.; Leung, Debbie; Mančinska, Laura; Ozols, Maris

    2013-11-01

    We consider the class of protocols that can be implemented by local quantum operations and classical communication (LOCC) between two parties. In particular, we focus on the task of discriminating a known set of quantum states by LOCC. Building on the work in the paper Quantum nonlocality without entanglement (Bennett et al., Phys Rev A 59:1070-1091, 1999), we provide a framework for bounding the amount of nonlocality in a given set of bipartite quantum states in terms of a lower bound on the probability of error in any LOCC discrimination protocol. We apply our framework to an orthonormal product basis known as the domino states and obtain an alternative and simplified proof that quantifies its nonlocality. We generalize this result for similar bases in larger dimensions, as well as the “rotated” domino states, resolving a long-standing open question (Bennett et al., Phys Rev A 59:1070-1091, 1999).

  12. Magneto-electro-elastic buckling analysis of nonlocal curved nanobeams

    NASA Astrophysics Data System (ADS)

    Ebrahimi, Farzad; Reza Barati, Mohammad

    2016-09-01

    In this work, a size-dependent curved beam model is developed to take into account the effects of nonlocal stresses on the buckling behavior of curved magneto-electro-elastic FG nanobeams for the first time. The governing differential equations are derived based on the principle of virtual work and Euler-Bernoulli beam theory. The power-law function is employed to describe the spatially graded magneto-electro-elastic properties. By extending the radius of the curved nanobeam to infinity, the results of straight nonlocal FG beams can be rendered. The effects of magnetic potential, electric voltage, opening angle, nonlocal parameter, power-law index and slenderness ratio on buckling loads of curved MEE-FG nanobeams are studied.

  13. Nonlocal thermal transport across embedded few-layer graphene sheets

    DOE PAGES

    Liu, Ying; Huxtable, Scott T.; Yang, Bao; ...

    2014-11-13

    Thermal transport across the interfaces between few-layer graphene sheets and soft materials exhibits intriguing anomalies when interpreted using the classical Kapitza model, e.g., the conductance of the same interface differs greatly for different modes of interfacial thermal transport. Using atomistic simulations, we show that such thermal transport follows a nonlocal flux-temperature drop constitutive law and is characterized jointly by a quasi-local conductance and a nonlocal conductance instead of the classical Kapitza conductance. Lastly, the nonlocal model enables rationalization of many anomalies of the thermal transport across embedded few-layer graphene sheets and should be used in studies of interfacial thermal transportmore » involving few-layer graphene sheets or other ultra-thin layered materials.« less

  14. Nonlocal reactive transport with physical and chemical heterogeneity: Localization errors

    SciTech Connect

    Cushman, J.H.; Hu, B.X.; Deng, F.W.

    1995-09-01

    The origin of nonlocality in {open_quotes}macroscale{close_quotes} models for subsurface chemical transport is illustrated. It is argued that media that are either nonperiodic (e.g., media with evolving heterogeneity) or periodic viewed on a scale wherein a unit cell is discernible must display some nonlocality in the mean. A metaphysical argument suggests that owing to the scarcity of information on natural scales of heterogeneity and on scales of observation associated with an instrument window, constitutive theories for the mean concentration should at the outset of any modeling effort always be considered nonlocal. The intuitive appeal to nonlocality is reinforced with an analytical derivation of the constitutive theory for a conservative tracer without appeal to any mathematical approximations. Comparisons are made between the fully nonlocal (FNL), nonlocal in time (NLT), and fully localized (FL) theories. For conservative transport, there is little difference between the first-order FL and FNL models for spatial moments up to and including the third. However, for conservative transport the first-order NLT model differs significantly from the FNL model in the third spatial moments. For reactive transport, all spatial moments differ between the FNL and FL models. The second transverse-horizontal and third longitudinal-horizontal moments for the NLT model differ from the FNL model. These results suggest that localized first-order transport models for conservative tracers are reasonable if only lower-order moments are desired. However, when the chemical reacts with its environment, the localization approximation can lead to significant error in all moments, and a FNL model will in general be required for accurate simulation. 18 refs., 9 figs., 1 tab.

  15. Assessment of G3(MP2)//B3 theory including a pseudopotential for molecules containing first-, second-, and third-row representative elements

    SciTech Connect

    Rocha, Carlos Murilo Romero; Morgon, Nelson Henrique; Custodio, Rogério; Pereira, Douglas Henrique

    2013-11-14

    G3(MP2)//B3 theory was modified to incorporate compact effective potential (CEP) pseudopotentials, providing a theoretical alternative referred to as G3(MP2)//B3-CEP for calculations involving first-, second-, and third-row representative elements. The G3/05 test set was used as a standard to evaluate the accuracy of the calculated properties. G3(MP2)//B3-CEP theory was applied to the study of 247 standard enthalpies of formation, 104 ionization energies, 63 electron affinities, 10 proton affinities, and 22 atomization energies, comprising 446 experimental energies. The mean absolute deviations compared with the experimental data for all thermochemical results presented an accuracy of 1.4 kcal mol{sup −1} for G3(MP2)//B3 and 1.6 kcal mol{sup −1} for G3(MP2)//B3-CEP. Approximately 75% and 70% of the calculated properties are found with accuracy between ±2 kcal mol{sup −1} for G3(MP2)//B3 and G3(MP2)//B3-CEP, respectively. Considering a confidence interval of 95%, the results may oscillate between ±4.2 kcal mol{sup −1} and ±4.6 kcal mol{sup −1}, respectively. The overall statistical behavior indicates that the calculations using pseudopotential present similar behavior with the all-electron theory. Of equal importance to the accuracy is the CPU time, which was reduced by between 10% and 40%.

  16. Nonadiabatic couplings from the Kohn-Sham derivative matrix: Formulation by time-dependent density-functional theory and evaluation in the pseudopotential framework

    NASA Astrophysics Data System (ADS)

    Hu, Chunping; Sugino, Osamu; Hirai, Hirotoshi; Tateyama, Yoshitaka

    2010-12-01

    We study the time-dependent density-functional theory formulation of nonadiabatic couplings (NAC’s) to settle problems regarding practical calculations. NAC’s have so far been rigorously formulated on the basis of the density response scheme and expressed using the nuclear derivative of the Hamiltonian, ∂H/∂R, whereby causing the pseudopotential problem. When rewritten using the nuclear derivative operator, ∂/∂R, or the d operator, the formula is found free of the problem and thus provides a working numerical scheme. The d-operator-based formulation also allows us to lay a foundation on the empirical Slater transition-state method and to show an improved way of using the auxiliary excited-state wave-function ansatz, both of which have been utilized in previous works. Evaluation of NAC near either the Jahn-Teller or the Renner-Teller intersection in various molecular systems shows that the values of NAC are much improved over previous calculations when the d-operator formula is implemented in the pseudopotential framework.

  17. Local and nonlocal parallel heat transport in general magnetic fields

    SciTech Connect

    Del-Castillo-Negrete, Diego B; Chacon, Luis

    2011-01-01

    A novel approach for the study of parallel transport in magnetized plasmas is presented. The method avoids numerical pollution issues of grid-based formulations and applies to integrable and chaotic magnetic fields with local or nonlocal parallel closures. In weakly chaotic fields, the method gives the fractal structure of the devil's staircase radial temperature profile. In fully chaotic fields, the temperature exhibits self-similar spatiotemporal evolution with a stretched-exponential scaling function for local closures and an algebraically decaying one for nonlocal closures. It is shown that, for both closures, the effective radial heat transport is incompatible with the quasilinear diffusion model.

  18. Quantum nonlocal effects on optical properties of spherical nanoparticles

    SciTech Connect

    Moradi, Afshin

    2015-02-15

    To study the scattering of electromagnetic radiation by a spherical metallic nanoparticle with quantum spatial dispersion, we develop the standard nonlocal Mie theory by allowing for the excitation of the quantum longitudinal plasmon modes. To describe the quantum nonlocal effects, we use the quantum longitudinal dielectric function of the system. As in the standard Mie theory, the electromagnetic fields are expanded in terms of spherical vector wavefunctions. Then, the usual Maxwell boundary conditions are imposed plus the appropriate additional boundary conditions. Examples of calculated extinction spectra are presented, and it is found that the frequencies of the subsidiary peaks, due to quantum bulk plasmon excitations exhibit strong dependence on the quantum spatial dispersion.

  19. Hermite-Gaussian Vector soliton in strong nonlocal media

    NASA Astrophysics Data System (ADS)

    Wang, Qing; Li, JingZhen

    2014-12-01

    The propagation of two mutually incoherent Hermite-Gaussian (HG) beams in strong nonlocal media was studied. We obtained the evolution equations for the parameters of the two beams and found the condition of forming a HG Vector soliton by variational approach. The numerical result, which accords with the analytical solution very well, shows that a series of vector solitons which consisted of different-order HG beam pairs can be formed in strong nonlocal media. In addition, we found that the phase shifts are not only related to the total incident power, but also related to the orders of the two HG beams.

  20. Genuine multipartite nonlocality of permutationally invariant Gaussian states

    NASA Astrophysics Data System (ADS)

    Xu, Buqing; Tufarelli, Tommaso; Adesso, Gerardo

    2017-01-01

    We investigate genuine multipartite nonlocality of pure permutationally invariant multimode Gaussian states of continuous variable systems, as detected by the violation of Svetlichny inequality. We identify the phase space settings leading to the largest violation of the inequality when using displaced parity measurements, distinguishing our results between the cases of even and odd total number of modes. We further consider pseudospin measurements and show that, for three-mode states with asymptotically large squeezing degree, particular settings of these measurements allow one to approach the maximum violation of Svetlichny inequality allowed by quantum mechanics. This indicates that the strongest manifestation of genuine multipartite quantum nonlocality is in principle verifiable on Gaussian states.

  1. Nonlocal effect on vortex-induced pattern dynamics.

    PubMed

    Caullet, V; Marsal, N; Wolfersberger, D; Sciamanna, M

    2013-06-01

    We show experimentally and theoretically that the interplay between a vortex-induced pattern rotation and an optical feedback nonlocality-induced pattern drift leads to new dynamics and geometries of optical pattern formation. First, the vortex-induced pattern rotation and the nonlocality-induced drift can annihilate each other, resulting in the formation of static zones in the near field of the otherwise drifting pattern. Second, increasing the external mirror tilt leads to new pattern solutions that are composed of wave vectors of different amplitudes and directions, resulting in a multistriped pattern geometry.

  2. Nonlocal and nonlinear electrostatics of a dipolar Coulomb fluid.

    PubMed

    Sahin, Buyukdagli; Ralf, Blossey

    2014-07-16

    We study a model Coulomb fluid consisting of dipolar solvent molecules of finite extent which generalizes the point-like dipolar Poisson-Boltzmann model (DPB) previously introduced by Coalson and Duncan (1996 J. Phys. Chem. 100 2612) and Abrashkin et al (2007 Phys. Rev. Lett. 99 077801). We formulate a nonlocal Poisson-Boltzmann equation (NLPB) and study both linear and nonlinear dielectric response in this model for the case of a single plane geometry. Our results shed light on the relevance of nonlocal versus nonlinear effects in continuum models of material electrostatics.

  3. Dynamical nonlocal coherent-potential approximation for itinerant electron magnetism.

    PubMed

    Rowlands, D A; Zhang, Yu-Zhong

    2014-11-26

    A dynamical generalisation of the nonlocal coherent-potential approximation is derived based upon the functional integral approach to the interacting electron problem. The free energy is proven to be variational with respect to the self-energy provided a self-consistency condition on a cluster of sites is satisfied. In the present work, calculations are performed within the static approximation and the effect of the nonlocal physics on the formation of the local moment state in a simple model is investigated. The results reveal the importance of the dynamical correlations.

  4. Nonlocal Poisson-Fermi model for ionic solvent.

    PubMed

    Xie, Dexuan; Liu, Jinn-Liang; Eisenberg, Bob

    2016-07-01

    We propose a nonlocal Poisson-Fermi model for ionic solvent that includes ion size effects and polarization correlations among water molecules in the calculation of electrostatic potential. It includes the previous Poisson-Fermi models as special cases, and its solution is the convolution of a solution of the corresponding nonlocal Poisson dielectric model with a Yukawa-like kernel function. The Fermi distribution is shown to be a set of optimal ionic concentration functions in the sense of minimizing an electrostatic potential free energy. Numerical results are reported to show the difference between a Poisson-Fermi solution and a corresponding Poisson solution.

  5. Faithful test of nonlocal realism with entangled coherent states

    SciTech Connect

    Lee, Chang-Woo; Jeong, Hyunseok; Paternostro, Mauro

    2011-02-15

    We investigate the violation of Leggett's inequality for nonlocal realism using entangled coherent states and various types of local measurements. We prove mathematically the relation between the violation of the Clauser-Horne-Shimony-Holt form of Bell's inequality and Leggett's one when tested by the same resources. For Leggett inequalities, we generalize the nonlocal realistic bound to systems in Hilbert spaces larger than bidimensional ones and introduce an optimization technique that allows one to achieve larger degrees of violation by adjusting the local measurement settings. Our work describes the steps that should be performed to produce a self-consistent generalization of Leggett's original arguments to continuous-variable states.

  6. Nonlocal Elasticity near Jamming in Frictionless Soft Spheres

    NASA Astrophysics Data System (ADS)

    Baumgarten, Karsten; Vâgberg, Daniel; Tighe, Brian P.

    2017-03-01

    We use simulations of frictionless soft sphere packings to identify novel constitutive relations for linear elasticity near the jamming transition. By forcing packings at varying wavelengths, we directly access their transverse and longitudinal compliances. These are found to be wavelength dependent, in violation of conventional (local) linear elasticity. Crossovers in the compliances select characteristic length scales, which signify the appearance of nonlocal effects. Two of these length scales diverge as the pressure vanishes, indicating that critical effects near jamming control the breakdown of local elasticity. We expect these nonlocal constitutive relations to be applicable to a wide range of weakly jammed solids, including emulsions, foams, and granulates.

  7. Electrodynamics of memory-dependent nonlocal elastic continua

    NASA Astrophysics Data System (ADS)

    Eringen, A. Cemal

    1984-11-01

    Balance laws and constitutive equations are given for elastic continua with memory of past motions and electromagnetic fields. Nonlinear, finite-linear, and linear constitutive equations are obtained and restricted by the second law of thermodynamics. Memory-dependent nonlocal piezoelectricity, piezomagnetism, heat and electric conduction, viscoelasticity, and other allied physical phenomena are in the domain of the general theory. The theory is applied to discuss infrared dispersion and lattice vibrations, natural optical activity, anomalous skin effect, and superconductivity, indicating the power and the potential of the nonlocal theory.

  8. A radial basis function Galerkin method for inhomogeneous nonlocal diffusion

    DOE PAGES

    Lehoucq, Richard B.; Rowe, Stephen T.

    2016-02-01

    We introduce a discretization for a nonlocal diffusion problem using a localized basis of radial basis functions. The stiffness matrix entries are assembled by a special quadrature routine unique to the localized basis. Combining the quadrature method with the localized basis produces a well-conditioned, sparse, symmetric positive definite stiffness matrix. We demonstrate that both the continuum and discrete problems are well-posed and present numerical results for the convergence behavior of the radial basis function method. As a result, we explore approximating the solution to anisotropic differential equations by solving anisotropic nonlocal integral equations using the radial basis function method.

  9. Strong Local-Nonlocal Coupling for Integrated Fracture Modeling

    SciTech Connect

    Littlewood, David John; Silling, Stewart A.; Mitchell, John A.; Seleson, Pablo D.; Bond, Stephen D.; Parks, Michael L.; Turner, Daniel Z.; Burnett, Damon J.; Ostien, Jakob; Gunzburger, Max

    2015-09-01

    Peridynamics, a nonlocal extension of continuum mechanics, is unique in its ability to capture pervasive material failure. Its use in the majority of system-level analyses carried out at Sandia, however, is severely limited, due in large part to computational expense and the challenge posed by the imposition of nonlocal boundary conditions. Combined analyses in which peridynamics is em- ployed only in regions susceptible to material failure are therefore highly desirable, yet available coupling strategies have remained severely limited. This report is a summary of the Laboratory Directed Research and Development (LDRD) project "Strong Local-Nonlocal Coupling for Inte- grated Fracture Modeling," completed within the Computing and Information Sciences (CIS) In- vestment Area at Sandia National Laboratories. A number of challenges inherent to coupling local and nonlocal models are addressed. A primary result is the extension of peridynamics to facilitate a variable nonlocal length scale. This approach, termed the peridynamic partial stress, can greatly reduce the mathematical incompatibility between local and nonlocal equations through reduction of the peridynamic horizon in the vicinity of a model interface. A second result is the formulation of a blending-based coupling approach that may be applied either as the primary coupling strategy, or in combination with the peridynamic partial stress. This blending-based approach is distinct from general blending methods, such as the Arlequin approach, in that it is specific to the coupling of peridynamics and classical continuum mechanics. Facilitating the coupling of peridynamics and classical continuum mechanics has also required innovations aimed directly at peridynamic models. Specifically, the properties of peridynamic constitutive models near domain boundaries and shortcomings in available discretization strategies have been addressed. The results are a class of position-aware peridynamic constitutive laws for

  10. Nonlocal Poisson-Fermi model for ionic solvent

    NASA Astrophysics Data System (ADS)

    Xie, Dexuan; Liu, Jinn-Liang; Eisenberg, Bob

    2016-07-01

    We propose a nonlocal Poisson-Fermi model for ionic solvent that includes ion size effects and polarization correlations among water molecules in the calculation of electrostatic potential. It includes the previous Poisson-Fermi models as special cases, and its solution is the convolution of a solution of the corresponding nonlocal Poisson dielectric model with a Yukawa-like kernel function. The Fermi distribution is shown to be a set of optimal ionic concentration functions in the sense of minimizing an electrostatic potential free energy. Numerical results are reported to show the difference between a Poisson-Fermi solution and a corresponding Poisson solution.

  11. To the non-local theory of cold nuclear fusion.

    PubMed

    Alexeev, Boris V

    2014-10-01

    In this paper, we revisit the cold fusion (CF) phenomenon using the generalized Bolzmann kinetics theory which can represent the non-local physics of this CF phenomenon. This approach can identify the conditions when the CF can take place as the soliton creation under the influence of the intensive sound waves. The vast mathematical modelling leads to affirmation that all parts of soliton move with the same velocity and with the small internal change of the pressure. The zone of the high density is shaped on the soliton's front. It means that the regime of the 'acoustic CF' could be realized from the position of the non-local hydrodynamics.

  12. On a 1D nonlocal transport equation with nonlocal velocity and subcritical or supercritical diffusion

    NASA Astrophysics Data System (ADS)

    Lazar, Omar

    2016-11-01

    We study a 1D transport equation with nonlocal velocity with subcritical or supercritical dissipation. For all data in the weighted Sobolev space Hk (wλ,κ) ∩L∞, where k = max ⁡ (0 , 3 / 2 - α) and wλ,κ is a given family of Muckenhoupt weights, we prove a global existence result in the subcritical case α ∈ (1 , 2). We also prove a local existence theorem for large data in H2 (wλ,κ) ∩L∞ in the supercritical case α ∈ (0 , 1). The proofs are based on the use of the weighted Littlewood-Paley theory, interpolation along with some new commutator estimates.

  13. A higher-order nonlocal elasticity and strain gradient theory and its applications in wave propagation

    NASA Astrophysics Data System (ADS)

    Lim, C. W.; Zhang, G.; Reddy, J. N.

    2015-05-01

    In recent years there have been many papers that considered the effects of material length scales in the study of mechanics of solids at micro- and/or nano-scales. There are a number of approaches and, among them, one set of papers deals with Eringen's differential nonlocal model and another deals with the strain gradient theories. The modified couple stress theory, which also accounts for a material length scale, is a form of a strain gradient theory. The large body of literature that has come into existence in the last several years has created significant confusion among researchers about the length scales that these various theories contain. The present paper has the objective of establishing the fact that the length scales present in nonlocal elasticity and strain gradient theory describe two entirely different physical characteristics of materials and structures at nanoscale. By using two principle kernel functions, the paper further presents a theory with application examples which relates the classical nonlocal elasticity and strain gradient theory and it results in a higher-order nonlocal strain gradient theory. In this theory, a higher-order nonlocal strain gradient elasticity system which considers higher-order stress gradients and strain gradient nonlocality is proposed. It is based on the nonlocal effects of the strain field and first gradient strain field. This theory intends to generalize the classical nonlocal elasticity theory by introducing a higher-order strain tensor with nonlocality into the stored energy function. The theory is distinctive because the classical nonlocal stress theory does not include nonlocality of higher-order stresses while the common strain gradient theory only considers local higher-order strain gradients without nonlocal effects in a global sense. By establishing the constitutive relation within the thermodynamic framework, the governing equations of equilibrium and all boundary conditions are derived via the variational

  14. Frustrated quantum phase diffusion and increased coherence of solitons due to nonlocality

    SciTech Connect

    Batz, Sascha; Peschel, Ulf

    2011-03-15

    We investigate the quantum properties of solitons with nonlocal self-interaction. We find significant changes when compared to the local interaction. Quantum phase diffusion of nonlocal solitons is always reduced with respect to the local interaction and vanishes in the strongly nonlocal limit. Thus, coherence is increased in the nonlocal case. Furthermore, we compare the intrinsic quantum wave packet spreading to the recently discussed classical Gordon-Haus effect for nonlocal solitons [V. Folli and C. Conti, Phys. Rev. Lett. 104, 193901 (2010)].

  15. Two flavor superconductivity in non-local models

    SciTech Connect

    Duhau, R.; Grunfeld, A.G.; Scoccola, N.N.

    2004-12-02

    In the present work we study a relativistic quark model at finite temperature and density with non-local quark-antiquark and quark-quark interactions with SU(2) flavour and SU(3) color symmetries. After proper bosonization, we analyze the structure of the corresponding phase diagram and discuss the competition between the chiral and 2SC phases.

  16. Nonlocal correlations: Fair and unfair strategies in Bayesian games

    NASA Astrophysics Data System (ADS)

    Roy, Arup; Mukherjee, Amit; Guha, Tamal; Ghosh, Sibasish; Bhattacharya, Some Sankar; Banik, Manik

    2016-09-01

    An interesting connection has been established between two apparently unrelated concepts, namely, quantum nonlocality and Bayesian game theory. It has been shown that nonlocal correlations in the form of advice can outperform classical equilibrium strategies in common-interest Bayesian games and also in conflicting-interest Bayesian games. Classical equilibrium strategies can be of two types, fair and unfair. Whereas in fair equilibrium payoffs of different players are equal, in the unfair case they differ. An advantage of nonlocal correlation has been demonstrated over fair strategies only. We show that quantum strategies can outperform even the unfair classical equilibrium strategies. For this purpose we consider a class of two-player Bayesian games. It becomes that such games can have only fair equilibria, both fair and unfair equilibria, or only unfair ones. We provide a simple analytic method to characterize the nonlocal correlations that are advantageous over the classical equilibrium strategies in these games. We also show that quantum advice provides a better social optimality solution (a relevant notion of equilibrium for the unfair case) over the classical one.

  17. Circuit theory for crossed Andreev reflection and nonlocal conductance

    NASA Astrophysics Data System (ADS)

    Morten, J. P.; Brataas, A.; Belzig, W.

    2007-11-01

    Nonlocal currents, in devices where two normal-metal terminals are contacted to a superconductor, are determined using the circuit theory of mesoscopic superconductivity. We calculate the conductance associated with crossed Andreev reflection and electron transfer between the two normal-metal terminals, in addition to the conductance from direct Andreev reflection and quasiparticle tunneling. Dephasing and proximity effect are taken into account.

  18. Nonlocal elasticity tensors in dislocation and disclination cores

    NASA Astrophysics Data System (ADS)

    Taupin, V.; Gbemou, K.; Fressengeas, C.; Capolungo, L.

    2017-03-01

    Nonlocal elastic constitutive laws are introduced for crystals containing defects such as dislocations and disclinations. In addition to pointwise elastic moduli tensors adequately reflecting the elastic response of defect-free regions by relating stresses to strains and couple-stresses to curvatures, elastic cross-moduli tensors relating strains to couple-stresses and curvatures to stresses within convolution integrals are derived from a nonlocal analysis of strains and curvatures in the defects cores. Sufficient conditions are derived for positive-definiteness of the resulting free energy, and stability of elastic solutions is ensured. The elastic stress/couple stress fields associated with prescribed dislocation/disclination density distributions and solving the momentum and moment of momentum balance equations in periodic media are determined by using a Fast Fourier Transform spectral method. The convoluted cross-moduli bring the following results: (i) Nonlocal stresses and couple stresses oppose their local counterparts in the defects core regions, playing the role of restoring forces and possibly ensuring spatio-temporal stability of the simulated defects, (ii) The couple stress fields are strongly affected by nonlocality. Such effects favor the stability of the simulated grain boundaries and allow investigating their elastic interactions with extrinsic defects, (iii) Driving forces inducing grain growth or refinement derive from the self-stress and couple stress fields of grain boundaries in nanocrystalline configurations.

  19. Incorporating anatomical side information into PET reconstruction using nonlocal regularization.

    PubMed

    Nguyen, Van-Giang; Lee, Soo-Jin

    2013-10-01

    With the introduction of combined positron emission tomography (PET)/computed tomography (CT) or PET/magnetic resonance imaging (MRI) scanners, there is an increasing emphasis on reconstructing PET images with the aid of the anatomical side information obtained from X-ray CT or MRI scanners. In this paper, we propose a new approach to incorporating prior anatomical information into PET reconstruction using the nonlocal regularization method. The nonlocal regularizer developed for this application is designed to selectively consider the anatomical information only when it is reliable. As our proposed nonlocal regularization method does not directly use anatomical edges or boundaries which are often used in conventional methods, it is not only free from additional processes to extract anatomical boundaries or segmented regions, but also more robust to the signal mismatch problem that is caused by the indirect relationship between the PET image and the anatomical image. We perform simulations with digital phantoms. According to our experimental results, compared to the conventional method based on the traditional local regularization method, our nonlocal regularization method performs well even with the imperfect prior anatomical information or in the presence of signal mismatch between the PET image and the anatomical image.

  20. Coherent control of plasmons in nanoparticles with nonlocal response

    NASA Astrophysics Data System (ADS)

    McArthur, D.; Hourahine, B.; Papoff, F.

    2017-01-01

    We discuss a scheme for the coherent control of light and plasmons in nanoparticles that have nonlocal dielectric permittivity and contain nonlinear impurities or color centers. We consider particles which have a response to light that is strongly influenced by plasmons over a broad range of frequencies. Our coherent control method enables the reduction of absorption and/or suppression of scattering.