Comparison of variational real-space representations of the kinetic energy operator

NASA Astrophysics Data System (ADS)

Skylaris, Chris-Kriton; Diéguez, Oswaldo; Haynes, Peter D.; Payne, Mike C.

2002-08-01

We present a comparison of real-space methods based on regular grids for electronic structure calculations that are designed to have basis set variational properties, using as a reference the conventional method of finite differences (a real-space method that is not variational) and the reciprocal-space plane-wave method which is fully variational. We find that a definition of the finite-difference method [P. Maragakis, J. Soler, and E. Kaxiras, Phys. Rev. B 64, 193101 (2001)] satisfies one of the two properties of variational behavior at the cost of larger errors than the conventional finite-difference method. On the other hand, a technique which represents functions in a number of plane waves which is independent of system size closely follows the plane-wave method and therefore also the criteria for variational behavior. Its application is only limited by the requirement of having functions strictly localized in regions of real space, but this is a characteristic of an increasing number of modern real-space methods, as they are designed to have a computational cost that scales linearly with system size.

Waves in a plane graphene - dielectric waveguide structure

NASA Astrophysics Data System (ADS)

Evseev, Dmitry A.; Eliseeva, Svetlana V.; Sementsov, Dmitry I.

2017-10-01

The features of the guided TE modes propagation have been investigated on the basis of computer simulations in a planar structure consisting of a set of alternating layers of dielectric and graphene. Within the framework of the effective medium approximation, the dispersion relations have been received for symmetric and antisymmetric waveguide modes, determined by the frequency range of their existence. The wave field distribution by structure, frequency dependences of the constants of propagation and transverse components of the wave vectors, as well as group and phase velocities of waveguide modes have been obtained, the effect of the graphene part in a structure on the waveguide mode behavior has been shown.

Full-dimensional quantum dynamics study on the mode-specific unimolecular dissociation reaction of HFCO

NASA Astrophysics Data System (ADS)

Yamamoto, Takeshi; Kato, Shigeki

2000-05-01

The mode specificity of the unimolecular reaction of HFCO is studied by six-dimensional quantum dynamics calculations. The energy and mode dependency of the dissociation rate is examined by propagating a number of wave packets with a small energy dispersion representing highly excited states with respect to a specific vibrational mode. The wave packets are generated by applying a set of filter operators onto a source vibrational state. All the information necessary for propagating the wave packets is obtained from a single propagation of the source state, thus allowing a significant decrease of computational effort. The relevant spectral peaks are assigned using the three-dimensional CH chromophore Hamiltonian. The resulting dissociation rate of the CH stretching excited state is in agreement with that obtained from a statistical theory, while the rates of the out-of-plane bending excited states are about one order of magnitude smaller than the statistical rates. A local-mode analysis also shows that the relaxation of the out-of-plane excitation proceeds very slowly within 3 ps. These results clearly indicate weak couplings of the out-of-plane bending excited states with other in-plane vibrational states, which is in qualitative agreement with experimental findings. From a computational point of view, a parallel supercomputer is utilized efficiently to handle an ultra large basis set of an order of 108, and 200 Gflops rate on average is achieved in the dynamics calculations.

First-principles investigation on Rydberg and resonance excitations: A case study of the firefly luciferin anion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Noguchi, Yoshifumi, E-mail: y.noguchi@issp.u-tokyo.ac.jp; Hiyama, Miyabi; Akiyama, Hidefumi

2014-07-28

The optical properties of an isolated firefly luciferin anion are investigated by using first-principles calculations, employing the many-body perturbation theory to take into account the excitonic effect. The calculated photoabsorption spectra are compared with the results obtained using the time-dependent density functional theory (TDDFT) employing the localized atomic orbital (AO) basis sets and a recent experiment in vacuum. The present method well reproduces the line shape at the photon energy corresponding to the Rydberg and resonance excitations but overestimates the peak positions by about 0.5 eV. However, the TDDFT-calculated positions of some peaks are closer to those of the experiment.more » We also investigate the basis set dependency in describing the free electron states above vacuum level and the excitons involving the transitions to the free electron states and conclude that AO-only basis sets are inaccurate for free electron states and the use of a plane wave basis set is required.« less

Applying Molecular Bonding Concepts to the Solid State

NASA Astrophysics Data System (ADS)

Dunnington, Benjamin D.

In this thesis, we describe the extension and application of Natural Bond Orbital (NBO) analysis to periodic systems. This enables the translation of rigorous, quantum mechanical calculation results of solid systems into the localized lone pairs and two-center bonds of Lewis structures. Such localized bonding descriptions form the basic language of chemistry, and application of these ideas to solids allows for the understanding of complex phenomena in bulk systems using readily accessible concepts from molecular science. In addition to the algorithmic adjustments needed for to account for periodic boundary conditions in the NBO process, we also discuss methodology to interface the ubiquitous plane wave basis sets of the solid state with the atom-centered basis functions needed as input for NBO analysis. We will describe one method using projection of the plane wave eigenstates, and a second projection-free method that involves the direct calculation of matrix elements of the plane wave Hamiltonian in an atom-centered basis. The reliance of many localized, post-computational analysis techniques on an atom-centered description of the orbitals, means these interfaces will have applicability beyond our NBO development. An ideal area for application of such molecular descriptions of periodic systems is heterogeneous catalysis, where reactants from a gas/liquid phase react on a solid catalyst surface. Previous studies of these systems have originated from the delocalized perspective of the bulk catalyst. NBO provides an explicit description of the perturbative effect of the catalyst on the covalent bonds of the reactant, which is correlated with the catalytic activity of the material. Such a shift to an adsorbate focused description of surface reactivity will enable understanding of catalysis across a variety of materials.

Kubo-Greenwood electrical conductivity formulation and implementation for projector augmented wave datasets

NASA Astrophysics Data System (ADS)

Calderín, L.; Karasiev, V. V.; Trickey, S. B.

2017-12-01

As the foundation for a new computational implementation, we survey the calculation of the complex electrical conductivity tensor based on the Kubo-Greenwood (KG) formalism (Kubo, 1957; Greenwood, 1958), with emphasis on derivations and technical aspects pertinent to use of projector augmented wave datasets with plane wave basis sets (Blöchl, 1994). New analytical results and a full implementation of the KG approach in an open-source Fortran 90 post-processing code for use with Quantum Espresso (Giannozzi et al., 2009) are presented. Named KGEC ([K]ubo [G]reenwood [E]lectronic [C]onductivity), the code calculates the full complex conductivity tensor (not just the average trace). It supports use of either the original KG formula or the popular one approximated in terms of a Dirac delta function. It provides both Gaussian and Lorentzian representations of the Dirac delta function (though the Lorentzian is preferable on basic grounds). KGEC provides decomposition of the conductivity into intra- and inter-band contributions as well as degenerate state contributions. It calculates the dc conductivity tensor directly. It is MPI parallelized over k-points, bands, and plane waves, with an option to recover the plane wave processes for their use in band parallelization as well. It is designed to provide rapid convergence with respect to k-point density. Examples of its use are given.

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.

Optimized norm-conserving Hartree-Fock pseudopotentials for plane-wave calculations

NASA Astrophysics Data System (ADS)

Al-Saidi, W. A.; Walter, E. J.; Rappe, A. M.

2008-02-01

We report Hartree-Fock (HF)-based pseudopotentials suitable for plane-wave calculations. Unlike typical effective core potentials, the present pseudopotentials are finite at the origin and exhibit rapid convergence in a plane-wave basis; the optimized pseudopotential method [A. M. Rappe , Phys. Rev. B 41, 1227 (1990)] improves plane-wave convergence. Norm-conserving HF pseudopotentials are found to develop long-range non-Coulombic behavior which does not decay faster than 1/r , and is nonlocal. This behavior, which stems from the nonlocality of the exchange potential, is remedied using a recently developed self-consistent procedure [J. R. Trail and R. J. Needs, J. Chem. Phys. 122, 014112 (2005)]. The resulting pseudopotentials slightly violate the norm conservation of the core charge. We calculated several atomic properties using these pseudopotentials, and the results are in good agreement with all-electron HF values. The dissociation energies, equilibrium bond lengths, and frequencies of vibration of several dimers obtained with these HF pseudopotentials and plane waves are also in good agreement with all-electron results.

High-Resolution Large-Field-of-View Ultrasound Breast Imager

DTIC Science & Technology

2012-06-01

plane waves all having the same wave vector magnitude 0k but propagating in different directions . This observation forms the mathematical basis of the...origin of the object Fourier space and is oriented opposite the propagation direction of the probing plane wave field. Moreover, the 43 radius of...in water. Each element was electrically tuned to match to the 50-Ohm impedance of an RF Amplifier powered by a 4.0 MHz electrical signal from a

Inelastic scattering with Chebyshev polynomials and preconditioned conjugate gradient minimization.

PubMed

Temel, Burcin; Mills, Greg; Metiu, Horia

2008-03-27

We describe and test an implementation, using a basis set of Chebyshev polynomials, of a variational method for solving scattering problems in quantum mechanics. This minimum error method (MEM) determines the wave function Psi by minimizing the least-squares error in the function (H Psi - E Psi), where E is the desired scattering energy. We compare the MEM to an alternative, the Kohn variational principle (KVP), by solving the Secrest-Johnson model of two-dimensional inelastic scattering, which has been studied previously using the KVP and for which other numerical solutions are available. We use a conjugate gradient (CG) method to minimize the error, and by preconditioning the CG search, we are able to greatly reduce the number of iterations necessary; the method is thus faster and more stable than a matrix inversion, as is required in the KVP. Also, we avoid errors due to scattering off of the boundaries, which presents substantial problems for other methods, by matching the wave function in the interaction region to the correct asymptotic states at the specified energy; the use of Chebyshev polynomials allows this boundary condition to be implemented accurately. The use of Chebyshev polynomials allows for a rapid and accurate evaluation of the kinetic energy. This basis set is as efficient as plane waves but does not impose an artificial periodicity on the system. There are problems in surface science and molecular electronics which cannot be solved if periodicity is imposed, and the Chebyshev basis set is a good alternative in such situations.

Quantum Dynamics with Short-Time Trajectories and Minimal Adaptive Basis Sets.

PubMed

Saller, Maximilian A C; Habershon, Scott

2017-07-11

Methods for solving the time-dependent Schrödinger equation via basis set expansion of the wave function can generally be categorized as having either static (time-independent) or dynamic (time-dependent) basis functions. We have recently introduced an alternative simulation approach which represents a middle road between these two extremes, employing dynamic (classical-like) trajectories to create a static basis set of Gaussian wavepackets in regions of phase-space relevant to future propagation of the wave function [J. Chem. Theory Comput., 11, 8 (2015)]. Here, we propose and test a modification of our methodology which aims to reduce the size of basis sets generated in our original scheme. In particular, we employ short-time classical trajectories to continuously generate new basis functions for short-time quantum propagation of the wave function; to avoid the continued growth of the basis set describing the time-dependent wave function, we employ Matching Pursuit to periodically minimize the number of basis functions required to accurately describe the wave function. Overall, this approach generates a basis set which is adapted to evolution of the wave function while also being as small as possible. In applications to challenging benchmark problems, namely a 4-dimensional model of photoexcited pyrazine and three different double-well tunnelling problems, we find that our new scheme enables accurate wave function propagation with basis sets which are around an order-of-magnitude smaller than our original trajectory-guided basis set methodology, highlighting the benefits of adaptive strategies for wave function propagation.

Near ground measure and theoretical model of plane wave covariance of intensity in anisotropic turbulence.

PubMed

Beason, Melissa; Smith, Christopher; Coffaro, Joseph; Belichki, Sara; Spychalsky, Jonathon; Titus, Franklin; Crabbs, Robert; Andrews, Larry; Phillips, Ronald

2018-06-01

Experimental measurements were recently made which displayed characteristics of plane wave propagation through anisotropic optical turbulence. A near-plane wave beam was propagated a distance of 1 and 2 km at a height of 2 m above the concrete runway at the Shuttle Landing Facility, Kennedy Space Center, Florida, during January and February of 2017. The spatial-temporal fluctuations of the beam were recorded, and the covariance of intensity was calculated. These data sets were compared to a theoretical calculation of covariance of intensity for a plane wave.

Reflection coefficient of qP, qS and SH at a plane boundary between viscoelastic TTI media

NASA Astrophysics Data System (ADS)

Wang, Hongwei; Peng, Suping

2016-01-01

This paper introduces a calculation method for the effective elastic stiffness tensor matrix of the viscous-elastic TTI medium based on the Chapman theory. We then obtain the phase velocity formula and seismic wave polarization formula of the viscous-elastic TTI medium, by solving the Christoffel equation; solve the phase angle of reflection and transmission wave through the numerical method in accordance with the wave slowness ellipsoid; on the basis of this assumption, and assuming that qP, qS and SH waves occurred simultaneously at the viscous-elastic anisotropic interface, establish the sixth-order Zoeppritz equation in accordance with the boundary conditions; establish the models for the upper and lower media which are viscous-elastic HTI, TTI, etc., on the basis of the sixth-order Zoeppritz equation; and study the impact of fracture dip angle, azimuth angle and frequency on the reflection coefficient. From this we obtain the following conclusions: the reflection coefficient can identify the fracture strike and dip when any information pertaining to the media is unknown; dispersion phenomenon is obvious on the axial plane of symmetry and weakened in the plane vertical to the axial plane of symmetry; the vertical-incidence longitudinal wave can stimulate the qS wave when the dip angle is not 0° or 90° under the condition of coincidence between the symmetry planes of the upper and lower media; when the symmetry planes of the upper and lower media do not coincide and the dip angle is not 0° or 90°, then the vertical-incidence qP will stimulate the qS and SH waves at the same time; the dip angle can cause the reflection coefficient curve to have a more obvious dispersion phenomenon, while the included angle between the symmetry planes of the upper and lower media will weaken the dispersion except SH; and the intercept of reflection coefficient is affected by the fracture dip and included angle between the symmetry planes of the upper and lower media.

GW/Bethe-Salpeter calculations for charged and model systems from real-space DFT

NASA Astrophysics Data System (ADS)

Strubbe, David A.

GW and Bethe-Salpeter (GW/BSE) calculations use mean-field input from density-functional theory (DFT) calculations to compute excited states of a condensed-matter system. Many parts of a GW/BSE calculation are efficiently performed in a plane-wave basis, and extensive effort has gone into optimizing and parallelizing plane-wave GW/BSE codes for large-scale computations. Most straightforwardly, plane-wave DFT can be used as a starting point, but real-space DFT is also an attractive starting point: it is systematically convergeable like plane waves, can take advantage of efficient domain parallelization for large systems, and is well suited physically for finite and especially charged systems. The flexibility of a real-space grid also allows convenient calculations on non-atomic model systems. I will discuss the interfacing of a real-space (TD)DFT code (Octopus, www.tddft.org/programs/octopus) with a plane-wave GW/BSE code (BerkeleyGW, www.berkeleygw.org), consider performance issues and accuracy, and present some applications to simple and paradigmatic systems that illuminate fundamental properties of these approximations in many-body perturbation theory.

Noise Equalization for Ultrafast Plane Wave Microvessel Imaging.

PubMed

Song, Pengfei; Manduca, Armando; Trzasko, Joshua D; Chen, Shigao

2017-11-01

Ultrafast plane wave microvessel imaging significantly improves ultrasound Doppler sensitivity by increasing the number of Doppler ensembles that can be collected within a short period of time. The rich spatiotemporal plane wave data also enable more robust clutter filtering based on singular value decomposition. However, due to the lack of transmit focusing, plane wave microvessel imaging is very susceptible to noise. This paper was designed to: 1) study the relationship between ultrasound system noise (primarily time gain compensation induced) and microvessel blood flow signal and 2) propose an adaptive and computationally cost-effective noise equalization method that is independent of hardware or software imaging settings to improve microvessel image quality.

Coherent Waves in Seismic Researches

NASA Astrophysics Data System (ADS)

Emanov, A.; Seleznev, V. S.

2013-05-01

Development of digital processing algorithms of seismic wave fields for the purpose of useful event picking to study environment and other objects is the basis for the establishment of new seismic techniques. In the submitted paper a fundamental property of seismic wave field coherence is used. The authors extended conception of coherence types of observed wave fields and devised a technique of coherent component selection from observed wave field. Time coherence and space coherence are widely known. In this paper conception "parameter coherence" has been added. The parameter by which wave field is coherent can be the most manifold. The reason is that the wave field is a multivariate process described by a set of parameters. Coherence in the first place means independence of linear connection in wave field of parameter. In seismic wave fields, recorded in confined space, in building-blocks and stratified mediums time coherent standing waves are formed. In prospecting seismology at observation systems with multiple overlapping head waves are coherent by parallel correlation course or, in other words, by one measurement on generalized plane of observation system. For detail prospecting seismology at observation systems with multiple overlapping on basis of coherence property by one measurement of area algorithms have been developed, permitting seismic records to be converted to head wave time sections which have neither reflected nor other types of waves. Conversion in time section is executed on any specified observation base. Energy storage of head waves relative to noise on basis of multiplicity of observation system is realized within area of head wave recording. Conversion on base below the area of wave tracking is performed with lack of signal/noise ratio relative to maximum of this ratio, fit to observation system. Construction of head wave time section and dynamic plots a basis of automatic processing have been developed, similar to CDP procedure in method of reflected waves. With use of developed algorithms of head wave conversion in time sections a work of studying of refracting boundaries in Siberia have been executed. Except for the research by method of refracting waves, the conversion of head waves in time sections, applied to seismograms of reflected wave method, allows to obtain information about refracting horizons in upper part of section in addition to reflecting horizons data. Recovery method of wave field coherent components is the basis of the engineering seismology on the level of accuracy and detail. In seismic microzoning resonance frequency of the upper part of section are determined on the basis of this method. Maps of oscillation amplification and result accuracy are constructed for each of the frequencies. The same method makes it possible to study standing wave field in buildings and constructions with high accuracy and detail, realizing diagnostics of their physical state on set of natural frequencies and form of self-oscillations, examined with high detail. The method of standing waves permits to estimate a seismic stability of structure on new accuracy level.

Size Reduction of Hamiltonian Matrix for Large-Scale Energy Band Calculations Using Plane Wave Bases

NASA Astrophysics Data System (ADS)

Morifuji, Masato

2018-01-01

We present a method of reducing the size of a Hamiltonian matrix used in calculations of electronic states. In the electronic states calculations using plane wave basis functions, a large number of plane waves are often required to obtain precise results. Even using state-of-the-art techniques, the Hamiltonian matrix often becomes very large. The large computational time and memory necessary for diagonalization limit the widespread use of band calculations. We show a procedure of deriving a reduced Hamiltonian constructed using a small number of low-energy bases by renormalizing high-energy bases. We demonstrate numerically that the significant speedup of eigenstates evaluation is achieved without losing accuracy.

Strings on AdS_3 x S^3 and the Plane-Wave Limit. Issues on PP-Wave/CFT Holography

NASA Astrophysics Data System (ADS)

Zapata, Oswaldo

2005-10-01

In this thesis we give explicit results for bosonic string amplitudes on AdS_3 x S^3 and the corresponding plane-wave limit. We also analyze the consequences of our approach for understanding holography in this set up, as well as its possible generalization to other models.

Quantitative molecular orbital energies within a G0W0 approximation

NASA Astrophysics Data System (ADS)

Sharifzadeh, S.; Tamblyn, I.; Doak, P.; Darancet, P. T.; Neaton, J. B.

2012-09-01

Using many-body perturbation theory within a G 0 W 0 approximation, with a plane wave basis set and using a starting point based on density functional theory within the generalized gradient approximation, we explore routes for computing the ionization potential (IP), electron affinity (EA), and fundamental gap of three gas-phase molecules — benzene, thiophene, and (1,4) diamino-benzene — and compare with experiments. We examine the dependence of the IP and fundamental gap on the number of unoccupied states used to represent the dielectric function and the self energy, as well as the dielectric function plane-wave cutoff. We find that with an effective completion strategy for approximating the unoccupied subspace, and a well converged dielectric function kinetic energy cutoff, the computed IPs and EAs are in excellent quantitative agreement with available experiment (within 0.2 eV), indicating that a one-shot G 0 W 0 approach can be very accurate for calculating addition/removal energies of small organic molecules.

Gaussian-windowed frame based method of moments formulation of surface-integral-equation for extended apertures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shlivinski, A., E-mail: amirshli@ee.bgu.ac.il; Lomakin, V., E-mail: vlomakin@eng.ucsd.edu

2016-03-01

Scattering or coupling of electromagnetic beam-field at a surface discontinuity separating two homogeneous or inhomogeneous media with different propagation characteristics is formulated using surface integral equation, which are solved by the Method of Moments with the aid of the Gabor-based Gaussian window frame set of basis and testing functions. The application of the Gaussian window frame provides (i) a mathematically exact and robust tool for spatial-spectral phase-space formulation and analysis of the problem; (ii) a system of linear equations in a transmission-line like form relating mode-like wave objects of one medium with mode-like wave objects of the second medium; (iii)more » furthermore, an appropriate setting of the frame parameters yields mode-like wave objects that blend plane wave properties (as if solving in the spectral domain) with Green's function properties (as if solving in the spatial domain); and (iv) a representation of the scattered field with Gaussian-beam propagators that may be used in many large (in terms of wavelengths) systems.« less

Letters: Noise Equalization for Ultrafast Plane Wave Microvessel Imaging

PubMed Central

Song, Pengfei; Manduca, Armando; Trzasko, Joshua D.

2017-01-01

Ultrafast plane wave microvessel imaging significantly improves ultrasound Doppler sensitivity by increasing the number of Doppler ensembles that can be collected within a short period of time. The rich spatiotemporal plane wave data also enables more robust clutter filtering based on singular value decomposition (SVD). However, due to the lack of transmit focusing, plane wave microvessel imaging is very susceptible to noise. This study was designed to: 1) study the relationship between ultrasound system noise (primarily time gain compensation-induced) and microvessel blood flow signal; 2) propose an adaptive and computationally cost-effective noise equalization method that is independent of hardware or software imaging settings to improve microvessel image quality. PMID:28880169

The leap-frog effect of ring currents in benzene.

PubMed

Ligabue, Andrea; Soncini, Alessandro; Lazzeretti, Paolo

2002-03-06

Symmetry arguments show that the ring-current model proposed by Pauling, Lonsdale, and London to explain the enhanced diamagnetism of benzene is flawed by an intrinsic drawback. The minimal basis set of six atomic 2p orbitals taken into account to develop such a model is inherently insufficient to predict a paramagnetic contribution to the perpendicular component of magnetic susceptibility in planar ring systems such as benzene. Analogous considerations can be made for the hypothetical H(6) cyclic molecule. A model allowing for extended basis sets is necessary to rationalize the magnetism of aromatics. According to high-quality coupled Hartree-Fock calculations, the trajectories of the current density vector field induced by a magnetic field perpendicular to the skeletal plane of benzene in the pi electrons are noticeably different from those typical of a Larmor diamagnetic circulation, in that (i) significant deformation of the orbits from circular to hexagonal symmetry occurs, which is responsible for a paramagnetic contribution of pi electrons to the out-of-plane component of susceptibility, and (ii) a sizable component of the pi current density vector parallel to the inducing field is predicted. This causes a waving motion of pi electrons; streamlines are characterized by a "leap-frog effect".

Improved hybrid algorithm with Gaussian basis sets and plane waves: First-principles calculations of ethylene adsorption on β-SiC(001)-(3×2)

NASA Astrophysics Data System (ADS)

Wieferink, Jürgen; Krüger, Peter; Pollmann, Johannes

2006-11-01

We present an algorithm for DFT calculations employing Gaussian basis sets for the wave function and a Fourier basis for the potential representation. In particular, a numerically very efficient calculation of the local potential matrix elements and the charge density is described. Special emphasis is placed on the consequences of periodicity and explicit k -vector dependence. The algorithm is tested by comparison with more straightforward ones for the case of adsorption of ethylene on the silicon-rich SiC(001)-(3×2) surface clearly revealing its substantial advantages. A complete self-consistency cycle is speeded up by roughly one order of magnitude since the calculation of matrix elements and of the charge density are accelerated by factors of 10 and 80, respectively, as compared to their straightforward calculation. Our results for C2H4:SiC(001)-(3×2) show that ethylene molecules preferentially adsorb in on-top positions above Si dimers on the substrate surface saturating both dimer dangling bonds per unit cell. In addition, a twist of the molecules around a surface-perpendicular axis is slightly favored energetically similar to the case of a complete monolayer of ethylene adsorbed on the Si(001)-(2×1) surface.

Application of ab initio many-body perturbation theory with Gaussian basis sets to the singlet and triplet excitations of organic molecules

NASA Astrophysics Data System (ADS)

Hamed, Samia; Rangel, Tonatiuh; Bruneval, Fabien; Neaton, Jeffrey B.

Quantitative understanding of charged and neutral excitations of organic molecules is critical in diverse areas of study that include astrophysics and the development of energy technologies that are clean and efficient. The recent use of local basis sets with ab initio many-body perturbation theory in the GW approximation and the Bethe-Saltpeter equation approach (BSE), methods traditionally applied to periodic condensed phases with a plane-wave basis, has opened the door to detailed study of such excitations for molecules, as well as accurate numerical benchmarks. Here, through a series of systematic benchmarks with a Gaussian basis, we report on the extent to which the predictive power and utility of this approach depend critically on interdependent underlying approximations and choices for molecules, including the mean-field starting point (eg optimally-tuned range separated hybrids, pure DFT functionals, and untuned hybrids), the GW scheme, and the Tamm Dancoff approximation. We demonstrate the effects of these choices in the context of Thiels' set while drawing analogies to linear-response time-dependent DFT and making comparisons to best theoretical estimates from higher-order wavefunction-based theories.

A New Energy Ordering and the Dipole Moment of Gas Phase Glycine via Plane-Wave Density Functional Theory Calculations

NASA Astrophysics Data System (ADS)

Min, Byeong June

2018-03-01

The abundance of glycine (Gly), the simplest amino acid, in meteorites leads us to the next question about its extraterrestrial origin. However, astronomers have not yet found glycine signature in interstellar medium. Laboratory microwave spectroscopy experiments report the most stable Gly conformer has a dipole moment of 4.5 - 5.45 Debye. Theoretical calculations, so far performed only with Gaussian basis functions, has predicted a dipole moment of about 1 Debye. This discrepancy has baffled astronomers. We study the energetics of glycine and its isomers and conformers via plane-wave density functional theory calculations. The geometric structures of the isomers and their conformers are identified, along with their relative stability and their dipole moment. In the case of glycine, we obtain the most stable conformer with a dipole moment of 5.76 Debye, close to the microwave spectroscopy experiments. If the plane wave energy cutoff is reduced to a lower value ( 400 eV) on purpose, the energy ordering reverses to the case with Gaussian basis calculations.

Wideband analytical equivalent circuit for one-dimensional periodic stacked arrays.

PubMed

Molero, Carlos; Rodríguez-Berral, Raúl; Mesa, Francisco; Medina, Francisco; Yakovlev, Alexander B

2016-01-01

A wideband equivalent circuit is proposed for the accurate analysis of scattering from a set of stacked slit gratings illuminated by a plane wave with transverse magnetic or electric polarization that impinges normally or obliquely along one of the principal planes of the structure. The slit gratings are printed on dielectric slabs of arbitrary thickness, including the case of closely spaced gratings that interact by higher-order modes. A Π-circuit topology is obtained for a pair of coupled arrays, with fully analytical expressions for all the circuit elements. This equivalent Π circuit is employed as the basis to derive the equivalent circuit of finite stacks with any given number of gratings. Analytical expressions for the Brillouin diagram and the Bloch impedance are also obtained for infinite periodic stacks.

Photonic band structures solved by a plane-wave-based transfer-matrix method.

PubMed

Li, Zhi-Yuan; Lin, Lan-Lan

2003-04-01

Transfer-matrix methods adopting a plane-wave basis have been routinely used to calculate the scattering of electromagnetic waves by general multilayer gratings and photonic crystal slabs. In this paper we show that this technique, when combined with Bloch's theorem, can be extended to solve the photonic band structure for 2D and 3D photonic crystal structures. Three different eigensolution schemes to solve the traditional band diagrams along high-symmetry lines in the first Brillouin zone of the crystal are discussed. Optimal rules for the Fourier expansion over the dielectric function and electromagnetic fields with discontinuities occurring at the boundary of different material domains have been employed to accelerate the convergence of numerical computation. Application of this method to an important class of 3D layer-by-layer photonic crystals reveals the superior convergency of this different approach over the conventional plane-wave expansion method.

Dispersion corrected hartree-fock and density functional theory for organic crystal structure prediction.

PubMed

Brandenburg, Jan Gerit; Grimme, Stefan

2014-01-01

We present and evaluate dispersion corrected Hartree-Fock (HF) and Density Functional Theory (DFT) based quantum chemical methods for organic crystal structure prediction. The necessity of correcting for missing long-range electron correlation, also known as van der Waals (vdW) interaction, is pointed out and some methodological issues such as inclusion of three-body dispersion terms are discussed. One of the most efficient and widely used methods is the semi-classical dispersion correction D3. Its applicability for the calculation of sublimation energies is investigated for the benchmark set X23 consisting of 23 small organic crystals. For PBE-D3 the mean absolute deviation (MAD) is below the estimated experimental uncertainty of 1.3 kcal/mol. For two larger π-systems, the equilibrium crystal geometry is investigated and very good agreement with experimental data is found. Since these calculations are carried out with huge plane-wave basis sets they are rather time consuming and routinely applicable only to systems with less than about 200 atoms in the unit cell. Aiming at crystal structure prediction, which involves screening of many structures, a pre-sorting with faster methods is mandatory. Small, atom-centered basis sets can speed up the computation significantly but they suffer greatly from basis set errors. We present the recently developed geometrical counterpoise correction gCP. It is a fast semi-empirical method which corrects for most of the inter- and intramolecular basis set superposition error. For HF calculations with nearly minimal basis sets, we additionally correct for short-range basis incompleteness. We combine all three terms in the HF-3c denoted scheme which performs very well for the X23 sublimation energies with an MAD of only 1.5 kcal/mol, which is close to the huge basis set DFT-D3 result.

Re-evaluation of ``;The Propagation of Radiation in the Spherical Wave Form''

NASA Astrophysics Data System (ADS)

Joshi, Narahari V.

2012-03-01

It is well accepted that radiation propagates in the free space (without obstacles) in a spherical wave form as well as in a plane wave form. Almost all observed phenomena such as interference, diffraction etc are explained satisfactorily on the basis of spherical wave propagation with a slight alteration in the mathematical treatment. However, one of the fundamental aspects, namely the intensity of the radiation as a function of the distance still remains an unsolved problem as the intensity varies with 1/(distance)2 when one represents the propagation in terms of spherical waves while it is independent of the distance if it is considered as a plane wave. In order to understand this puzzle, the propagation by a spherical wave form is reexamined. It is found that conversion of fields into particle (vice versa), via the field quantization process, explains several dilemma related with the radiation propagation.

Test of a General Formula for Black Hole Gravitational Wave Kicks

NASA Technical Reports Server (NTRS)

van Meter, James R.; Miller, M. Coleman; Baker, John G.; Boggs, William D.; Kelly, Bernard J.

2010-01-01

Although the gravitational wave kick velocity in the orbital plane of coalescing black holes has been understood for some time, apparently conflicting formulae have been proposed for the dominant outof- plane kick, each a good fit to different data sets. This is important to resolve because it is only the out-of-plane kicks that can reach more than 500 km s-l and can thus eject merged remnants from galaxies. Using a different ansatz for the out-of-plane kick, we show that we can fit almost all existing data to better than 5%. This is good enough for any astrophysical calculation and shows that the previous apparent conflict was only because the two data sets explored different aspects of the kick parameter space.

Ab-initio calculation for cation vacancy formation energy in anti-fluorite structure

NASA Astrophysics Data System (ADS)

Saleel, V. P. Saleel Ahammad; Chitra, D.; Veluraja, K.; Eithiraj, R. D.

2018-04-01

Lithium oxide (Li2O) has been suggested as a suitable breeder blanket material for fusion reactors. Li+ vacancies are created by neutron irradiation, forming bulk defect complex whose extra character is experimentally unclear. We present a theoretical study of Li2O using density functional theory (DFT) with a plane-wave basis set. The generalized gradient approximation (GGA) and local-density approximation (LDA) were used for exchange and correlation. Here we address the total energy for defect free, cation defect, cation vacancy and vacancy formation energy in Li2O crystal in anti-fluorite structure.

Self-propulsion of a planar electric or magnetic microbot immersed in a polar viscous fluid

NASA Astrophysics Data System (ADS)

Felderhof, B. U.

2011-05-01

A planar sheet immersed in an electrically polar liquid like water can propel itself by means of a plane wave charge density propagating in the sheet. The corresponding running electric wave polarizes the fluid and causes an electrical torque density to act on the fluid. The sheet is convected by the fluid motion resulting from the conversion of rotational particle motion, generated by the torque density, into translational fluid motion by the mechanism of friction and spin diffusion. Similarly, a planar sheet immersed in a magnetic ferrofluid can propel itself by means of a plane wave current density in the sheet and the torque density acting on the fluid corresponding to the running wave magnetic field and magnetization. The effect is studied on the basis of the micropolar fluid equations of motion and Maxwell’s equations of electrostatics or magnetostatics, respectively. An analytic expression is derived for the velocity of the sheet by perturbation theory to second order in powers of the amplitude of the driving charge or current density. Under the assumption that the equilibrium magnetic equation of state may be used in linearized form and that higher harmonics than the first may be neglected, a set of self-consistent integral equations is derived which can be solved numerically by iteration. In typical situations the second-order perturbation theory turns out to be quite accurate.

Scattering Matrix for the Interaction between Solar Acoustic Waves and Sunspots. I. Measurements

NASA Astrophysics Data System (ADS)

Yang, Ming-Hsu; Chou, Dean-Yi; Zhao, Hui

2017-01-01

Assessing the interaction between solar acoustic waves and sunspots is a scattering problem. The scattering matrix elements are the most commonly used measured quantities to describe scattering problems. We use the wavefunctions of scattered waves of NOAAs 11084 and 11092 measured in the previous study to compute the scattering matrix elements, with plane waves as the basis. The measured scattered wavefunction is from the incident wave of radial order n to the wave of another radial order n‧, for n=0{--}5. For a time-independent sunspot, there is no mode mixing between different frequencies. An incident mode is scattered into various modes with different wavenumbers but the same frequency. Working in the frequency domain, we have the individual incident plane-wave mode, which is scattered into various plane-wave modes with the same frequency. This allows us to compute the scattering matrix element between two plane-wave modes for each frequency. Each scattering matrix element is a complex number, representing the transition from the incident mode to another mode. The amplitudes of diagonal elements are larger than those of the off-diagonal elements. The amplitude and phase of the off-diagonal elements are detectable only for n-1≤slant n\\prime ≤slant n+1 and -3{{Δ }}k≤slant δ {k}x≤slant 3{{Δ }}k, where δ {k}x is the change in the transverse component of the wavenumber and Δk = 0.035 rad Mm-1.

Ultrasonic modeling of an embedded elliptic crack

NASA Astrophysics Data System (ADS)

Fradkin, Larissa Ju.; Zalipaev, Victor

2000-05-01

Experiments indicate that the radiating near zone of a compressional circular transducer directly coupled to a homogeneous and isotropic solid has the following structure: there are geometrical zones where one can distinguish a plane compressional wave and toroidal waves, both compressional and shear, radiated by the transducer rim. As has been shown previously the modern diffraction theory allows to describe these explicitly. It also gives explicit asymptotic description of waves present in the transition zones. In case of a normal incidence of a plane compressional wave the explicit expressions have been obtained by Achenbach and co-authors for the fields diffracted by a penny-shaped crack. We build on the above work by applying the uniform GTD to model an oblique incidence of a plane compressional wave on an elliptical crack. We compare our asymptotic results with numerical results based on the boundary integral code as developed by Glushkovs, Krasnodar University, Russia. The asymptotic formulas form a basis of a code for high-frequency simulation of ultrasonic scattering by elliptical cracks situated in the vicinity of a compressional circular transducer, currently under development at our Center.

X-ray EM simulation tool for ptychography dataset construction

NASA Astrophysics Data System (ADS)

Stoevelaar, L. Pjotr; Gerini, Giampiero

2018-03-01

In this paper, we present an electromagnetic full-wave modeling framework, as a support EM tool providing data sets for X-ray ptychographic imaging. Modeling the entire scattering problem with Finite Element Method (FEM) tools is, in fact, a prohibitive task, because of the large area illuminated by the beam (due to the poor focusing power at these wavelengths) and the very small features to be imaged. To overcome this problem, the spectrum of the illumination beam is decomposed into a discrete set of plane waves. This allows reducing the electromagnetic modeling volume to the one enclosing the area to be imaged. The total scattered field is reconstructed by superimposing the solutions for each plane wave illumination.

Forward volume and surface magnetostatic modes in an yttrium iron garnet film for out-of-plane magnetic fields: Theory and experiment

NASA Astrophysics Data System (ADS)

Lim, Jinho; Bang, Wonbae; Trossman, Jonathan; Amanov, Dovran; Ketterson, John B.

2018-05-01

We present experimental and theoretical results on the propagation of magnetostatic spin waves in a film of yttrium iron garnet (YIG) for out-of-plane magnetic fields for which propagation in opposite directions is nonreciprocal in the presence of a metal layer. The plane studied is defined by the film normal n and n × k where k is the wave vector of the mode. Spin waves in this setting are classified as forward volume waves or surface waves and display non-reciprocity in the presence of an adjacent metal layer except for when H//n. The measurements are carried out in a transmission geometry, and a microwave mixer is used to measure the change of phase, and with it the evolution of wavevector, of the arriving spin wave with external magnetic field.

Pseudopotential plane-wave calculation of the structural properties of yttrium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Y.; Chou, M.Y.

1991-11-01

The structural properties of hexagonal-close-packed yttrium are studied by using the plane-wave basis within the pseudopotential method and local-density-functional approximation. By employing a soft'' pseudopotential proposed by Troullier and Martins, satisfactory convergence is achieved with a plane-wave energy cutoff of 30--40 Ry for this early-transition-metal element. The overall results for the structural properties are in good agreement with experiment. It is found that the charge overlap between core and valence electrons has a substantial effect on the accuracy of the calculated structural properties. Two different calculations are performed with and without the outer-core 4{ital p} orbital included as a valencemore » state. In addition, as found in some other local-density calculations, the uncertainty in the results due to different exchange-correlation energy functionals may not be negligible in transition metals.« less

Third International Kharkov Symposium "Physics and Engineering of Millimeter and Submillimeter Waves" MSMW󈨦 Symposium Proceedings, Volume 1,

DTIC Science & Technology

1998-09-01

potential of the surface wave electromagnetic field; ea is the unit of the polarization vectors : ex = ela. = e2x= (qx/\\q\\)\\/L\\q\\/(ei + e0), ely... polarization basis of the incident wave: EB°=eB^(/kr), (1) where e„ is the cyclic unit vector , n = ±1, k is the wave vector . The equation describing...rectangular grid. From the direction determined by wave vector k0, the plane electromagnetic wave of linear polarization incidents onto the array. It

An ab initio investigation of possible intermediates in the reaction of the hydroxyl and hydroperoxyl radicals

NASA Technical Reports Server (NTRS)

Jackels, C. F.

1985-01-01

Ab initio quantum chemical techniques are used to investigate covalently-bonded and hydrogen-bonded species that may be important intermediates in the reaction of hydroxyl and hydroperoxyl radicals. Stable structures of both types are identified. Basis sets of polarized double zeta quality and large scale configuration interaction wave functions are utilized. Based on electronic energies, the covalently bonded HOOOH species is 26.4 kcal/mol more stable than the OH and HO2 radicals. Similarly, the hydrogen bonded HO---HO2 species has an electronic energy 4.7 kcal/mol below that of the component radicals, after correction is made for the basis set superposition error. The hydrogen bonded form is planar, possesses one relatively normal hydrogen bond, and has the lowest energy 3A' and 1A' states that are essentially degenerate. The 1A" and 3A" excited states produced by rotation of the unpaired OH electron into the molecular plane are very slightly bound.

Efficient use of bit planes in the generation of motion stimuli

NASA Technical Reports Server (NTRS)

Mulligan, Jeffrey B.; Stone, Leland S.

1988-01-01

The production of animated motion sequences on computer-controlled display systems presents a technical problem because large images cannot be transferred from disk storage to image memory at conventional frame rates. A technique is described in which a single base image can be used to generate a broad class of motion stimuli without the need for such memory transfers. This technique was applied to the generation of drifting sine-wave gratings (and by extension, sine wave plaids). For each drifting grating, sine and cosine spatial phase components are first reduced to 1 bit/pixel using a digital halftoning technique. The resulting pairs of 1-bit images are then loaded into pairs of bit planes of the display memory. To animate the patterns, the display hardware's color lookup table is modified on a frame-by-frame basis; for each frame the lookup table is set to display a weighted sum of the spatial sine and cosine phase components. Because the contrasts and temporal frequencies of the various components are mutually independent in each frame, the sine and cosine components can be counterphase modulated in temporal quadrature, yielding a single drifting grating. Using additional bit planes, multiple drifting gratings can be combined to form sine-wave plaid patterns. A large number of resultant plaid motions can be produced from a single image file because the temporal frequencies of all the components can be varied independently. For a graphics device having 8 bits/pixel, up to four drifting gratings may be combined, each having independently variable contrast and speed.

Projection operators for the Rossby and Poincare waves in a beta-plane approximation

NASA Astrophysics Data System (ADS)

Lebedkina, Anastasia; Ivan, Karpov; Sergej, Leble

2013-04-01

Study of the wave structure variations of atmospheric parameters is a due to a solving of number practical problems associated with the weather and the state of the environment requires knowledge of the spectral characteristics of atmospheric waves. Modern methods, for identification of wave disturbances in the atmosphere, based on the harmonic analysis of observations. The success of these application is determined by the presence of sets of experimental data obtained in the long-term (over the period of the wave) of the atmosphere on a large number of independent observation stations. Currently, the system of observation in the atmosphere, both terrestrial and satellite, unevenly covers the surface of the Earth and, despite the length of observation, doesn't solve the problem of identification of waves. Thus, the problem of identification wave disturbances conflicts fundamental difficulties, and solution needs in a new methods for the analysis of observations. The work complete a procedure to construct a projection operators for large-scale waves in the atmosphere. Advantage of this method is the ability to identify type of wave and its characteristics only on the base of a time series of observations. It means that the problem of waves identification can be solved on the basis of only one station observations. In the method assumed that the observed spatial and temporal structure of the atmosphere is determined by the superposition of different type waves. For each type of waves involved in this superposition, dispersion and polarization relations (between the components of the wave vector of the field) expect as known. Based on these assumptions, we can construct projection operators on the initial superposition state on the linear basis of vectors corresponding to the known type of atmospheric waves. The action of the design on the superposition state, which, in fact, is the result of observations, determine the amplitude and phase of the waves of a known type. The idea to use the polarization relations for the classification of waves originated in radio physics in the works of A. A. Novikov. In the theory of the electromagnetic field polarization relations is traditionally included in the analysis of wave phenomena. In the theory of acoustic-gravity waves, projection operators were introduced in a works of S. B. Leble. The object of study is a four-dimentional vector (components of the velocity, pressure and temperature). Based on these assumptions, we can construct the projection operators for superposition state on the linear basis, corresponding to the well-known type of waves. In this paper we consider procedure for construction of a projection operators for planetary Rossby and Poincare waves in the Earth's atmosphere in the approximation of the "beta-plane". In a result of work we constructed projection operators in this approximation for Poincare and Rossby waves. The tests for operators shown, that separation of the contribution of corresponding waves from source of the wave field is possible. Estimation accuracy of the operators and results of applying operators to the data TEC presented.

Three-dimensional shear wave elastography for differentiation of breast lesions: An initial study with quantitative analysis using three orthogonal planes.

PubMed

Wang, Qiao

2018-05-25

To prospectively evaluate the diagnostic performance of three-dimensional (3D) shear wave elastography (SWE) for breast lesions with quantitative stiffness information from transverse, sagittal and coronal planes. Conventional ultrasound (US), two-dimensional (2D)-SWE and 3D-SWE were performed for 122 consecutive patients with 122 breast lesions before biopsy or surgical excision. Maximum elasticity values of Young's modulus (Emax) were recorded on 2D-SWE and three planes of 3D-SWE. Area under the receiver operating characteristic curve (AUC), sensitivity and specificity of US, 2D-SWE and 3D-SWE were evaluated. Two combined sets (i.e., BI-RADS and 2D-SWE; BI-RADS and 3D-SWE) were compared in AUC. Observer consistency was also evaluated. On 3D-SWE, the AUC and sensitivity of sagittal plane were significantly higher than those of transverse and coronal planes (both P < 0.05). Compared with BI-RADS alone, both combined sets had significantly (P < 0.05) higher AUCs and specificities, whereas, the two combined sets showed no significant difference in AUC (P > 0.05). However, the combined set of BI-RADS and sagittal plane of 3D-SWE had significantly higher sensitivity than the combined set of BI-RADS and 2D-SWE. The sagittal plane shows the best diagnostic performance among 3D-SWE. The combination of BI-RADS and 3D-SWE is a useful tool for predicting breast malignant lesions in comparison with BI-RADS alone.

Separation of Migration and Tomography Modes of Full-Waveform Inversion in the Plane Wave Domain

NASA Astrophysics Data System (ADS)

Yao, Gang; da Silva, Nuno V.; Warner, Michael; Kalinicheva, Tatiana

2018-02-01

Full-waveform inversion (FWI) includes both migration and tomography modes. The migration mode acts like a nonlinear least squares migration to map model interfaces with reflections, while the tomography mode behaves as tomography to build a background velocity model. The migration mode is the main response of inverting reflections, while the tomography mode exists in response to inverting both the reflections and refractions. To emphasize one of the two modes in FWI, especially for inverting reflections, the separation of the two modes in the gradient of FWI is required. Here we present a new method to achieve this separation with an angle-dependent filtering technique in the plane wave domain. We first transform the source and residual wavefields into the plane wave domain with the Fourier transform and then decompose them into the migration and tomography components using the opening angles between the transformed source and residual plane waves. The opening angles close to 180° contribute to the tomography component, while the others correspond to the migration component. We find that this approach is very effective and robust even when the medium is relatively complicated with strong lateral heterogeneities, highly dipping reflectors, and strong anisotropy. This is well demonstrated by theoretical analysis and numerical tests with a synthetic data set and a field data set.

Superconductivity in engineered two-dimensional electron gases

NASA Astrophysics Data System (ADS)

Chubukov, Andrey V.; Kivelson, Steven A.

2017-11-01

We consider Kohn-Luttinger mechanism for superconductivity in a two-dimensional electron gas confined to a narrow well between two grounded metallic planes with two occupied subbands with Fermi momenta kF L>kF S . On the basis of a perturbative analysis, we conclude that non-s -wave superconductivity emerges even when the bands are parabolic. We analyze the conditions that maximize Tc as a function of the distance to the metallic planes, the ratio kF L/kF S , and rs, which measures the strength of Coulomb correlations. The largest attraction is in p -wave and d -wave channels, of which p wave is typically the strongest. For rs=O (1 ) we estimate that the dimensionless coupling λ ≈10-1 , but it likely continues increasing for larger rs (where we lose theoretical control).

Helical localized wave solutions of the scalar wave equation.

PubMed

Overfelt, P L

2001-08-01

A right-handed helical nonorthogonal coordinate system is used to determine helical localized wave solutions of the homogeneous scalar wave equation. Introducing the characteristic variables in the helical system, i.e., u = zeta - ct and v = zeta + ct, where zeta is the coordinate along the helical axis, we can use the bidirectional traveling plane wave representation and obtain sets of elementary bidirectional helical solutions to the wave equation. Not only are these sets bidirectional, i.e., based on a product of plane waves, but they may also be broken up into right-handed and left-handed solutions. The elementary helical solutions may in turn be used to create general superpositions, both Fourier and bidirectional, from which new solutions to the wave equation may be synthesized. These new solutions, based on the helical bidirectional superposition, are members of the class of localized waves. Examples of these new solutions are a helical fundamental Gaussian focus wave mode, a helical Bessel-Gauss pulse, and a helical acoustic directed energy pulse train. Some of these solutions have the interesting feature that their shape and localization properties depend not only on the wave number governing propagation along the longitudinal axis but also on the normalized helical pitch.

Experimental Basis for IED Particle Model

NASA Astrophysics Data System (ADS)

Zheng-Johansson, J.

2009-03-01

The internally electrodynamic (IED) particle model is built on three experimental facts: a) electric charges present in all matter particles, b) an accelerated charge generates electromagnetic (EM) waves by Maxwell's equations and Planck energy equation, and c) source motion gives Doppler effect. A set of well-kwon basic particle equations have been predicted based on first-principles solutions for IED particle (e.g. J Phys CS128, 012019, 2008); the equations are long experimentally validated. A critical review of the key experiments suggests that the IED process underlies these equations not just sufficiently but also necessarily. E.g.: 1) A free IED electron solution is a plane wave ψ= Ce^i(kdX-φT) requisite for producing the diffraction fringe in a Davisson-Germer experiment, and of also all basic point-like attributes facilitated by a linear momentum kd and the model structure. It needs not further be a wave packet which produces not a diffraction fringe. 2)The radial partial EM waves, hence the total ψ, of an IED electron will, on both EM theory and experiment basis -not by assumption, enter two slits at the same time, as is requisite for an electron to interfere with itself as shown in double slit experiments. 3) On annihilation, an electron converts (from mass m) to a radiation energy φ without an acceleration which is externally observable and yet requisite by EM theory. So a charge oscillation of frequency φ and its EM waves must regularly present internal of a normal electron, whence the IED model.

A New Algorithm with Plane Waves and Wavelets for Random Velocity Fields with Many Spatial Scales

NASA Astrophysics Data System (ADS)

Elliott, Frank W.; Majda, Andrew J.

1995-03-01

A new Monte Carlo algorithm for constructing and sampling stationary isotropic Gaussian random fields with power-law energy spectrum, infrared divergence, and fractal self-similar scaling is developed here. The theoretical basis for this algorithm involves the fact that such a random field is well approximated by a superposition of random one-dimensional plane waves involving a fixed finite number of directions. In general each one-dimensional plane wave is the sum of a random shear layer and a random acoustical wave. These one-dimensional random plane waves are then simulated by a wavelet Monte Carlo method for a single space variable developed recently by the authors. The computational results reported in this paper demonstrate remarkable low variance and economical representation of such Gaussian random fields through this new algorithm. In particular, the velocity structure function for an imcorepressible isotropic Gaussian random field in two space dimensions with the Kolmogoroff spectrum can be simulated accurately over 12 decades with only 100 realizations of the algorithm with the scaling exponent accurate to 1.1% and the constant prefactor accurate to 6%; in fact, the exponent of the velocity structure function can be computed over 12 decades within 3.3% with only 10 realizations. Furthermore, only 46,592 active computational elements are utilized in each realization to achieve these results for 12 decades of scaling behavior.

Theoretical study of the properties of X-ray diffraction moiré fringes. I

PubMed Central

Yoshimura, Jun-ichi

2015-01-01

A detailed and comprehensive theoretical description of X-ray diffraction moiré fringes for a bicrystal specimen is given on the basis of a calculation by plane-wave dynamical diffraction theory. Firstly, prior to discussing the main subject of the paper, a previous article [Yoshimura (1997 ▸). Acta Cryst. A53, 810–812] on the two-dimensionality of diffraction moiré patterns is restated on a thorough calculation of the moiré interference phase. Then, the properties of moiré fringes derived from the above theory are explained for the case of a plane-wave diffraction image, where the significant effect of Pendellösung intensity oscillation on the moiré pattern when the crystal is strained is described in detail with theoretically simulated moiré images. Although such plane-wave moiré images are not widely observed in a nearly pure form, knowledge of their properties is essential for the understanding of diffraction moiré fringes in general. PMID:25970298

Detailed Wave Function Analysis for Multireference Methods: Implementation in the Molcas Program Package and Applications to Tetracene.

PubMed

Plasser, Felix; Mewes, Stefanie A; Dreuw, Andreas; González, Leticia

2017-11-14

High-level multireference computations on electronically excited and charged states of tetracene are performed, and the results are analyzed using an extensive wave function analysis toolbox that has been newly implemented in the Molcas program package. Aside from verifying the strong effect of dynamic correlation, this study reveals an unexpected critical influence of the atomic orbital basis set. It is shown that different polarized double-ζ basis sets produce significantly different results for energies, densities, and overall wave functions, with the best performance obtained for the atomic natural orbital (ANO) basis set by Pierloot et al. Strikingly, the ANO basis set not only reproduces the energies but also performs exceptionally well in terms of describing the diffuseness of the different states and of their attachment/detachment densities. This study, thus, not only underlines the fact that diffuse basis functions are needed for an accurate description of the electronic wave functions but also shows that, at least for the present example, it is enough to include them implicitly in the contraction scheme.

Full-band quantum simulation of electron devices with the pseudopotential method: Theory, implementation, and applications

NASA Astrophysics Data System (ADS)

Pala, M. G.; Esseni, D.

2018-03-01

This paper presents the theory, implementation, and application of a quantum transport modeling approach based on the nonequilibrium Green's function formalism and a full-band empirical pseudopotential Hamiltonian. We here propose to employ a hybrid real-space/plane-wave basis that results in a significant reduction of the computational complexity compared to a full plane-wave basis. To this purpose, we provide a theoretical formulation in the hybrid basis of the quantum confinement, the self-energies of the leads, and the coupling between the device and the leads. After discussing the theory and the implementation of the new simulation methodology, we report results for complete, self-consistent simulations of different electron devices, including a silicon Esaki diode, a thin-body silicon field effect transistor (FET), and a germanium tunnel FET. The simulated transistors have technologically relevant geometrical features with a semiconductor film thickness of about 4 nm and a channel length ranging from 10 to 17 nm. We believe that the newly proposed formalism may find applications also in transport models based on ab initio Hamiltonians, as those employed in density functional theory methods.

The fractal geometry of Hartree-Fock

NASA Astrophysics Data System (ADS)

Theel, Friethjof; Karamatskou, Antonia; Santra, Robin

2017-12-01

The Hartree-Fock method is an important approximation for the ground-state electronic wave function of atoms and molecules so that its usage is widespread in computational chemistry and physics. The Hartree-Fock method is an iterative procedure in which the electronic wave functions of the occupied orbitals are determined. The set of functions found in one step builds the basis for the next iteration step. In this work, we interpret the Hartree-Fock method as a dynamical system since dynamical systems are iterations where iteration steps represent the time development of the system, as encountered in the theory of fractals. The focus is put on the convergence behavior of the dynamical system as a function of a suitable control parameter. In our case, a complex parameter λ controls the strength of the electron-electron interaction. An investigation of the convergence behavior depending on the parameter λ is performed for helium, neon, and argon. We observe fractal structures in the complex λ-plane, which resemble the well-known Mandelbrot set, determine their fractal dimension, and find that with increasing nuclear charge, the fragmentation increases as well.

Improved Plane-Wave Ultrasound Beamforming by Incorporating Angular Weighting and Coherent Compounding in Fourier Domain.

PubMed

Chen, Chuan; Hendriks, Gijs A G M; van Sloun, Ruud J G; Hansen, Hendrik H G; de Korte, Chris L

2018-05-01

In this paper, a novel processing framework is introduced for Fourier-domain beamforming of plane-wave ultrasound data, which incorporates coherent compounding and angular weighting in the Fourier domain. Angular weighting implies spectral weighting by a 2-D steering-angle-dependent filtering template. The design of this filter is also optimized as part of this paper. Two widely used Fourier-domain plane-wave ultrasound beamforming methods, i.e., Lu's f-k and Stolt's f-k methods, were integrated in the framework. To enable coherent compounding in Fourier domain for the Stolt's f-k method, the original Stolt's f-k method was modified to achieve alignment of the spectra for different steering angles in k-space. The performance of the framework was compared for both methods with and without angular weighting using experimentally obtained data sets (phantom and in vivo), and data sets (phantom) provided by the IEEE IUS 2016 plane-wave beamforming challenge. The addition of angular weighting enhanced the image contrast while preserving image resolution. This resulted in images of equal quality as those obtained by conventionally used delay-and-sum (DAS) beamforming with apodization and coherent compounding. Given the lower computational load of the proposed framework compared to DAS, to our knowledge it can, therefore, be concluded that it outperforms commonly used beamforming methods such as Stolt's f-k, Lu's f-k, and DAS.

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 0

LETTER TO THE EDITOR: Two-centre exchange integrals for complex exponent Slater orbitals

NASA Astrophysics Data System (ADS)

Kuang, Jiyun; Lin, C. D.

1996-12-01

The one-dimensional integral representation for the Fourier transform of a two-centre product of B functions (finite linear combinations of Slater orbitals) with real parameters is generalized to include B functions with complex parameters. This one-dimensional integral representation allows for an efficient method of calculating two-centre exchange integrals with plane-wave electronic translational factors (ETF) over Slater orbitals of real/complex exponents. This method is a significant improvement on the previous two-dimensional quadrature method of the integrals. A new basis set of the form 0953-4075/29/24/005/img1 is proposed to improve the description of pseudo-continuum states in the close-coupling treatment of ion - atom collisions.

GW100: Benchmarking G0W0 for Molecular Systems.

PubMed

van Setten, Michiel J; Caruso, Fabio; Sharifzadeh, Sahar; Ren, Xinguo; Scheffler, Matthias; Liu, Fang; Lischner, Johannes; Lin, Lin; Deslippe, Jack R; Louie, Steven G; Yang, Chao; Weigend, Florian; Neaton, Jeffrey B; Evers, Ferdinand; Rinke, Patrick

2015-12-08

We present the GW100 set. GW100 is a benchmark set of the ionization potentials and electron affinities of 100 molecules computed with the GW method using three independent GW codes and different GW methodologies. The quasi-particle energies of the highest-occupied molecular orbitals (HOMO) and lowest-unoccupied molecular orbitals (LUMO) are calculated for the GW100 set at the G0W0@PBE level using the software packages TURBOMOLE, FHI-aims, and BerkeleyGW. The use of these three codes allows for a quantitative comparison of the type of basis set (plane wave or local orbital) and handling of unoccupied states, the treatment of core and valence electrons (all electron or pseudopotentials), the treatment of the frequency dependence of the self-energy (full frequency or more approximate plasmon-pole models), and the algorithm for solving the quasi-particle equation. Primary results include reference values for future benchmarks, best practices for convergence within a particular approach, and average error bars for the most common approximations.

Shear Wave Generation by Explosions in Anisotropic Crystalline Rock

NASA Astrophysics Data System (ADS)

Rogers-Martinez, M. A.; Sammis, C. G.; Stroujkova, A. F.

2015-12-01

The use of seismic waves to discriminate between earthquakes and underground explosions is complicated by the observation that explosions routinely radiate strong S waves. Whether these S waves are primarily generated by non-linear processes at the source, or by mode conversions and scattering along the path remains an open question. It has been demonstrated that S waves are generated at the source by any mechanism that breaks the spherical symmetry of the explosion. Examples of such mechanisms include tectonic shear stress, spall, and anisotropy in the emplacement medium. Many crystalline rock massifs are transversely isotropic because they contain aligned fractures over a range of scales from microfractures at the grain scale (called the rift) to regional sets of joints. In this study we use a micromechanical damage mechanics to model the fracture damage patterns and seismic radiation generated by explosions in a material in which the initial distribution of fractures has a preferred direction. Our simulations are compared with a set of field experiments in a granite quarry in Barre, VT conducted by New England Research and Weston Geophysical. Barre granite has a strong rift plane of aligned microfractures. Our model captures two important results of these field studies: 1) the spatial extent of rock fracture and generation of S waves depends on the burn-rate of the explosion and 2) the resultant damage is anisotropic with most damage occurring in the preferred direction of the microfractures (the rift plane in the granite). The physical reason damage is enhanced in the rift direction is that the mode I stress intensity factor is large for each fracture in the array of parallel fractures in the rift plane. Tensile opening on the rift plane plus sliding on the preexisting fractures make strong non-spherical contributions to the moment tensor in the far-field.

System alignment using the Talbot effect

NASA Astrophysics Data System (ADS)

Chevallier, Raymond; Le Falher, Eric; Heggarty, Kevin

1990-08-01

The Talbot effect is utilized to correct an alignment problem related to a neural network used for image recognition, which required the alignment of a spatial light modulator (SLM) with the input module. A mathematical model which employs the Fresnel diffraction theory is presented to describe the method. The calculation of the diffracted amplitude describes the wavefront sphericity and the original object transmittance function in order to qualify the lateral shift of the Talbot image. Another explanation is set forth in terms of plane-wave illumination in the neural network. Using a Fourier series and by describing planes where all the harmonics are in phase, the reconstruction of Talbot images is explained. The alignment is effective when the lenslet array is aligned on the even Talbot images of the SLM pixels and the incident wave is a plane wave. The alignment is evaluated in terms of source and periodicity errors, tilt of the incident plane waves, and finite object dimensions. The effects of the error sources are concluded to be negligible, the lenslet array is shown to be successfully aligned with the SLM, and other alignment applications are shown to be possible.

Experimental Basis for IED Particle Model

NASA Astrophysics Data System (ADS)

Zheng-Johansson, J.

2009-05-01

The internally electrodynamic (IED) particle model is built on three experimental facts: a) electric charges present in all matter particles, b) an accelerated charge generates electromagnetic (EM) waves by Maxwell's equations and Planck energy equation, and c) source motion gives Doppler effect. A set of well-kwon basic particle equations have been predicted based on first-principles solutions for IED particle (e.g. arxiv:0812.3951, J Phys CS128, 012019, 2008); the equations are long experimentally validated. A critical review of the key experiments suggests that the IED process underlies these equations not just sufficiently but also necessarily. E.g.: 1) A free IED electron solution is a plane wave ψ= Ce^i(kdX-φT) requisite for producing the diffraction fringe in a Davisson-Germer experiment, and of also all basic point-like attributes facilitated by a linear momentum kd and the model structure. It needs not further be a wave packet which produces not a diffraction fringe. 2)The radial partial EM waves, hence the total ψ, of an IED electron will, on both EM theory and experiment basis -not by assumption, enter two slits at the same time, as is requisite for an electron to interfere with itself as shown in double slit experiments. 3) On annihilation, an electron converts (from mass m) to a radiation energy φ without an acceleration which is externally observable and yet requisite by EM theory. So a charge oscillation of frequency φ and its EM waves must regularly present internal of a normal electron, whence the IED model.

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

PubMed

Hald, Jørgen

2014-11-01

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

DFT study of adsorption and dissociation of thiophene molecules on Ni(1 1 0)

NASA Astrophysics Data System (ADS)

Morin, C.; Eichler, A.; Hirschl, R.; Sautet, P.; Hafner, J.

2003-08-01

The different adsorption possibilities of thiophene (C 4H 4S) on the Ni(1 1 0) surface have been studied using first principle local-density-functional calculations, with the Vienna ab initio simulation package, which is based on a plane wave basis set and projector augmented wave potentials. For each configuration, a geometric optimisation has been performed. A detailed analysis of the structural and electronic properties of the molecule and the surface in the most stable conformations is presented, showing the combined roles of the molecular distortion and the interactions between the molecule and the surface. Three structures with comparatively large adsorption energies are identified, all with the molecule plane parallel to the surface. Starting from these stabilised structures, various scenarios for the desulfurisation process have been envisaged. While, for the most stable structure, the formation of an adsorbed thiol is an activated process, with an energetic barrier of 0.70 eV, the two structures which are just a bit less stable can dissociate to a C 4H 4 species and a sulfur atom with barriers as low as 0.07 eV. A description of the different transition states and a kinetic analysis of the desulfurisation reaction is also presented.

Invertible propagator for plane wave illumination of forward-scattering structures.

PubMed

Samelsohn, Gregory

2017-05-10

Propagation of directed waves in forward-scattering media is considered. It is assumed that the evolution of the wave field is governed by the standard parabolic wave equation. An efficient one-step momentum-space propagator, suitable for a tilted plane wave illumination of extended objects, is derived. It is expressed in terms of a propagation operator that transforms (the complex exponential of) a linogram of the illuminated object into a set of its diffraction patterns. The invertibility of the propagator is demonstrated, which permits a multiple-shot scatter correction to be performed, and makes the solution especially attractive for either projective or tomographic imaging. As an example, high-resolution tomograms are obtained in numerical simulations implemented for a synthetic phantom, with both refractive and absorptive inclusions.

Visualization of a Large Set of Hydrogen Atomic Orbital Contours Using New and Expanded Sets of Parametric Equations

ERIC Educational Resources Information Center

Rhile, Ian J.

2014-01-01

Atomic orbitals are a theme throughout the undergraduate chemistry curriculum, and visualizing them has been a theme in this journal. Contour plots as isosurfaces or contour lines in a plane are the most familiar representations of the hydrogen wave functions. In these representations, a surface of a fixed value of the wave function ? is plotted…

Study of Equatorial Ionospheric irregularities and Mapping of Electron Density Profiles and Ionograms

DTIC Science & Technology

2012-03-09

equation is a product of a complex basis vector in Jackson and a linear combination of plane wave functions. We convert both the amplitudes and the...wave function arguments from complex scalars to complex vectors . This conversion allows us to separate the electric field vector and the imaginary...magnetic field vector , because exponentials of imaginary scalars convert vectors to imaginary vectors and vice versa, while ex- ponentials of imaginary

Fundamentals of microcrack nucleation mechanics

NASA Technical Reports Server (NTRS)

Fu, L. S.; Sheu, Y. C.; Co, C. M.; Zhong, W. F.; Shen, H. D.

1985-01-01

A foundation for ultrasonic evaluation of microcrack nucleation mechanics is identified in order to establish a basis for correlations between plane strain fracture toughness and ultrasonic factors through the interaction of elastic waves with material microstructures. Since microcracking is the origin of (brittle) fracture, it is appropriate to consider the role of stress waves in the dynamics of microcracking. Therefore, the following topics are discussed: (1) microstress distributions with typical microstructural defects located in the stress field; (2) elastic wave scattering from various idealized defects; and (3) dynamic effective-properties of media with randomly distributed inhomogeneities.

Compressed modes for variational problems in mathematical physics and compactly supported multiresolution basis for the Laplace operator

NASA Astrophysics Data System (ADS)

Ozolins, Vidvuds; Lai, Rongjie; Caflisch, Russel; Osher, Stanley

2014-03-01

We will describe a general formalism for obtaining spatially localized (``sparse'') solutions to a class of problems in mathematical physics, which can be recast as variational optimization problems, such as the important case of Schrödinger's equation in quantum mechanics. Sparsity is achieved by adding an L1 regularization term to the variational principle, which is shown to yield solutions with compact support (``compressed modes''). Linear combinations of these modes approximate the eigenvalue spectrum and eigenfunctions in a systematically improvable manner, and the localization properties of compressed modes make them an attractive choice for use with efficient numerical algorithms that scale linearly with the problem size. In addition, we introduce an L1 regularized variational framework for developing a spatially localized basis, compressed plane waves (CPWs), that spans the eigenspace of a differential operator, for instance, the Laplace operator. Our approach generalizes the concept of plane waves to an orthogonal real-space basis with multiresolution capabilities. Supported by NSF Award DMR-1106024 (VO), DOE Contract No. DE-FG02-05ER25710 (RC) and ONR Grant No. N00014-11-1-719 (SO).

Alternative formulation of explicitly correlated third-order Møller-Plesset perturbation theory

NASA Astrophysics Data System (ADS)

Ohnishi, Yu-ya; Ten-no, Seiichiro

2013-09-01

The second-order wave operator in the explicitly correlated wave function theory has been newly defined as an extension of the conventional s- and p-wave (SP) ansatz (also referred to as the FIXED amplitude ansatz) based on the linked-diagram theorem. The newly defined second-order wave operator has been applied to the calculation of the F12 correction to the third-order many-body perturbation (MP3) energy. In addition to this new wave operator, the F12 correction with the conventional first-order wave operator has been derived and calculated. Among three components of the MP3 correlation energy, the particle ladder contribution, which has shown the slowest convergence with respect to the basis set size, is fairly ameliorated by employing these F12 corrections. Both the newly defined and conventional formalisms of the F12 corrections exhibit a similar recovery of over 90% of the complete basis set limit of the particle ladder contribution of the MP3 correlation energy with a triple-zeta quality basis set for the neon atom, while the amount is about 75% without the F12 correction. The corrections to the ring term are small but the corrected energy has shown similar recovery as the particle ladder term. The hole ladder term has shown a rapid convergence even without the F12 corrections. Owing to these balanced recoveries, the deviation of the total MP3 correlation energy from the complete basis set limit has been calculated to be about 1 kcal/mol with the triple-zeta quality basis set, which is more than five times smaller than the error without the F12 correction.

Photoinduced dynamics to photoluminescence in Ln3+ (Ln = Ce, Pr) doped β-NaYF4 nanocrystals computed in basis of non-collinear spin DFT with spin-orbit coupling

NASA Astrophysics Data System (ADS)

Han, Yulun; Vogel, Dayton J.; Inerbaev, Talgat M.; May, P. Stanley; Berry, Mary T.; Kilin, Dmitri S.

2018-03-01

In this work, non-collinear spin DFT + U approaches with spin-orbit coupling (SOC) are applied to Ln3+ doped β-NaYF4 (Ln = Ce, Pr) nanocrystals in Vienna ab initio Simulation Package taking into account unpaired spin configurations using the Perdew-Burke-Ernzerhof functional in a plane wave basis set. The calculated absorption spectra from non-collinear spin DFT + U approaches are compared with that from spin-polarised DFT + U approaches. The spectral difference indicates the importance of spin-flip transitions of Ln3+ ions. Suite of codes for nonadiabatic dynamics has been developed for 2-component spinor orbitals. On-the-fly nonadiabatic coupling calculations provide transition probabilities facilitated by nuclear motion. Relaxation rates of electrons and holes are calculated using Redfield theory in the reduced density matrix formalism cast in the basis of non-collinear spin DFT + U with SOC. The emission spectra are calculated using the time-integrated method along the excited state trajectories based on nonadiabatic couplings.

Polarization ellipse and Stokes parameters in geometric algebra.

PubMed

Santos, Adler G; Sugon, Quirino M; McNamara, Daniel J

2012-01-01

In this paper, we use geometric algebra to describe the polarization ellipse and Stokes parameters. We show that a solution to Maxwell's equation is a product of a complex basis vector in Jackson and a linear combination of plane wave functions. We convert both the amplitudes and the wave function arguments from complex scalars to complex vectors. This conversion allows us to separate the electric field vector and the imaginary magnetic field vector, because exponentials of imaginary scalars convert vectors to imaginary vectors and vice versa, while exponentials of imaginary vectors only rotate the vector or imaginary vector they are multiplied to. We convert this expression for polarized light into two other representations: the Cartesian representation and the rotated ellipse representation. We compute the conversion relations among the representation parameters and their corresponding Stokes parameters. And finally, we propose a set of geometric relations between the electric and magnetic fields that satisfy an equation similar to the Poincaré sphere equation.

Two-dimensional dispersion of magnetostatic volume spin waves

NASA Astrophysics Data System (ADS)

Buijnsters, Frank J.; van Tilburg, Lennert J. A.; Fasolino, Annalisa; Katsnelson, Mikhail I.

2018-06-01

Owing to the dipolar (magnetostatic) interaction, long-wavelength spin waves in in-plane magnetized films show an unusual dispersion behavior, which can be mathematically described by the model of and and refinements thereof. However, solving the two-dimensional dispersion requires the evaluation of a set of coupled transcendental equations and one has to rely on numerics. In this work, we present a systematic perturbative analysis of the spin wave model. An expansion in the in-plane wavevector allows us to obtain explicit closed-form expressions for the dispersion relation and mode profiles in various asymptotic regimes. Moreover, we derive a very accurate semi-analytical expression for the dispersion relation of the lowest-frequency mode that is straightforward to evaluate.

Ionic wave propagation and collision in an excitable circuit model of microtubules

NASA Astrophysics Data System (ADS)

Guemkam Ghomsi, P.; Tameh Berinyoh, J. T.; Moukam Kakmeni, F. M.

2018-02-01

In this paper, we report the propensity to excitability of the internal structure of cellular microtubules, modelled as a relatively large one-dimensional spatial array of electrical units with nonlinear resistive features. We propose a model mimicking the dynamics of a large set of such intracellular dynamical entities as an excitable medium. We show that the behavior of such lattices can be described by a complex Ginzburg-Landau equation, which admits several wave solutions, including the plane waves paradigm. A stability analysis of the plane waves solutions of our dynamical system is conducted both analytically and numerically. It is observed that perturbed plane waves will always evolve toward promoting the generation of localized periodic waves trains. These modes include both stationary and travelling spatial excitations. They encompass, on one hand, localized structures such as solitary waves embracing bright solitons, dark solitons, and bisolitonic impulses with head-on collisions phenomena, and on the other hand, the appearance of both spatially homogeneous and spatially inhomogeneous stationary patterns. This ability exhibited by our array of proteinic elements to display several states of excitability exposes their stunning biological and physical complexity and is of high relevance in the description of the developmental and informative processes occurring on the subcellular scale.

Ionic wave propagation and collision in an excitable circuit model of microtubules.

PubMed

Guemkam Ghomsi, P; Tameh Berinyoh, J T; Moukam Kakmeni, F M

2018-02-01

In this paper, we report the propensity to excitability of the internal structure of cellular microtubules, modelled as a relatively large one-dimensional spatial array of electrical units with nonlinear resistive features. We propose a model mimicking the dynamics of a large set of such intracellular dynamical entities as an excitable medium. We show that the behavior of such lattices can be described by a complex Ginzburg-Landau equation, which admits several wave solutions, including the plane waves paradigm. A stability analysis of the plane waves solutions of our dynamical system is conducted both analytically and numerically. It is observed that perturbed plane waves will always evolve toward promoting the generation of localized periodic waves trains. These modes include both stationary and travelling spatial excitations. They encompass, on one hand, localized structures such as solitary waves embracing bright solitons, dark solitons, and bisolitonic impulses with head-on collisions phenomena, and on the other hand, the appearance of both spatially homogeneous and spatially inhomogeneous stationary patterns. This ability exhibited by our array of proteinic elements to display several states of excitability exposes their stunning biological and physical complexity and is of high relevance in the description of the developmental and informative processes occurring on the subcellular scale.

Exact exchange-correlation potentials of singlet two-electron systems

NASA Astrophysics Data System (ADS)

Ryabinkin, Ilya G.; Ospadov, Egor; Staroverov, Viktor N.

2017-10-01

We suggest a non-iterative analytic method for constructing the exchange-correlation potential, v XC ( r ) , of any singlet ground-state two-electron system. The method is based on a convenient formula for v XC ( r ) in terms of quantities determined only by the system's electronic wave function, exact or approximate, and is essentially different from the Kohn-Sham inversion technique. When applied to Gaussian-basis-set wave functions, the method yields finite-basis-set approximations to the corresponding basis-set-limit v XC ( r ) , whereas the Kohn-Sham inversion produces physically inappropriate (oscillatory and divergent) potentials. The effectiveness of the procedure is demonstrated by computing accurate exchange-correlation potentials of several two-electron systems (helium isoelectronic series, H2, H3 + ) using common ab initio methods and Gaussian basis sets.

System and method for optical fiber based image acquisition suitable for use in turbine engines

DOEpatents

Baleine, Erwan; A V, Varun; Zombo, Paul J.; Varghese, Zubin

2017-05-16

A system and a method for image acquisition suitable for use in a turbine engine are disclosed. Light received from a field of view in an object plane is projected onto an image plane through an optical modulation device and is transferred through an image conduit to a sensor array. The sensor array generates a set of sampled image signals in a sensing basis based on light received from the image conduit. Finally, the sampled image signals are transformed from the sensing basis to a representation basis and a set of estimated image signals are generated therefrom. The estimated image signals are used for reconstructing an image and/or a motion-video of a region of interest within a turbine engine.

Synthetic aperture tomographic phase microscopy for 3D imaging of live cells in translational motion

PubMed Central

Lue, Niyom; Choi, Wonshik; Popescu, Gabriel; Badizadegan, Kamran; Dasari, Ramachandra R.; Feld, Michael S.

2009-01-01

We present a technique for 3D imaging of live cells in translational motion without need of axial scanning of objective lens. A set of transmitted electric field images of cells at successive points of transverse translation is taken with a focused beam illumination. Based on Hyugens’ principle, angular plane waves are synthesized from E-field images of a focused beam. For a set of synthesized angular plane waves, we apply a filtered back-projection algorithm and obtain 3D maps of refractive index of live cells. This technique, which we refer to as synthetic aperture tomographic phase microscopy, can potentially be combined with flow cytometry or microfluidic devices, and will enable high throughput acquisition of quantitative refractive index data from large numbers of cells. PMID:18825263

Estimation of spin contamination error in dissociative adsorption of Au2 onto MgO(0 0 1) surface: First application of approximate spin projection (AP) method to plane wave basis

NASA Astrophysics Data System (ADS)

Tada, Kohei; Koga, Hiroaki; Okumura, Mitsutaka; Tanaka, Shingo

2018-06-01

Spin contamination error in the total energy of the Au2/MgO system was estimated using the density functional theory/plane-wave scheme and approximate spin projection methods. This is the first investigation in which the errors in chemical phenomena on a periodic surface are estimated. The spin contamination error of the system was 0.06 eV. This value is smaller than that of the dissociation of Au2 in the gas phase (0.10 eV). This is because of the destabilization of the singlet spin state due to the weakening of the Au-Au interaction caused by the Au-MgO interaction.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ulian, Gianfranco; Valdrè, Giovanni, E-mail: giovanni.valdre@unibo.it; 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, andmore » 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.« less

Modulated magnetic structure of ScFe 4Al 8 by X-ray, neutron powder diffraction and Mössbauer effect

NASA Astrophysics Data System (ADS)

Reċko, Katarzyna; Hauback, Bjørn C.; Dobrzy nski, Ludwik; Szymański, Krzysztof; Satula, Dariusz; Kotur, B. Yu.; Suski, Wojciech

2004-05-01

ScFe 4Al 8 alloy belongs to the extensively investigated ThMn 12-type family. The results of Mössbauer experiments are compared with the neutrons data. ScFe 4Al 8 alloy orders around 250 K by forming antiferromagnetic spiral iron sublattice, within the tetragonal basis plane ab and magnetic iron moments close to 1 μ B at 8 K. The spins are rotating in a plane parallel to the wave vector q=( qx, qx,0).

General contraction of Gaussian basis sets. II - Atomic natural orbitals and the calculation of atomic and molecular properties

NASA Technical Reports Server (NTRS)

Almlof, Jan; Taylor, Peter R.

1990-01-01

A recently proposed scheme for using natural orbitals from atomic configuration interaction wave functions as a basis set for linear combination of atomic orbitals (LCAO) calculations is extended for the calculation of molecular properties. For one-electron properties like multipole moments, which are determined largely by the outermost regions of the molecular wave function, it is necessary to increase the flexibility of the basis in these regions. This is most easily done by uncontracting the outermost Gaussian primitives, and/or by adding diffuse primitives. A similar approach can be employed for the calculation of polarizabilities. Properties which are not dominated by the long-range part of the wave function, such as spectroscopic constants or electric field gradients at the nucleus, can generally be treated satisfactorily with the original atomic natural orbital sets.

First evidence of non-locality in real band-gap metamaterials: determining parameters in the relaxed micromorphic model

PubMed Central

Barbagallo, Gabriele; d’Agostino, Marco Valerio; Placidi, Luca; Neff, Patrizio

2016-01-01

In this paper, we propose the first estimate of some elastic parameters of the relaxed micromorphic model on the basis of real experiments of transmission of longitudinal plane waves across an interface separating a classical Cauchy material (steel plate) and a phononic crystal (steel plate with fluid-filled holes). A procedure is set up in order to identify the parameters of the relaxed micromorphic model by superimposing the experimentally based profile of the reflection coefficient (plotted as function of the wave-frequency) with the analogous profile obtained via numerical simulations. We determine five out of six constitutive parameters which are featured by the relaxed micromorphic model in the isotropic case, plus the determination of the micro-inertia parameter. The sixth elastic parameter, namely the Cosserat couple modulus μc, still remains undetermined, since experiments on transverse incident waves are not yet available. A fundamental result of this paper is the estimate of the non-locality intrinsically associated with the underlying microstructure of the metamaterial. We show that the characteristic length Lc measuring the non-locality of the phononic crystal is of the order of 13 of the diameter of its fluid-filled holes. PMID:27436984

First evidence of non-locality in real band-gap metamaterials: determining parameters in the relaxed micromorphic model.

PubMed

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

2016-06-01

In this paper, we propose the first estimate of some elastic parameters of the relaxed micromorphic model on the basis of real experiments of transmission of longitudinal plane waves across an interface separating a classical Cauchy material (steel plate) and a phononic crystal (steel plate with fluid-filled holes). A procedure is set up in order to identify the parameters of the relaxed micromorphic model by superimposing the experimentally based profile of the reflection coefficient (plotted as function of the wave-frequency) with the analogous profile obtained via numerical simulations. We determine five out of six constitutive parameters which are featured by the relaxed micromorphic model in the isotropic case, plus the determination of the micro-inertia parameter. The sixth elastic parameter, namely the Cosserat couple modulus μ c , still remains undetermined, since experiments on transverse incident waves are not yet available. A fundamental result of this paper is the estimate of the non-locality intrinsically associated with the underlying microstructure of the metamaterial. We show that the characteristic length L c measuring the non-locality of the phononic crystal is of the order of [Formula: see text] of the diameter of its fluid-filled holes.

Periodic density functional theory investigation of the uranyl ion sorption on three mineral surfaces: a comparative study.

PubMed

Roques, Jérôme; Veilly, Edouard; Simoni, Eric

2009-06-04

Canister integrity and radionuclides retention is of prime importance for assessing the long term safety of nuclear waste stored in engineered geologic depositories. A comparative investigation of the interaction of uranyl ion with three different mineral surfaces has thus been undertaken in order to point out the influence of surface composition on the adsorption mechanism(s). Periodic DFT calculations using plane waves basis sets with the GGA formalism were performed on the TiO(2)(110), Al(OH)(3)(001) and Ni(111) surfaces. This study has clearly shown that three parameters play an important role in the uranyl adsorption mechanism: the solvent (H(2)O) distribution at the interface, the nature of the adsorption site and finally, the surface atoms' protonation state.

Periodic Density Functional Theory Investigation of the Uranyl Ion Sorption on Three Mineral Surfaces: A Comparative Study

PubMed Central

Roques, Jérôme; Veilly, Edouard; Simoni, Eric

2009-01-01

Canister integrity and radionuclides retention is of prime importance for assessing the long term safety of nuclear waste stored in engineered geologic depositories. A comparative investigation of the interaction of uranyl ion with three different mineral surfaces has thus been undertaken in order to point out the influence of surface composition on the adsorption mechanism(s). Periodic DFT calculations using plane waves basis sets with the GGA formalism were performed on the TiO2(110), Al(OH)3(001) and Ni(111) surfaces. This study has clearly shown that three parameters play an important role in the uranyl adsorption mechanism: the solvent (H2O) distribution at the interface, the nature of the adsorption site and finally, the surface atoms’ protonation state. PMID:19582222

A minimization method on the basis of embedding the feasible set and the epigraph

NASA Astrophysics Data System (ADS)

Zabotin, I. Ya; Shulgina, O. N.; Yarullin, R. S.

2016-11-01

We propose a conditional minimization method of the convex nonsmooth function which belongs to the class of cutting-plane methods. During constructing iteration points a feasible set and an epigraph of the objective function are approximated by the polyhedral sets. In this connection, auxiliary problems of constructing iteration points are linear programming problems. In optimization process there is some opportunity of updating sets which approximate the epigraph. These updates are performed by periodically dropping of cutting planes which form embedding sets. Convergence of the proposed method is proved, some realizations of the method are discussed.

Parallelization of the FLAPW method and comparison with the PPW method

NASA Astrophysics Data System (ADS)

Canning, Andrew; Mannstadt, Wolfgang; Freeman, Arthur

2000-03-01

The FLAPW (full-potential linearized-augmented plane-wave) method is one of the most accurate first-principles methods for determining electronic and magnetic properties of crystals and surfaces. In the past the FLAPW method has been limited to systems of about a hundred atoms due to the lack of an efficient parallel implementation to exploit the power and memory of parallel computers. In this work we present an efficient parallelization of the method by division among the processors of the plane-wave components for each state. The code is also optimized for RISC (reduced instruction set computer) architectures, such as those found on most parallel computers, making full use of BLAS (basic linear algebra subprograms) wherever possible. Scaling results are presented for systems of up to 686 silicon atoms and 343 palladium atoms per unit cell running on up to 512 processors on a Cray T3E parallel supercomputer. Some results will also be presented on a comparison of the plane-wave pseudopotential method and the FLAPW method on large systems.

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.

Development of lithotripter technology

NASA Astrophysics Data System (ADS)

Eisenmenger, Wolfgang F. W.

2003-10-01

``Squeezing'' of the stone or cirumferential pressure of the wave propagating at the outside of the stone in the liquid or tissue results in fragmentation in planes perpendicular or parallel to the wave propagation direction. The corresponding pressure zone propagating with the sound velocity in the liquid which is below the sound velocity in the stone, causes an evanescent pressure zone in the stone resulting in tensile stress in planes parallel and perpendicular to the wave plane. A quantitative model predicting the ratio of pulses needed to fragment the stone to 2 mm particle size in relation to the number of pressure pulses needed for the first fragmentation is well in accord with experiments, supporting the ``squeezing mechanism with binary fragmentation.'' On the basis of these results it now appears possible to optimize the pressure pulse parameters measured using the Fiber Optic Probe Hydrophone (FOPH). With correspondingly optimized self-focusing electromagnetic shock wave generator systems a clinical study of the concept ``wide focus and low pressure'' ESWL was performed in a scientific cooperation between the 1. Physical Institute of the University of Stuttgart and the Xixin Medical Instruments Co., Ltd. in Suzhou, China. Literature: W. Eisenmenger, ``The mechanisms of stone fragmentation in ESWL,'' Ultrasound Med. Biol. 27, 683-693 (2001); W. Eisenmenger et al., ``The first clinical results of `wide focus and low pressure' ESWL,'' Ultrasound Med. Biol. 28, 769-774 (2002).

General contraction of Gaussian basis sets. Part 2: Atomic natural orbitals and the calculation of atomic and molecular properties

NASA Technical Reports Server (NTRS)

Almloef, Jan; Taylor, Peter R.

1989-01-01

A recently proposed scheme for using natural orbitals from atomic configuration interaction (CI) wave functions as a basis set for linear combination of atomic orbitals (LCAO) calculations is extended for the calculation of molecular properties. For one-electron properties like multipole moments, which are determined largely by the outermost regions of the molecular wave function, it is necessary to increase the flexibility of the basis in these regions. This is most easily done by uncontracting the outmost Gaussian primitives, and/or by adding diffuse primitives. A similar approach can be employed for the calculation of polarizabilities. Properties which are not dominated by the long-range part of the wave function, such as spectroscopic constants or electric field gradients at the nucleus, can generally be treated satisfactorily with the original atomic natural orbital (ANO) sets.

The Atomic Origin of the Reflection Law

ERIC Educational Resources Information Center

Prytz, Kjell

2016-01-01

It will be demonstrated how the reflection law may be derived on an atomic basis using the plane wave approximation together with Huygens' principle. The model utilized is based on the electric dipole character of matter originating from its molecular constituents. This approach is not new but has, since it was first introduced by Ewald and Oseen…

Conditions and phase shift of fluid resonance in narrow gaps of bottom mounted caissons

NASA Astrophysics Data System (ADS)

Zhu, Da-tong; Wang, Xing-gang; Liu, Qing-jun

2017-12-01

This paper studies the viscid and inviscid fluid resonance in gaps of bottom mounted caissons on the basis of the plane wave hypothesis and full wave model. The theoretical analysis and the numerical results demonstrate that the condition for the appearance of fluid resonance in narrow gaps is kh=(2 n+1)π ( n=0, 1, 2, 3, …), rather than kh= nπ ( n=0, 1, 2, 3, …); the transmission peaks in viscid fluid are related to the resonance peaks in the gaps. k and h stand for the wave number and the gap length. The combination of the plane wave hypothesis or the full wave model with the local viscosity model can accurately determine the heights and the locations of the resonance peaks. The upper bound for the appearance of fluid resonance in gaps is 2 b/ L<1 (2 b, grating constant; L, wave length) and the lower bound is h/ b≤1. The main reason for the phase shift of the resonance peaks is the inductive factors. The number of resonance peaks in the spectrum curve is dependent on the ratio of the gap length to the grating constant. The heights and the positions of the resonance peaks predicted by the present models agree well with the experimental data.

Localized basis sets for unbound electrons in nanoelectronics.

PubMed

Soriano, D; Jacob, D; Palacios, J J

2008-02-21

It is shown how unbound electron wave functions can be expanded in a suitably chosen localized basis sets for any desired range of energies. In particular, we focus on the use of Gaussian basis sets, commonly used in first-principles codes. The possible usefulness of these basis sets in a first-principles description of field emission or scanning tunneling microscopy at large bias is illustrated by studying a simpler related phenomenon: The lifetime of an electron in a H atom subjected to a strong electric field.

Acoustic backscattering and radiation force on a rigid elliptical cylinder in plane progressive waves.

PubMed

Mitri, F G

2016-03-01

This work proposes a formal analytical theory using the partial-wave series expansion (PWSE) method in cylindrical coordinates, to calculate the acoustic backscattering form function as well as the radiation force-per-length on an infinitely long elliptical (non-circular) cylinder in plane progressive waves. The major (or minor) semi-axis of the ellipse coincides with the direction of the incident waves. The scattering coefficients for the rigid elliptical cylinder are determined by imposing the Neumann boundary condition for an immovable surface and solving a resulting system of linear equations by matrix inversion. The present method, which utilizes standard cylindrical (Bessel and Hankel) wave functions, presents an advantage over the solution for the scattering that is ordinarily expressed in a basis of elliptical Mathieu functions (which are generally non-orthogonal). Furthermore, an integral equation showing the direct connection of the radiation force function with the square of the scattering form function in the far-field from the scatterer (applicable for plane waves only), is noted and discussed. An important application of this integral equation is the adequate evaluation of the radiation force function from a bistatic measurement (i.e., in the polar plane) of the far-field scattering from any 2D object of arbitrary shape. Numerical predictions are evaluated for the acoustic backscattering form function and the radiation force function, which is the radiation force per unit length, per characteristic energy density, and per unit cross-sectional surface of the ellipse, with particular emphasis on the aspect ratio a/b, where a and b are the semi-axes, as well as the dimensionless size parameter kb, without the restriction to a particular range of frequencies. The results are particularly relevant in acoustic levitation, acousto-fluidics and particle dynamics applications. Copyright © 2015 Elsevier B.V. All rights reserved.

Reciprocity principle in duct acoustics

NASA Technical Reports Server (NTRS)

Cho, Y.-C.

1979-01-01

Various reciprocity relations in duct acoustics have been derived on the basis of the spatial reciprocity principle implied in Green's functions for linear waves. The derivation includes the reciprocity relations between mode conversion coefficients for reflection and transmission in nonuniform ducts, and the relation between the radiation of a mode from an arbitrarily terminated duct and the absorption of an externally incident plane wave by the duct. Such relations are well defined as long as the systems remain linear, regardless of acoustic properties of duct nonuniformities which cause the mode conversions.

Second-order numerical solution of time-dependent, first-order hyperbolic equations

NASA Technical Reports Server (NTRS)

Shah, Patricia L.; Hardin, Jay

1995-01-01

A finite difference scheme is developed to find an approximate solution of two similar hyperbolic equations, namely a first-order plane wave and spherical wave problem. Finite difference approximations are made for both the space and time derivatives. The result is a conditionally stable equation yielding an exact solution when the Courant number is set to one.

Three Dimensional Sheaf of Ultrasound Planes Reconstruction (SOUPR) of Ablated Volumes

PubMed Central

Ingle, Atul; Varghese, Tomy

2014-01-01

This paper presents an algorithm for three dimensional reconstruction of tumor ablations using ultrasound shear wave imaging with electrode vibration elastography. Radiofrequency ultrasound data frames are acquired over imaging planes that form a subset of a sheaf of planes sharing a common axis of intersection. Shear wave velocity is estimated separately on each imaging plane using a piecewise linear function fitting technique with a fast optimization routine. An interpolation algorithm then computes velocity maps on a fine grid over a set of C-planes that are perpendicular to the axis of the sheaf. A full three dimensional rendering of the ablation can then be created from this stack of C-planes; hence the name “Sheaf Of Ultrasound Planes Reconstruction” or SOUPR. The algorithm is evaluated through numerical simulations and also using data acquired from a tissue mimicking phantom. Reconstruction quality is gauged using contrast and contrast-to-noise ratio measurements and changes in quality from using increasing number of planes in the sheaf are quantified. The highest contrast of 5 dB is seen between the stiffest and softest regions of the phantom. Under certain idealizing assumptions on the true shape of the ablation, good reconstruction quality while maintaining fast processing rate can be obtained with as few as 6 imaging planes suggesting that the method is suited for parsimonious data acquisitions with very few sparsely chosen imaging planes. PMID:24808405

Three-dimensional sheaf of ultrasound planes reconstruction (SOUPR) of ablated volumes.

PubMed

Ingle, Atul; Varghese, Tomy

2014-08-01

This paper presents an algorithm for 3-D reconstruction of tumor ablations using ultrasound shear wave imaging with electrode vibration elastography. Radio-frequency ultrasound data frames are acquired over imaging planes that form a subset of a sheaf of planes sharing a common axis of intersection. Shear wave velocity is estimated separately on each imaging plane using a piecewise linear function fitting technique with a fast optimization routine. An interpolation algorithm then computes velocity maps on a fine grid over a set of C-planes that are perpendicular to the axis of the sheaf. A full 3-D rendering of the ablation can then be created from this stack of C-planes; hence the name "Sheaf Of Ultrasound Planes Reconstruction" or SOUPR. The algorithm is evaluated through numerical simulations and also using data acquired from a tissue mimicking phantom. Reconstruction quality is gauged using contrast and contrast-to-noise ratio measurements and changes in quality from using increasing number of planes in the sheaf are quantified. The highest contrast of 5 dB is seen between the stiffest and softest regions of the phantom. Under certain idealizing assumptions on the true shape of the ablation, good reconstruction quality while maintaining fast processing rate can be obtained with as few as six imaging planes suggesting that the method is suited for parsimonious data acquisitions with very few sparsely chosen imaging planes.

Internal inertia-gravity waves in the tropical lower stratosphere observed by the Arecibo radar

NASA Technical Reports Server (NTRS)

Maekawa, Y.; Kato, S.; Fukao, S.; Sato, T.; Woodman, R. F.

1984-01-01

A quasi-periodic wind oscillation with an apparent 20-50 hour period was observed at between 16 and 20 km in every experiment conducted during three periods from 1979 to 1981 with the Arecibo UHF radar. The wave disappeared near 20 km, where the mean zonal flow had easterly shear with height. This phenomenon is discussed in terms of wave absorption at a critical level, and it is suggested that the wave had a westward horizontal phase speed of 10-20 m/sec. On the basis of a relationship from f-plane theory in which the Doppler-shifted wave frequency approaches the Coriolis frequency at the critical level, an intrinsic period and horizontal wavelength at the wave-generated height of 20-30 hours and about 2000 km, respectively, are inferred.

Application of wavefield compressive sensing in surface wave tomography

NASA Astrophysics Data System (ADS)

Zhan, Zhongwen; Li, Qingyang; Huang, Jianping

2018-06-01

Dense arrays allow sampling of seismic wavefield without significant aliasing, and surface wave tomography has benefitted from exploiting wavefield coherence among neighbouring stations. However, explicit or implicit assumptions about wavefield, irregular station spacing and noise still limit the applicability and resolution of current surface wave methods. Here, we propose to apply the theory of compressive sensing (CS) to seek a sparse representation of the surface wavefield using a plane-wave basis. Then we reconstruct the continuous surface wavefield on a dense regular grid before applying any tomographic methods. Synthetic tests demonstrate that wavefield CS improves robustness and resolution of Helmholtz tomography and wavefield gradiometry, especially when traditional approaches have difficulties due to sub-Nyquist sampling or complexities in wavefield.

Solid-State 87Sr NMR Spectroscopy at Natural Abundance and High Magnetic Field Strength.

PubMed

Faucher, Alexandra; Terskikh, Victor V; Ye, Eric; Bernard, Guy M; Wasylishen, Roderick E

2015-12-10

Twenty-five strontium-containing solids were characterized via (87)Sr NMR spectroscopy at natural abundance and high magnetic field strength (B0 = 21.14 T). Strontium nuclear quadrupole coupling constants in these compounds are sensitive to the strontium site symmetry and range from 0 to 50.5 MHz. An experimental (87)Sr chemical shift scale is proposed, and available data indicate a chemical shift range of approximately 550 ppm, from -200 to +350 ppm relative to Sr(2+)(aq). In general, magnetic shielding increased with strontium coordination number. Experimentally measured chemical shift anisotropy is reported for stationary samples of solid powdered SrCl2·6H2O, SrBr2·6H2O, and SrCO3, with δaniso((87)Sr) values of +28, +26, and -65 ppm, respectively. NMR parameters were calculated using CASTEP, a gauge including projector augmented wave (GIPAW) DFT-based program, which addresses the periodic nature of solids using plane-wave basis sets. Calculated NMR parameters are in good agreement with those measured.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Kuang; Libisch, Florian; Carter, Emily A., E-mail: eac@princeton.edu

We report a new implementation of the density functional embedding theory (DFET) in the VASP code, using the projector-augmented-wave (PAW) formalism. Newly developed algorithms allow us to efficiently perform optimized effective potential optimizations within PAW. The new algorithm generates robust and physically correct embedding potentials, as we verified using several test systems including a covalently bound molecule, a metal surface, and bulk semiconductors. We show that with the resulting embedding potential, embedded cluster models can reproduce the electronic structure of point defects in bulk semiconductors, thereby demonstrating the validity of DFET in semiconductors for the first time. Compared to ourmore » previous version, the new implementation of DFET within VASP affords use of all features of VASP (e.g., a systematic PAW library, a wide selection of functionals, a more flexible choice of U correction formalisms, and faster computational speed) with DFET. Furthermore, our results are fairly robust with respect to both plane-wave and Gaussian type orbital basis sets in the embedded cluster calculations. This suggests that the density functional embedding method is potentially an accurate and efficient way to study properties of isolated defects in semiconductors.« less

Plane Evanescent Waves and Interface Waves

NASA Astrophysics Data System (ADS)

Luppé, F.; Conoir, J. M.; El Kettani, M. Ech-Cherif; Lenoir, O.; Izbicki, J. L.; Duclos, J.; Poirée, B.

The evanescent plane wave formalism is used to obtain the characteristic equation of the normal vibration modes of a plane elastic solid embedded in a perfect fluid. Simple drawings of the real and imaginary parts of complex wave vectors make quite clear the choice of the Riemann sheets on which the roots of the characteristic equation are to be looked for. The generalized Rayleigh wave and the Scholte - Stoneley wave are then described. The same formalism is used to describe Lamb waves on an elastic plane plate immersed in water. The damping, due to energy leaking in the fluid, is shown to be directly given by the projection of evanescence vectors on the interface. Measured values of the damping coefficient are in good agreement with those derived from calculations. The width of the angular resonances associated to Lamb waves or Rayleigh waves is also directly related to this same evanescence vectors projection, as well as the excitation coefficient of a given Lamb wave excited by a plane incident wave. This study shows clearly the strong correlation between the resonance point of view and the wave one in plane interface problems.

Water confined in carbon nanotubes: Magnetic response and proton chemical shieldings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, P; Schwegler, E; Galli, G

2008-11-14

We study the proton nuclear magnetic resonance ({sup 1}H-NMR) of a model system consisting of liquid water in infinite carbon nanotubes (CNT). Chemical shieldings are evaluated from linear response theory, where the electronic structure is derived from density functional theory (DFT) with plane-wave basis sets and periodic boundary conditions. The shieldings are sampled from trajectories generated via first-principles molecular dynamics simulations at ambient conditions, for water confined in (14,0) and (19,0) CNTs with diameters d = 11 {angstrom} and 14.9 {angstrom}, respectively. We find that confinement within the CNT leads to a large ({approx} -23 ppm) upfield shift relative tomore » bulk liquid water. This shift is a consequence of strongly anisotropic magnetic fields induced in the CNT by an applied magnetic field.« less

Volkov basis for simulation of interaction of strong laser pulses and solids

NASA Astrophysics Data System (ADS)

Kidd, Daniel; Covington, Cody; Li, Yonghui; Varga, Kálmán

2018-01-01

An efficient and accurate basis comprised of Volkov states is implemented and tested for time-dependent simulations of interactions between strong laser pulses and crystalline solids. The Volkov states are eigenstates of the free electron Hamiltonian in an electromagnetic field and analytically represent the rapidly oscillating time-dependence of the orbitals, allowing significantly faster time propagation than conventional approaches. The Volkov approach can be readily implemented in plane-wave codes by multiplying the potential energy matrix elements with a simple time-dependent phase factor.

A simplified method of evaluating the stress wave environment of internal equipment

NASA Technical Reports Server (NTRS)

Colton, J. D.; Desmond, T. P.

1979-01-01

A simplified method called the transfer function technique (TFT) was devised for evaluating the stress wave environment in a structure containing internal equipment. The TFT consists of following the initial in-plane stress wave that propagates through a structure subjected to a dynamic load and characterizing how the wave is altered as it is transmitted through intersections of structural members. As a basis for evaluating the TFT, impact experiments and detailed stress wave analyses were performed for structures with two or three, or more members. Transfer functions that relate the wave transmitted through an intersection to the incident wave were deduced from the predicted wave response. By sequentially applying these transfer functions to a structure with several intersections, it was found that the environment produced by the initial stress wave propagating through the structure can be approximated well. The TFT can be used as a design tool or as an analytical tool to determine whether a more detailed wave analysis is warranted.

Nonlinear propagation of electromagnetic waves in negative-refraction-index composite materials.

PubMed

Kourakis, I; Shukla, P K

2005-07-01

We investigate the nonlinear propagation of electromagnetic waves in left-handed materials. For this purpose, we consider a set of coupled nonlinear Schrödinger (CNLS) equations, which govern the dynamics of coupled electric and magnetic field envelopes. The CNLS equations are used to obtain a nonlinear dispersion, which depicts the modulational stability profile of the coupled plane-wave solutions in left-handed materials. An exact (in)stability criterion for modulational interactions is derived, and analytical expressions for the instability growth rate are obtained.

Tailoring of the partial magnonic gap in three-dimensional magnetoferritin-based magnonic crystals

NASA Astrophysics Data System (ADS)

Mamica, S.

2013-07-01

We investigate theoretically the use of magnetoferritin nanoparticles, self-assembled in the protein crystallization process, as the basis for the realization of 3D magnonic crystals in which the interparticle space is filled with a ferromagnetic material. Using the plane wave method we study the dependence of the width of the partial band gap and its central frequency on the total magnetic moment of the magnetoferritin core and the lattice constant of the magnetoferritin crystal. We show that by adjusting the combination of these two parameters the partial gap can be tailored in a wide frequency range and shifted to sub-terahertz frequencies. Moreover, the difference in the width of the partial gap for spin waves propagating in planes parallel and perpendicular to the external field allows for switching on and off the partial magnonic gap by changing the direction of the applied field.

Determination of lamb wave dispersion data in lossy anisotropic plates using time domain finite element analysis. Part I: theory and experimental verification.

PubMed

Hayward, Gordon; Hyslop, Jamie

2006-02-01

A theoretical and experimental approach for extraction of guided wave dispersion data in plate structures is described. Finite element modeling is used to calculate the surface displacement data (in-plane and out-of-plane) when the plate is subject to either symmetrical or antisymmetrical impulsive force stimulation at one or both of the parallel faces. Fourier transformation of the resultant space-time displacement histories is then employed to obtain phase velocity as a function of frequency. Experimental verification in the case of antisymmetrical stimulation is provided by means of a high-power Q-switched laser source that is used to excite guided waves in the plate. The subsequent out-of-plane displacement data were then obtained by means of a scanning laser vibrometer, and good agreement between theory and experiment is demonstrated. Examples of dispersion data are provided for aluminum, and excellent correlation between the data sets and conventional Rayleigh-Lamb theory for plate structures was obtained. This was then extended to lossy polymeric plates, in addition to both unpolarized and polarized piezoelectric ceramic plates, again with good agreement between the finite element modeling and optical experiments. The last set of results prepares the way for a detailed investigation of the nonhomogeneous piezoelectric composite waveguides described in a companion paper (Part II).

Resonant triad in boundary-layer stability. Part 1: Fully nonlinear interaction

NASA Technical Reports Server (NTRS)

Mankbadi, Reda R.

1991-01-01

A first principles theory is developed to study the nonlinear spatial evolution of a near-resonance triad of instability waves in boundary layer transition. This triad consists of a plane wave at fundamental frequency and a pair of symmetrical, oblique waves at the subharmonic frequency. A low frequency, high Reynolds number asymptotic scaling leads to a distinct critical layer where nonlinearity first becomes important; the development of the triad's waves is determined by the critical layer's nonlinear, viscous dynamics. The resulting theory is fully nonlinear in that all nonlinearly generated oscillatory and nonoscillatory components are accounted for. The presence of the plane wave initially causes exponential of exponential growth of the oblique waves. However, the plane wave continues to follow the linear theory, even when the oblique waves' amplitude attains the same order of magnitude as that of the plane wave. A fully interactive stage then comes into effect when the oblique waves exceed a certain level compared to that of the plane wave. The oblique waves react back on the fundamental, slowing its growth rate. The oblique waves' saturation results from their self-interaction - a mechanism that does not require the presence of the plane wave. The oblique waves' saturation level is independent of their initial level, but decreases as the obliqueness angle increases.

Ab initio molecular dynamics simulation of LiBr association in water

NASA Astrophysics Data System (ADS)

Izvekov, Sergei; Philpott, Michael R.

2000-12-01

A computationally economical scheme which unifies the density functional description of an ionic solute and the classical description of a solvent was developed. The density functional part of the scheme comprises Car-Parrinello and related formalisms. The substantial saving in the computer time is achieved by performing the ab initio molecular dynamics of the solute electronic structure in a relatively small basis set constructed from lowest energy Kohn-Sham orbitals calculated for a single anion in vacuum, instead of using plane wave basis. The methodology permits simulation of an ionic solution for longer time scales while keeping accuracy in the prediction of the solute electronic structure. As an example the association of the Li+-Br- ion-pair system in water is studied. The results of the combined molecular dynamics simulation are compared with that obtained from the classical simulation with ion-ion interaction described by the pair potential of Born-Huggins-Mayer type. The comparison reveals an important role played by the polarization of the Br- ion in the dynamics of ion pair association.

Goedel, Penrose, anti-Mach: Extra supersymmetries of time-dependent plane waves

NASA Astrophysics Data System (ADS)

Blau, Matthias; Meessen, Patrick; O'Loughlin, Martin

2003-09-01

We prove that M-theory plane waves with extra supersymmetries are necessarily homogeneous (but possibly time-dependent), and we show by explicit construction that such time-dependent plane waves can admit extra supersymmetries. To that end we study the Penrose limits of Gödel-like metrics, show that the Penrose limit of the M-theory Gödel metric (with 20 supercharges) is generically a time-dependent homogeneous plane wave of the anti-Mach type, and display the four extra Killings spinors in that case. We conclude with some general remarks on the Killing spinor equations for homogeneous plane waves.

Topological superconductivity and the fractional Josephson effect in quasi-one dimensional wires on a plane

NASA Astrophysics Data System (ADS)

Nakhmedov, E.; Mammadova, S.; Alekperov, O.

2016-01-01

A time-reversal invariant topological superconductivity is suggested to be realized in a quasi-one-dimensional structure on a plane, which is fabricated by filling the superconducting materials into the periodic channel of dielectric matrices like zeolite and asbestos under high pressure. The topological superconducting phase sets up in the presence of large spin-orbit interactions when intra-wire s-wave and inter-wire d-wave pairings take place. Kramers pairs of Majorana bound states emerge at the edges of each wire. We analyze effects of the Zeeman magnetic field on Majorana zero-energy states. In-plane magnetic field was shown to make asymmetric the energy dispersion, nevertheless Majorana fermions survive due to protection of a particle-hole symmetry. Tunneling of Majorana quasiparticle from the end of one wire to the nearest-neighboring one yields edge fractional Josephson current with 4π-periodicity.

Compact representations of partially coherent undulator radiation suitable for wave propagation

DOE PAGES

Lindberg, Ryan R.; Kim, Kwang -Je

2015-09-28

Undulator radiation is partially coherent in the transverse plane, with the degree of coherence depending on the ratio of the electron beam phase space area (emittance) to the characteristic radiation wavelength λ. Numerical codes used to predict x-ray beam line performance can typically only propagate coherent fields from the source to the image plane. We investigate methods for representing partially coherent undulator radiation using a suitably chosen set of coherent fields that can be used in standard wave propagation codes, and discuss such “coherent mode expansions” for arbitrary degrees of coherence. In the limit when the electron beam emittance alongmore » at least one direction is much larger than λ the coherent modes are orthogonal and therefore compact; when the emittance approaches λ in both planes we discuss an economical method of defining the relevant coherent fields that samples the electron beam phase space using low-discrepancy sequences.« less

Method and basis set dependence of anharmonic ground state nuclear wave functions and zero-point energies: application to SSSH.

PubMed

Kolmann, Stephen J; Jordan, Meredith J T

2010-02-07

One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol(-1) at the CCSD(T)/6-31G* level of theory, has a 4 kJ mol(-1) dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol(-1) lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol(-1) lower in energy at the CCSD(T)/6-31G* level of theory. Ideally, for sub-kJ mol(-1) thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.

Method and basis set dependence of anharmonic ground state nuclear wave functions and zero-point energies: Application to SSSH

NASA Astrophysics Data System (ADS)

Kolmann, Stephen J.; Jordan, Meredith J. T.

2010-02-01

One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol-1 at the CCSD(T)/6-31G∗ level of theory, has a 4 kJ mol-1 dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol-1 lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol-1 lower in energy at the CCSD(T)/6-31G∗ level of theory. Ideally, for sub-kJ mol-1 thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.

Angular coherence in ultrasound imaging: Theory and applications

PubMed Central

Li, You Leo; Dahl, Jeremy J.

2017-01-01

The popularity of plane-wave transmits at multiple transmit angles for synthetic transmit aperture (or coherent compounding) has spawned a number of adaptations and new developments of ultrasonic imaging. However, the coherence properties of backscattered signals with plane-wave transmits at different angles are unknown and may impact a subset of these techniques. To provide a framework for the analysis of the coherence properties of such signals, this article introduces the angular coherence theory in medical ultrasound imaging. The theory indicates that the correlation function of such signals forms a Fourier transform pair with autocorrelation function of the receive aperture function. This conclusion can be considered as an extended form of the van Cittert Zernike theorem. The theory is validated with simulation and experimental results obtained on speckle targets. On the basis of the angular coherence of the backscattered wave, a new short-lag angular coherence beamformer is proposed and compared with an existing spatial-coherence-based beamformer. An application of the theory in phase shift estimation and speed of sound estimation is also presented. PMID:28372139

Relationship between strong-motion array parameters and the accuracy of source inversion and physical waves

USGS Publications Warehouse

Iida, M.; Miyatake, T.; Shimazaki, K.

1990-01-01

We develop general rules for a strong-motion array layout on the basis of our method of applying a prediction analysis to a source inversion scheme. A systematic analysis is done to obtain a relationship between fault-array parameters and the accuracy of a source inversion. Our study of the effects of various physical waves indicates that surface waves at distant stations contribute significantly to the inversion accuracy for the inclined fault plane, whereas only far-field body waves at both small and large distances contribute to the inversion accuracy for the vertical fault, which produces more phase interference. These observations imply the adequacy of the half-space approximation used throughout our present study and suggest rules for actual array designs. -from Authors

Two types of nonlinear wave equations for diffractive beams in bubbly liquids with nonuniform bubble number density.

PubMed

Kanagawa, Tetsuya

2015-05-01

This paper theoretically treats the weakly nonlinear propagation of diffracted sound beams in nonuniform bubbly liquids. The spatial distribution of the number density of the bubbles, initially in a quiescent state, is assumed to be a slowly varying function of the spatial coordinates; the amplitude of variation is assumed to be small compared to the mean number density. A previous derivation method of nonlinear wave equations for plane progressive waves in uniform bubbly liquids [Kanagawa, Yano, Watanabe, and Fujikawa (2010). J. Fluid Sci. Technol. 5(3), 351-369] is extended to handle quasi-plane beams in weakly nonuniform bubbly liquids. The diffraction effect is incorporated by adding a relation that scales the circular sound source diameter to the wavelength into the original set of scaling relations composed of nondimensional physical parameters. A set of basic equations for bubbly flows is composed of the averaged equations of mass and momentum, the Keller equation for bubble wall, and supplementary equations. As a result, two types of evolution equations, a nonlinear Schrödinger equation including dissipation, diffraction, and nonuniform effects for high-frequency short-wavelength case, and a Khokhlov-Zabolotskaya-Kuznetsov equation including dispersion and nonuniform effects for low-frequency long-wavelength case, are derived from the basic set.

SWAYING THREADS OF A SOLAR FILAMENT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Y.; Engvold, O.; Langangen, Oe.

From recent high-resolution observations obtained with the Swedish 1 m Solar Telescope in La Palma, we detect swaying motions of individual filament threads in the plane of the sky. The oscillatory characters of these motions are comparable with oscillatory Doppler signals obtained from corresponding filament threads. Simultaneous recordings of motions in the line of sight and in the plane of the sky give information about the orientation of the oscillatory plane. These oscillations are interpreted in the context of the magnetohydrodynamic (MHD) theory. Kink MHD waves supported by the thread body are proposed as an explanation of the observed threadmore » oscillations. On the basis of this interpretation and by means of seismological arguments, we give an estimation of the thread Alfven speed and magnetic field strength by means of seismological arguments.« less

Measurement of Shear Elastic Moduli in Quasi-Incompressible Soft Solids

NASA Astrophysics Data System (ADS)

Rénier, Mathieu; Gennisson, Jean-Luc; Barrière, Christophe; Catheline, Stefan; Tanter, Mickaël; Royer, Daniel; Fink, Mathias

2008-06-01

Recently a nonlinear equation describing the plane shear wave propagation in isotropic quasi-incompressible media has been developed using a new expression of the strain energy density, as a function of the second, third and fourth order shear elastic constants (respectively μ, A, D) [1]. In such a case, the shear nonlinearity parameter βs depends only from these last coefficients. To date, no measurement of the parameter D have been carried out in soft solids. Using a set of two experiments, acoustoelasticity and finite amplitude shear waves, the shear elastic moduli up to the fourth order of soft solids are measured. Firstly, this theoretical background is applied to the acoustoelasticity theory, giving the variations of the shear wave speed as a function of the stress applied to the medium. From such variations, both linear (μ) and third order shear modulus (A) are deduced in agar-gelatin phantoms. Experimentally the radiation force induced by a focused ultrasound beam is used to generate quasi-plane linear shear waves within the medium. Then the shear wave propagation is imaged with an ultrafast ultrasound scanner. Secondly, in order to give rise to finite amplitude plane shear waves, the radiation force generation technique is replaced by a vibrating plate applied at the surface of the phantoms. The propagation is also imaged using the same ultrafast scanner. From the assessment of the third harmonic amplitude, the nonlinearity parameter βS is deduced. Finally, combining these results with the acoustoelasticity experiment, the fourth order modulus (D) is deduced. This set of experiments provides the characterization, up to the fourth order, of the nonlinear shear elastic moduli in quasi-incompressible soft media. Measurements of the A moduli reveal that while the behaviors of both soft solids are close from a linear point of view, the corresponding nonlinear moduli A are quite different. In a 5% agar-gelatin phantom, the fourth order elastic constant D is found to be 30±10 kPa.

Topologically protected edge states for out-of-plane and in-plane bulk elastic waves.

PubMed

Huo, Shao-Yong; Chen, Jiu-Jiu; Huang, Hong-Bo

2018-04-11

Topological phononic insulators (TPnIs) show promise for application in the manipulation of acoustic waves for the design of low-loss transmission and perfectly integrated communication devices. Since solid phononic crystals exist as a transverse polarization mode and a mixed longitudinal-transverse polarization mode, the realization of topological edge states for both out-of-plane and in-plane bulk elastic waves is desirable to enhance the controllability of the edge waves in solid systems. In this paper, a two-dimensional (2D) solid/solid hexagonal-latticed phononic system that simultaneously supports the topologically protected edge states for out-of-plane and in-plane bulk elastic waves is investigated. Firstly, two pairs of two-fold Dirac cones, respectively corresponding to the out-of-plane and in-plane waves, are obtained at the same frequency by tuning the crystal parameters. Then, a strategy of zone folding is invoked to form double Dirac cones. By shrinking and expanding the steel scatterer, the lattice symmetry is broken, and band inversions induced, giving rise to an intriguing topological phase transition. Finally, the topologically protected edge states for both out-of-plane and in-plane bulk elastic waves, which can be simultaneously located at the frequency range from 1.223 to 1.251 MHz, are numerically observed. Robust pseudospin-dependent elastic edge wave propagation along arbitrary paths is further demonstrated. Our results will significantly broaden its practical application in the engineering field.

Topologically protected edge states for out-of-plane and in-plane bulk elastic waves

NASA Astrophysics Data System (ADS)

Huo, Shao-Yong; Chen, Jiu-Jiu; Huang, Hong-Bo

2018-04-01

Topological phononic insulators (TPnIs) show promise for application in the manipulation of acoustic waves for the design of low-loss transmission and perfectly integrated communication devices. Since solid phononic crystals exist as a transverse polarization mode and a mixed longitudinal-transverse polarization mode, the realization of topological edge states for both out-of-plane and in-plane bulk elastic waves is desirable to enhance the controllability of the edge waves in solid systems. In this paper, a two-dimensional (2D) solid/solid hexagonal-latticed phononic system that simultaneously supports the topologically protected edge states for out-of-plane and in-plane bulk elastic waves is investigated. Firstly, two pairs of two-fold Dirac cones, respectively corresponding to the out-of-plane and in-plane waves, are obtained at the same frequency by tuning the crystal parameters. Then, a strategy of zone folding is invoked to form double Dirac cones. By shrinking and expanding the steel scatterer, the lattice symmetry is broken, and band inversions induced, giving rise to an intriguing topological phase transition. Finally, the topologically protected edge states for both out-of-plane and in-plane bulk elastic waves, which can be simultaneously located at the frequency range from 1.223 to 1.251 MHz, are numerically observed. Robust pseudospin-dependent elastic edge wave propagation along arbitrary paths is further demonstrated. Our results will significantly broaden its practical application in the engineering field.

Ab initio atomic recombination reaction energetics on model heat shield surfaces

NASA Technical Reports Server (NTRS)

Senese, Fredrick; Ake, Robert

1992-01-01

Ab initio quantum mechanical calculations on small hydration complexes involving the nitrate anion are reported. The self-consistent field method with accurate basis sets has been applied to compute completely optimized equilibrium geometries, vibrational frequencies, thermochemical parameters, and stable site labilities of complexes involving 1, 2, and 3 waters. The most stable geometries in the first hydration shell involve in-plane waters bridging pairs of nitrate oxygens with two equal and bent hydrogen bonds. A second extremely labile local minimum involves out-of-plane waters with a single hydrogen bond and lies about 2 kcal/mol higher. The potential in the region of the second minimum is extremely flat and qualitatively sensitive to changes in the basis set; it does not correspond to a true equilibrium structure.

Scattering of three-dimensional plane waves in a self-reinforced half-space lying over a triclinic half-space

NASA Astrophysics Data System (ADS)

Gupta, Shishir; Pramanik, Abhijit; Smita; Pramanik, Snehamoy

2018-06-01

The phenomenon of plane waves at the intersecting plane of a triclinic half-space and a self-reinforced half-space is discussed with possible applications during wave propagation. Analytical expressions of the phase velocities of reflection and refraction for quasi-compressional and quasi-shear waves under initial stress are discussed carefully. The closest form of amplitude proportions on reflection and refraction factors of three quasi-plane waves are developed mathematically by applying appropriate boundary conditions. Graphics are sketched to exhibit the consequences of initial stress in the three-dimensional plane wave on reflection and refraction coefficients. Some special cases that coincide with the fundamental properties of several layers are designed to express the reflection and refraction coefficients.

Ultrafast dynamic response of single crystal β-HMX

NASA Astrophysics Data System (ADS)

Zaug, Joseph M.; Armstrong, Michael R.; Crowhurst, Jonathan C.; Radousky, Harry B.; Ferranti, Louis; Swan, Raymond; Gross, Rick; Teslich, Nick E.; Wall, Mark A.; Austin, Ryan A.; Fried, Laurence E.

2017-01-01

We report results from ultrafast compression experiments conducted on β-HMX single crystals. Results consist of nominally 12 picosecond time-resolved wave profile data, (ultrafast time domain interferometry -TDI measurements), that were analyzed to determine high-velocity wave speeds as a function of piston velocity. TDI results are used to validate calculations of anisotropic stress-strain behavior of shocked loaded energetic materials. Our previous results derived using a 350 ps duration compression drive revealed anisotropic elastic wave response in single crystal β-HMX from (110) and (010) impact planes. Here we present results using a 1.05 ns duration compression drive with a 950 ps interferometry window to extend knowledge of the anisotropic dynamic response of β-HMX within eight microns of the initial impact plane. We observe two distinct wave profiles from (010) and three wave profiles from (010) impact planes. The (110) impact plane wave speeds typically exceed (010) impact plane wave speeds at the same piston velocities. The development of multiple hydrodynamic wave profiles begins at 20 GPa for the (110) impact plane and 28 GPa for the (10) impact plane. We compare our ultrafast TDI results with previous gun and plate impact results on β-HMX and PBX9501.

The influence of air-filled structures on wave propagation and beam formation of a pygmy sperm whale (Kogia breviceps) in horizontal and vertical planes.

PubMed

Song, Zhongchang; Zhang, Yu; Thornton, Steven W; Li, Songhai; Dong, Jianchen

2017-10-01

The wave propagation, sound field, and transmission beam pattern of a pygmy sperm whale (Kogia breviceps) were investigated in both the horizontal and vertical planes. Results suggested that the signals obtained at both planes were similarly characterized with a high peak frequency and a relatively narrow bandwidth, close to the ones recorded from live animals. The sound beam measured outside the head in the vertical plane was narrower than that of the horizontal one. Cases with different combinations of air-filled structures in both planes were used to study the respective roles in controlling wave propagation and beam formation. The wave propagations and beam patterns in the horizontal and vertical planes elucidated the important reflection effect of the spermaceti and vocal chambers on sound waves, which was highly significant in forming intensive forward sound beams. The air-filled structures, the forehead soft tissues and skull structures formed wave guides in these two planes for emitted sounds to propagate forward.

Collinear and vector interaction of light waves in nonlinear optical crystals KTiOPO4("KTP"), Ba2NaNb5O15 ("banana")

NASA Astrophysics Data System (ADS)

Deinekina, N. A.; Korosteleva, I. A.; Kravchenko, O. V.; Faleev, D. S.

2016-11-01

Esents the research results of biaxial crystals with mm2 symmetry class. These crystals were used for determining regularities of nonlinear conversion of broadband optical emission on the basis of collinear and vector light waves interactions of different nature. The quantities of the basis nonlinear optical characteristics of "KTP" (KTiOPO4) and "banana" (Ba2NaNb5O15) crystals were calculated in case of synchronous conversion of broadband emission from the area of 0.8 - 2.8 micron to the visible spectrum of 0.4 - 0.7 micron. The nonlinear optical characteristics of "KTP" crystals are defined by their geometrical structure, the mode of interaction of light waves, and the infra-red spectrum width, that was experimentally confirmed on "KTP" crystal. The quality characteristics β were calculated for the "KTP" crystal. For "banana" crystal the angle of phase synchronism θc changes insignificantly when the observation plane is changed. It can be explained by the fact that the biaxiality of crystal is not strongly expressed, because of the basis refraction indices the conditions nz<=ny≈nx are performed.

Ultrasonic standing wave preparation of a liquid cell for glucose measurements in urine by midinfrared spectroscopy and potential application to smart toilets.

PubMed

Yamamoto, Naoyuki; Kawashima, Natsumi; Kitazaki, Tomoya; Mori, Keita; Kang, Hanyue; Nishiyama, Akira; Wada, Kenji; Ishimaru, Ichiro

2018-05-01

Smart toilets could be used to monitor different components of urine in daily life for early detection of lifestyle-related diseases and prompt provision of treatment. For analysis of biological samples such as urine by midinfrared spectroscopy, thin-film samples like liquid cells are needed because of the strong absorption of midinfrared light by water. Conventional liquid cells or fixed cells are prepared based on the liquid membrane method and solution technique, but these are not quantitative and are difficult to set up and clean. We generated an ultrasonic standing wave reflection plane in a sample and produced an ultrasonic liquid cell. In this cell, the thickness of the optical path length was adjustable, as in the conventional method. The reflection plane could be generated at an arbitrary depth and internal reflected light could be detected by changing the frequency of the ultrasonic wave. We could generate refractive index boundaries using the density difference created by the ultrasonic standing wave. Creation of the reflection plane in the sample was confirmed by optical coherence tomography. Using the proposed method and midinfrared spectroscopy, we discriminated between normal urine samples spiked with glucose at different concentrations and obtained a high correlation coefficient. (2018) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

A feasibility study of the use of bounded beams resembling the shape of evanescent and inhomogeneous waves.

PubMed

Declercq, Nico F; Leroy, Oswald

2011-08-01

Plane waves are solutions of the visco-elastic wave equation. Their wave vector can be real for homogeneous plane waves or complex for inhomogeneous and evanescent plane waves. Although interesting from a theoretical point of view, complex wave vectors normally only emerge naturally when propagation or scattering is studied of sound under the appearance of damping effects. Because of the particular behavior of inhomogeneous and evanescent waves and their estimated efficiency for surface wave generation, bounded beams, experimentally mimicking their infinite counterparts similar to (wide) Gaussian beams imitating infinite harmonic plane waves, are of special interest in this report. The study describes the behavior of bounded inhomogeneous and bounded evanescent waves in terms of amplitude and phase distribution as well as energy flow direction. The outcome is of importance to the applicability of bounded inhomogeneous ultrasonic waves for nondestructive testing. Copyright © 2011. Published by Elsevier B.V.

Self-consistent continuum solvation for optical absorption of complex molecular systems in solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Timrov, Iurii; Biancardi, Alessandro; Andreussi, Oliviero

2015-01-21

We introduce a new method to compute the optical absorption spectra of complex molecular systems in solution, based on the Liouville approach to time-dependent density-functional perturbation theory and the revised self-consistent continuum solvation model. The former allows one to obtain the absorption spectrum over a whole wide frequency range, using a recently proposed Lanczos-based technique, or selected excitation energies, using the Casida equation, without having to ever compute any unoccupied molecular orbitals. The latter is conceptually similar to the polarizable continuum model and offers the further advantages of allowing an easy computation of atomic forces via the Hellmann-Feynman theorem andmore » a ready implementation in periodic-boundary conditions. The new method has been implemented using pseudopotentials and plane-wave basis sets, benchmarked against polarizable continuum model calculations on 4-aminophthalimide, alizarin, and cyanin and made available through the QUANTUM ESPRESSO distribution of open-source codes.« less

Efficient Transition State Optimization of Periodic Structures through Automated Relaxed Potential Energy Surface Scans.

PubMed

Plessow, Philipp N

2018-02-13

This work explores how constrained linear combinations of bond lengths can be used to optimize transition states in periodic structures. Scanning of constrained coordinates is a standard approach for molecular codes with localized basis functions, where a full set of internal coordinates is used for optimization. Common plane wave-codes for periodic boundary conditions almost exlusively rely on Cartesian coordinates. An implementation of constrained linear combinations of bond lengths with Cartesian coordinates is described. Along with an optimization of the value of the constrained coordinate toward the transition states, this allows transition optimization within a single calculation. The approach is suitable for transition states that can be well described in terms of broken and formed bonds. In particular, the implementation is shown to be effective and efficient in the optimization of transition states in zeolite-catalyzed reactions, which have high relevance in industrial processes.

Low rank factorization of the Coulomb integrals for periodic coupled cluster theory.

PubMed

Hummel, Felix; Tsatsoulis, Theodoros; Grüneis, Andreas

2017-03-28

We study a tensor hypercontraction decomposition of the Coulomb integrals of periodic systems where the integrals are factorized into a contraction of six matrices of which only two are distinct. We find that the Coulomb integrals can be well approximated in this form already with small matrices compared to the number of real space grid points. The cost of computing the matrices scales as O(N 4 ) using a regularized form of the alternating least squares algorithm. The studied factorization of the Coulomb integrals can be exploited to reduce the scaling of the computational cost of expensive tensor contractions appearing in the amplitude equations of coupled cluster methods with respect to system size. We apply the developed methodologies to calculate the adsorption energy of a single water molecule on a hexagonal boron nitride monolayer in a plane wave basis set and periodic boundary conditions.

Non-plane-wave Hartree-Fock states and nuclear homework potentials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gutierrez, G.; Plastino, A.; de Llano, M.

1979-12-01

It is shown that non-plane-wave single-particle Hartree-Fock orbitals giving rise to a ''spin-density-wave-like'' structure give lower energy than plane waves beyond a certain relatively low density in both nuclear and neutron matter with homework pair potentials v/sub 1/ and v/sub 2/.

Vorticity equation for MHD fast waves in geospace environment

NASA Technical Reports Server (NTRS)

Yamauchi, M.; Lundin, R.; Lui, A. T. Y.

1993-01-01

The MHD vorticity equation is modified in order to apply it to nonlinear MHD fast waves or shocks when their extent along the magnetic field is limited. Field-aligned current (FAC) generation is also discussed on the basis of this modified vorticity equation. When the wave normal is not aligned to the finite velocity convection and the source region is spatially limited, a longitudinal polarization causes a pair of plus and minus charges inside the compressional plane waves or shocks, generating a pair of FACs. This polarization is not related to the separation between the electrons and ions caused by their difference in mass, a separation which is inherent to compressional waves. The resultant double field-aligned current structure exists both with and without the contributions from curvature drift, which is questionable in terms of its contribution to vorticity change from the viewpoint of single-particle motion.

Ground-based observations and simulation of ionospheric VLF source in experiments on modification of the polar ionosphere

NASA Astrophysics Data System (ADS)

Lebed', O. M.; Fedorenko, Yu. V.; Blagoveshchenskaya, N. F.; Larchenko, A. V.; Grigor'ev, V. F.; Pil'gaev, S. V.

2017-11-01

The phase velocities of TE and TEM waves at frequencies of 1017 and 3017 Hz, as well as the effect of precipitations during auroras on the velocities, are estimated in the Earth-ionosphere waveguide on the basis of observations of electromagnetic fields of an ionospheric source in experiments on modification of the lower ionosphere by a modulated high-power short-wave signals performed by the Arctic and Antarctic Research Institute (AARI) at the EISCAT/Heating test bench in October 2016. Probable electron density profiles in the plane-stratified ionosphere are retrieved from the numerical solution of a wave equation, which are used for the calculation of the phase velocities close to measured ones.

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.

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.

Tissue elasticity of in vivo skeletal muscles measured in the transverse and longitudinal planes using shear wave elastography.

PubMed

Chino, Kentaro; Kawakami, Yasuo; Takahashi, Hideyuki

2017-07-01

The aim of the present study was to measure in vivo skeletal muscle elasticity in the transverse and longitudinal planes using shear wave elastography and then to compare the image stability, measurement values and measurement repeatability between these imaging planes. Thirty-one healthy males participated in this study. Tissue elasticity (shear wave velocity) of the medial gastrocnemius, rectus femoris, biceps brachii and rectus abdominis was measured in both the transverse and longitudinal planes using shear wave elastography. Image stability was evaluated by the standard deviation of the colour distribution in the shear wave elastography image. Measurement repeatability was assessed by the coefficient of variance obtained from three measurement values. Image stability of all tested muscles was significantly higher in the longitudinal plane (P<0·001), but measurement repeatability did not differ significantly between the imaging planes (P>0·05), except in the biceps brachii (P = 0·001). Measurement values of the medial gastrocnemius, rectus femoris and biceps brachii were significantly different between the imaging planes (P<0·001). Image stability and measurement values of shear wave elastography images varied with imaging plane, which indicates that imaging plane should be considered when measuring skeletal muscle tissue elasticity by shear wave elastography. © 2015 Scandinavian Society of Clinical Physiology and Nuclear Medicine. Published by John Wiley & Sons Ltd.

MSW (Magnetostatic Wave) Variable Time-Delay Techniques.

DTIC Science & Technology

1983-09-01

will be releasable to the general public, including foreign nations. RADC-TR-83-139 has been reviewed and is approved for publication. APPROVED: 4...film carries by itself an infinite set of modes ( exchange effects being ignored). In the absence of ground planes, the secular equation for a single... exchange (3 2 ) * spin waves, which produces regularly spaced narrow-band absorbtions or "notches" in the delay line transmission response. This effect is

Nonlinear Spectroscopy.

DTIC Science & Technology

1985-03-20

Finally, the (linear) .response of a Fabry - Perot cavity to a phase modulated light wave is considered because of its relevance to phase locking a laser...prepared and therefore doesn’t contribute. This effect provides the remaining factor of two. IV. FABRY - PEROT We now calculate the response of a plane...mirror Fabry - Perot cavity to a phase-modulated laser beam. This linear problem, which contrasts with the nonlinear atomic case, is the basis of an

Dynamics of coupled mode solitons in bursting neural networks

NASA Astrophysics Data System (ADS)

Nfor, N. Oma; Ghomsi, P. Guemkam; Moukam Kakmeni, F. M.

2018-02-01

Using an electrically coupled chain of Hindmarsh-Rose neural models, we analytically derived the nonlinearly coupled complex Ginzburg-Landau equations. This is realized by superimposing the lower and upper cutoff modes of wave propagation and by employing the multiple scale expansions in the semidiscrete approximation. We explore the modified Hirota method to analytically obtain the bright-bright pulse soliton solutions of our nonlinearly coupled equations. With these bright solitons as initial conditions of our numerical scheme, and knowing that electrical signals are the basis of information transfer in the nervous system, it is found that prior to collisions at the boundaries of the network, neural information is purely conveyed by bisolitons at lower cutoff mode. After collision, the bisolitons are completely annihilated and neural information is now relayed by the upper cutoff mode via the propagation of plane waves. It is also shown that the linear gain of the system is inextricably linked to the complex physiological mechanisms of ion mobility, since the speeds and spatial profiles of the coupled nerve impulses vary with the gain. A linear stability analysis performed on the coupled system mainly confirms the instability of plane waves in the neural network, with a glaring example of the transition of weak plane waves into a dark soliton and then static kinks. Numerical simulations have confirmed the annihilation phenomenon subsequent to collision in neural systems. They equally showed that the symmetry breaking of the pulse solution of the system leaves in the network static internal modes, sometime referred to as Goldstone modes.

Dynamics of coupled mode solitons in bursting neural networks.

PubMed

Nfor, N Oma; Ghomsi, P Guemkam; Moukam Kakmeni, F M

2018-02-01

Using an electrically coupled chain of Hindmarsh-Rose neural models, we analytically derived the nonlinearly coupled complex Ginzburg-Landau equations. This is realized by superimposing the lower and upper cutoff modes of wave propagation and by employing the multiple scale expansions in the semidiscrete approximation. We explore the modified Hirota method to analytically obtain the bright-bright pulse soliton solutions of our nonlinearly coupled equations. With these bright solitons as initial conditions of our numerical scheme, and knowing that electrical signals are the basis of information transfer in the nervous system, it is found that prior to collisions at the boundaries of the network, neural information is purely conveyed by bisolitons at lower cutoff mode. After collision, the bisolitons are completely annihilated and neural information is now relayed by the upper cutoff mode via the propagation of plane waves. It is also shown that the linear gain of the system is inextricably linked to the complex physiological mechanisms of ion mobility, since the speeds and spatial profiles of the coupled nerve impulses vary with the gain. A linear stability analysis performed on the coupled system mainly confirms the instability of plane waves in the neural network, with a glaring example of the transition of weak plane waves into a dark soliton and then static kinks. Numerical simulations have confirmed the annihilation phenomenon subsequent to collision in neural systems. They equally showed that the symmetry breaking of the pulse solution of the system leaves in the network static internal modes, sometime referred to as Goldstone modes.

Collective charge excitations of the two-dimensional electride Ca2N

NASA Astrophysics Data System (ADS)

Cudazzo, Pierluigi; Gatti, Matteo

2017-09-01

Ca2N is a layered material that has been recently identified as a two-dimensional (2D) electride, an unusual ionic compound in which electrons serve as anions. The electronic properties of 2D electrides attract considerable interest as the anionic electrons, which form a 2D layer sandwiched between atomic planes, are highly mobile as they are not attached to any ion. Here, on the basis of first-principles time-dependent density-functional theory calculations, we investigate the collective excitations of the electrons—i.e., the plasmons—in Ca2N as a function of wave vector q . Our calculations reveal an intrinsic negative in-plane dispersion of the anionic plasmon, in striking contrast with the homogeneous electron gas. Moreover, for wave vectors q normal to the planes, we find a long-lived plasmon that continues to exist well beyond the first Brillouin zone. This is a mark of the electronic inhomogeneities in the charge response that Ca2N shares with other layered materials like transition-metal dichalcogenides and MgB2. Finally, we compare the plasmon properties of Ca2N in its bulk and monolayer forms, which shows the effect of the different electronic structures and dimensionalities.

Wind velocity profile reconstruction from intensity fluctuations of a plane wave propagating in a turbulent atmosphere.

PubMed

Banakh, V A; Marakasov, D A

2007-08-01

Reconstruction of a wind profile based on the statistics of plane-wave intensity fluctuations in a turbulent atmosphere is considered. The algorithm for wind profile retrieval from the spatiotemporal spectrum of plane-wave weak intensity fluctuations is described, and the results of end-to-end computer experiments on wind profiling based on the developed algorithm are presented. It is shown that the reconstructing algorithm allows retrieval of a wind profile from turbulent plane-wave intensity fluctuations with acceptable accuracy.

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.

Gravitational waves in ghost free bimetric gravity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mohseni, Morteza, E-mail: m-mohseni@pnu.ac.ir

2012-11-01

We obtain a set of exact gravitational wave solutions for the ghost free bimetric theory of gravity. With a flat reference metric, the theory admits the vacuum Brinkmann plane wave solution for suitable choices of the coefficients of different terms in the interaction potential. An exact gravitational wave solution corresponding to a massive scalar mode is also admitted for arbitrary choice of the coefficients with the reference metric being proportional to the spacetime metric. The proportionality factor and the speed of the wave are calculated in terms of the parameters of the theory. We also show that a F(R) extensionmore » of the theory admits similar solutions but in general is plagued with ghost instabilities.« less

Application of the dual-kinetic-balance sets in the relativistic many-body problem of atomic structure

NASA Astrophysics Data System (ADS)

Beloy, Kyle; Derevianko, Andrei

2008-09-01

The dual-kinetic-balance (DKB) finite basis set method for solving the Dirac equation for hydrogen-like ions [V.M. Shabaev et al., Phys. Rev. Lett. 93 (2004) 130405] is extended to problems with a non-local spherically-symmetric Dirac-Hartree-Fock potential. We implement the DKB method using B-spline basis sets and compare its performance with the widely-employed approach of Notre Dame (ND) group [W.R. Johnson, S.A. Blundell, J. Sapirstein, Phys. Rev. A 37 (1988) 307-315]. We compare the performance of the ND and DKB methods by computing various properties of Cs atom: energies, hyperfine integrals, the parity-non-conserving amplitude of the 6s-7s transition, and the second-order many-body correction to the removal energy of the valence electrons. We find that for a comparable size of the basis set the accuracy of both methods is similar for matrix elements accumulated far from the nuclear region. However, for atomic properties determined by small distances, the DKB method outperforms the ND approach. In addition, we present a strategy for optimizing the size of the basis sets by choosing progressively smaller number of basis functions for increasingly higher partial waves. This strategy exploits suppression of contributions of high partial waves to typical many-body correlation corrections.

Monte Carlo simulations of skin exposure to electromagnetic field from 10 GHz to 1 THz

NASA Astrophysics Data System (ADS)

Sasaki, Kensuke; Mizuno, Maya; Wake, Kanako; Watanabe, Soichi

2017-09-01

In this study, we present an assessment of human-body exposure to an electromagnetic field at frequencies ranging from 10 GHz to 1 THz. The energy absorption and temperature elevation were assessed by solving boundary value problems of the one-dimensional Maxwell equations and a bioheat equation for a multilayer plane model. Dielectric properties were measured in~vitro at frequencies of up to 1 THz at body temperature. A Monte Carlo simulation was conducted to assess variations of the transmittance into a skin surface and temperature elevation inside a body by considering the variation of the tissue thickness due to individual differences among human bodies. Furthermore, the impact of the dielectric properties of adipose tissue on temperature elevation, for which large discrepancies between our present measurement results and those in past works were observed, was also examined. We found that the dielectric properties of adipose tissue do not impact on temperature elevation at frequencies over 30 GHz. The potential risk of skin burn was discussed on the basis of the temperature elevation in millimeter-wave and terahertz-wave exposure. Furthermore, the consistency of the basic restrictions in the international guidelines set by ICNIRP was discussed.

Time-dependent quantum chemistry of laser driven many-electron molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen-Dang, Thanh-Tung; Couture-Bienvenue, Étienne; Viau-Trudel, Jérémy

2014-12-28

A Time-Dependent Configuration Interaction approach using multiple Feshbach partitionings, corresponding to multiple ionization stages of a laser-driven molecule, has recently been proposed [T.-T. Nguyen-Dang and J. Viau-Trudel, J. Chem. Phys. 139, 244102 (2013)]. To complete this development toward a fully ab-initio method for the calculation of time-dependent electronic wavefunctions of an N-electron molecule, we describe how tools of multiconfiguration quantum chemistry such as the management of the configuration expansion space using Graphical Unitary Group Approach concepts can be profitably adapted to the new context, that of time-resolved electronic dynamics, as opposed to stationary electronic structure. The method is applied tomore » calculate the detailed, sub-cycle electronic dynamics of BeH{sub 2}, treated in a 3–21G bound-orbital basis augmented by a set of orthogonalized plane-waves representing continuum-type orbitals, including its ionization under an intense λ = 800 nm or λ = 80 nm continuous-wave laser field. The dynamics is strongly non-linear at the field-intensity considered (I ≃ 10{sup 15} W/cm{sup 2}), featuring important ionization of an inner-shell electron and strong post-ionization bound-electron dynamics.« less

Higher Order Bases in a 2D Hybrid BEM/FEM Formulation

NASA Technical Reports Server (NTRS)

Fink, Patrick W.; Wilton, Donald R.

2002-01-01

The advantages of using higher order, interpolatory basis functions are examined in the analysis of transverse electric (TE) plane wave scattering by homogeneous, dielectric cylinders. A boundary-element/finite-element (BEM/FEM) hybrid formulation is employed in which the interior dielectric region is modeled with the vector Helmholtz equation, and a radiation boundary condition is supplied by an Electric Field Integral Equation (EFIE). An efficient method of handling the singular self-term arising in the EFIE is presented. The iterative solution of the partially dense system of equations is obtained using the Quasi-Minimal Residual (QMR) algorithm with an Incomplete LU Threshold (ILUT) preconditioner. Numerical results are shown for the case of an incident wave impinging upon a square dielectric cylinder. The convergence of the solution is shown versus the number of unknowns as a function of the completeness order of the basis functions.

C-plane Reconstructions from Sheaf Acquisition for Ultrasound Electrode Vibration Elastography.

PubMed

Ingle, Atul; Varghese, Tomy

2014-09-03

This paper presents a novel algorithm for reconstructing and visualizing ablated volumes using radiofrequency ultrasound echo data acquired with the electrode vibration elastography approach. The ablation needle is vibrated using an actuator to generate shear wave pulses that are tracked in the ultrasound image plane at different locations away from the needle. This data is used for reconstructing shear wave velocity maps for each imaging plane. A C-plane reconstruction algorithm is proposed which estimates shear wave velocity values on a collection of transverse planes that are perpendicular to the imaging planes. The algorithm utilizes shear wave velocity maps from different imaging planes that share a common axis of intersection. These C-planes can be used to generate a 3D visualization of the ablated region. Experimental validation of this approach was carried out using data from a tissue mimicking phantom. The shear wave velocity estimates were within 20% of those obtained from a clinical scanner, and a contrast of over 4 dB was obtained between the stiff and soft regions of the phantom.

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

Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K.

PubMed

Mondal, Arobendo; Gaultois, Michael W; Pell, Andrew J; Iannuzzi, Marcella; Grey, Clare P; Hutter, Jürg; Kaupp, Martin

2018-01-09

Large-scale computations of nuclear magnetic resonance (NMR) shifts for extended paramagnetic solids (pNMR) are reported using the highly efficient Gaussian-augmented plane-wave implementation of the CP2K code. Combining hyperfine couplings obtained with hybrid functionals with g-tensors and orbital shieldings computed using gradient-corrected functionals, contact, pseudocontact, and orbital-shift contributions to pNMR shifts are accessible. Due to the efficient and highly parallel performance of CP2K, a wide variety of materials with large unit cells can be studied with extended Gaussian basis sets. Validation of various approaches for the different contributions to pNMR shifts is done first for molecules in a large supercell in comparison with typical quantum-chemical codes. This is then extended to a detailed study of g-tensors for extended solid transition-metal fluorides and for a series of complex lithium vanadium phosphates. Finally, lithium pNMR shifts are computed for Li 3 V 2 (PO 4 ) 3 , for which detailed experimental data are available. This has allowed an in-depth study of different approaches (e.g., full periodic versus incremental cluster computations of g-tensors and different functionals and basis sets for hyperfine computations) as well as a thorough analysis of the different contributions to the pNMR shifts. This study paves the way for a more-widespread computational treatment of NMR shifts for paramagnetic materials.

Variation in Optoelectronic Properties of Azo Dye-Sensitized TiO 2 Semiconductor Interfaces with Different Adsorption Anchors: Carboxylate, Sulfonate, Hydroxyl and Pyridyl Groups

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Lei; Cole, Jacqueline M.; Dai, Chencheng

2014-05-28

The optoelectronic properties of four azo dye-sensitized TiO2 interfaces are systematically studied as a function of a changing dye anchoring group: carboxylate, sulfonate, hydroxyl, and pyridyl. The variation in optoelectronic properties of the free dyes and those in dye/TiO 2 nanocomposites are studied both experimentally and computationally, in the context of prospective dye-sensitized solar cell (DSSC) applications. Experimental UV/vis absorption spectroscopy, cyclic voltammetry, and DSSC device performance testing reveal a strong dependence on the nature of the anchor of the optoelectronic properties of these dyes, both in solution and as dye/TiO2 nanocomposites. First-principles calculations on both an isolated dye/TiO2 clustermore » model (using localized basis sets) and each dye modeled onto the surface of a 2D periodic TiO2 nanostructure (using plane wave basis sets) are presented. Detailed examination of these experimental and computational results, in terms of light harvesting, electron conversion and photovoltaic device performance characteristics, indicates that carboxylate is the best anchoring group, and hydroxyl is the worst, whereas sulfonate and pyridyl groups exhibit competing potential. Different sensitization solvents are found to affect critically the extent of dye adsorption achieved in the dye-sensitization of the TiO2 semiconductor, especially where the anchor is a pyridyl group.« less

Performance modeling of terahertz (THz) and millimeter waves (mmW) pupil plane imaging

NASA Astrophysics Data System (ADS)

Mohammadian, Nafiseh; Furxhi, Orges; Zhang, Lei; Offermans, Peter; Ghazi, Galia; Driggers, Ronald

2018-05-01

Terahertz- (THz) and millimeter-wave sensors are becoming more important in industrial, security, medical, and defense applications. A major problem in these sensing areas is the resolution, sensitivity, and visual acuity of the imaging systems. There are different fundamental parameters in designing a system that have significant effects on the imaging performance. The performance of THz systems can be discussed in terms of two characteristics: sensitivity and spatial resolution. New approaches for design and manufacturing of THz imagers are a vital basis for developing future applications. Photonics solutions have been at the technological forefront in THz band applications. A single scan antenna does not provide reasonable resolution, sensitivity, and speed. An effective approach to imaging is placing a high-performance antenna in a two-dimensional antenna array to achieve higher radiation efficiency and higher resolution in the imaging systems. Here, we present the performance modeling of a pupil plane imaging system to find the resolution and sensitivity efficiency of the imaging system.

Pulsed discharges produced by high-power surface waves

NASA Astrophysics Data System (ADS)

Böhle, A.; Ivanov, O.; Kolisko, A.; Kortshagen, U.; Schlüter, H.; Vikharev, A.

1996-02-01

The mechanisms of the ionization front advance in surface-wave-produced discharges are investigated using two experimental set-ups. The high-power surface waves are excited in a 3 cm wavelength band by a surfaguide and a novel type of launcher (an E-plane junction). The ionization front velocity of the surface wave is measured for a wide range of gas pressures, incident microwave power and initial pre-ionization. The experimental results are compared with theoretical ones based on three different models. The comparison between theory and experiment allows one to suggest a new interpretation of the ionization front's advance. The ionization front velocity is determined by a breakdown wave or an ionization wave in the electric field of a high-power surface wave in the zone near the ionization front.

Transport Theory for Propagation and Reverberation

DTIC Science & Technology

2016-07-20

mentioned that our transport theory method is essentially 2-D (range and depth), so that out-of- plane forward scattering (a 3-D effect) is not treated...roughness spectrum, it is useful to consider scattering based on perturbation theory in some detail with a plane wave incident on the rough surface. The...the wave vector for the water wave. Let an incident acoustic plane wave have wave vector ki = kiH + kiz, where kiH denotes the horizontal component

The January 2001, El Salvador Earthquake: A Multi-data Analysis

NASA Astrophysics Data System (ADS)

Vallee, M.; Bouchon, M.; Schwartz, S. Y.

On January 13, 2001, a large normal intermediate depth event (Mw=7.7) occured 40 km away from the Salvadorian coast (Central America). We analysed this earthquake with different sets of seismic data. Because teleseismic waves are the only data which offer a good azimuthal coverage, we first built a kinematic source model with P, SH and surface waves provided by the IRIS,GEOSCOPE and NCEDC networks. P and SH waves were used through a theoretical Green function approach whereas surface waves were used through an Empirical Green Function (EGF) approach. The ambigu- ity between the 30-dipping plane (plunging toward Pacific Ocean) and the 60-degree dipping plane (plunging toward Central America) lead us to do a parallel analysis of the two possible planes. After having relocated the hypocentral depth to 54 km, we tried to retrieve the kinematic features of the rupture. We allowed variable rupture ve- locity (through a finite difference scheme) and variable slip and solved this inverse problem with a combination of the Neighborhood algorithm of Sambridge (1999) and the Simplex method. We found for both planes an updip and northwest rupture prop- agation yielding a centroid depth around 48km. The teleseismic data give a slight preferrence for the 60-dipping plane. In the second part of the study, we tested the two possible fault models with other seismological data, that are (1) regional broad- band data and (2) near-field accelerometers provided by Universidad Centroameri- cana (UCA). Regional data do not allow to discriminate between the two models but near-field data confirm that the fault plane is the steeper one plunging toward Central America. This event initiated at a depth of about 54km on the 60-dipping plane, and rupture propagated mostly updip and to the northwest, breaking a surface of approx- imately 30km*50km with an average slip of about 3.5 m. The large amount of slip occurs updip from the hypocenter near the plate interface. This is better explained by the bending of the subducting plate rather than by a complete decoupling of the slab.

Sound waves and flexural mode dynamics in two-dimensional crystals

NASA Astrophysics Data System (ADS)

Michel, K. H.; Scuracchio, P.; Peeters, F. M.

2017-09-01

Starting from a Hamiltonian with anharmonic coupling between in-plane acoustic displacements and out-of-plane (flexural) modes, we derived coupled equations of motion for in-plane displacements correlations and flexural mode density fluctuations. Linear response theory and time-dependent thermal Green's functions techniques are applied in order to obtain different response functions. As external perturbations we allow for stresses and thermal heat sources. The displacement correlations are described by a Dyson equation where the flexural density distribution enters as an additional perturbation. The flexural density distribution satisfies a kinetic equation where the in-plane lattice displacements act as a perturbation. In the hydrodynamic limit this system of coupled equations is at the basis of a unified description of elastic and thermal phenomena, such as isothermal versus adiabatic sound motion and thermal conductivity versus second sound. The general theory is formulated in view of application to graphene, two-dimensional h-BN, and 2H-transition metal dichalcogenides and oxides.

Electronic Structure Methods Based on Density Functional Theory

DTIC Science & Technology

2010-01-01

0188 The public reporting burden for this collection of information is estimated to average 1 hour per response, including the time for reviewing...chapter in the ASM Handbook , Volume 22A: Fundamentals of Modeling for Metals Processing, 2010. PAO Case Number: 88ABW-2009-3258; Clearance Date: 16 Jul...are represented using a linear combination, or basis, of plane waves. Over time several methods were developed to avoid the large number of planewaves

Spin wave modes in out-of-plane magnetized nanorings

NASA Astrophysics Data System (ADS)

Zhou, X.; Tartakovskaya, E. V.; Kakazei, G. N.; Adeyeye, A. O.

2017-07-01

We investigated the spin wave modes in flat circular permalloy rings with a canted external bias field using ferromagnetic resonance spectroscopy. The external magnetic field H was large enough to saturate the samples. For θ =0∘ (perpendicular geometry), three distinct resonance peaks were observed experimentally. In the case of the cylindrical symmetry violation due to H inclination from normal to the ring plane (the angle θ of H inclination was varied in the 0∘-6∘ range), the splitting of all initial peaks appeared. The distance between neighbor split peaks increased with the θ increment. Unexpectedly, the biggest splitting was observed for the mode with the smallest radial wave vector. This special feature of splitting behavior is determined by the topology of the ring shape. Developed analytical theory revealed that in perpendicular geometry, each observed peak is a combination of signals from the set of radially quantized spin wave excitation with almost the same radial wave vectors, radial profiles, and frequencies, but with different azimuthal dependencies. This degeneracy is a consequence of circular symmetry of the system and can be removed by H inclination from the normal. Our findings were further supported by micromagnetic simulations.

Diffraction of a plane wave by a three-dimensional corner

NASA Technical Reports Server (NTRS)

Ting, L.; Kung, F.

1971-01-01

By the superposition of the conical solution for the diffraction of a plane pulse by a three dimensional corner, the solution for a general incident plane wave is constructed. A numerical program is presented for the computation of the pressure distribution on the surface due to an incident plane wave of any wave form and at any incident angle. Numerical examples are presented to show the pressure signature at several points on the surface due to incident wave with a front shock wave, two shock waves in succession, or a compression wave with same peak pressure. The examples show that when the distance of a point on the surface from the edges or the vertex is comparable to the distance for the front pressure raise to reach the maximum, the peak pressure at that point can be much less than that given by a regular reflection, because the diffracted wave front arrives at that point prior to the arrival of the peak incident wave.

Introduction to Radar Polarimetry

DTIC Science & Technology

1991-04-23

Coulomb force 11 1,2 Static etectric fields 13 1.3 Summary 15 2 ELECTROMAGNETIC WAVES 16 2.1 Harmonic plane waves 16 2.2 The average intensity of a...harmonic plane wave 17 2.3 Spherical harmonic waves 18 2.4 Summary 19 3 THE POLARIZATION OF AN ELECTROMAGNETIC WAVE 20 3.1 The polarization ellipse 20 3.2...CHANGE OF POLARIZATION 31 4.1 Simple examples 31 4.2 Scattering at a plane interface 33 4.3 Summary 36 5 THE SCATTERING MATRIX 37 5.1 Transmission

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.

On the importance of local orbitals using second energy derivatives for d and f electrons

NASA Astrophysics Data System (ADS)

Karsai, Ferenc; Tran, Fabien; Blaha, Peter

2017-11-01

The all-electron linearized augmented plane wave (LAPW) methods are among the most accurate to solve the Kohn-Sham equations of density functional theory for periodic solids. In the LAPW methods, the unit cell is partitioned into spheres surrounding the atoms, inside which the wave functions are expanded into spherical harmonics, and the interstitial region, where the wave functions are expanded in Fourier series. Recently, Michalicek et al. (2013) reported an analysis of the so-called linearization error, which is inherent to the basis functions inside the spheres, and advocated the use of local orbital basis functions involving the second energy derivative of the radial part (HDLO). In the present work, we report the implementation of such basis functions into the WIEN2k code, and discuss in detail the improvement in terms of accuracy. From our tests, which involve atoms from the whole periodic table, it is concluded that for ground-state properties (e.g., equilibrium volume) the use of HDLO is necessary only for atoms with d or f electrons in the valence and large atomic spheres. For unoccupied states which are not too high above the Fermi energy, HDLO systematically improve the band structure, which may be of importance for the calculation of optical properties.

Twisted gravitational waves

NASA Astrophysics Data System (ADS)

Bini, Donato; Chicone, Carmen; Mashhoon, Bahram

2018-03-01

In general relativity (GR), linearized gravitational waves propagating in empty Minkowski spacetime along a fixed spatial direction have the property that the wave front is the Euclidean plane. Beyond the linear regime, exact plane waves in GR have been studied theoretically for a long time and many exact vacuum solutions of the gravitational field equations are known that represent plane gravitational waves. These have parallel rays and uniform wave fronts. It turns out, however, that GR also admits exact solutions representing gravitational waves propagating along a fixed direction that are nonplanar. The wave front is then nonuniform and the bundle of rays is twisted. We find a class of solutions representing nonplanar unidirectional gravitational waves and study some of the properties of these twisted waves.

Consistent structures and interactions by density functional theory with small atomic orbital basis sets.

PubMed

Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas

2015-08-07

A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of "low-cost" electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT methods and reach that of triple-zeta AO basis set second-order perturbation theory (MP2/TZ) level at a tiny fraction of computational effort. Periodic calculations conducted for molecular crystals to test structures (including cell volumes) and sublimation enthalpies indicate very good accuracy competitive to computationally more involved plane-wave based calculations. PBEh-3c can be applied routinely to several hundreds of atoms on a single processor and it is suggested as a robust "high-speed" computational tool in theoretical chemistry and physics.

Fan filters, the 3-D Radon transform, and image sequence analysis.

PubMed

Marzetta, T L

1994-01-01

This paper develops a theory for the application of fan filters to moving objects. In contrast to previous treatments of the subject based on the 3-D Fourier transform, simplicity and insight are achieved by using the 3-D Radon transform. With this point of view, the Radon transform decomposes the image sequence into a set of plane waves that are parameterized by a two-component slowness vector. Fan filtering is equivalent to a multiplication in the Radon transform domain by a slowness response function, followed by an inverse Radon transform. The plane wave representation of a moving object involves only a restricted set of slownesses such that the inner product of the plane wave slowness vector and the moving object velocity vector is equal to one. All of the complexity in the application of fan filters to image sequences results from the velocity-slowness mapping not being one-to-one; therefore, the filter response cannot be independently specified at all velocities. A key contribution of this paper is to elucidate both the power and the limitations of fan filtering in this new application. A potential application of 3-D fan filters is in the detection of moving targets in clutter and noise. For example, an appropriately designed fan filter can reject perfectly all moving objects whose speed, irrespective of heading, is less than a specified cut-off speed, with only minor attenuation of significantly faster objects. A simple geometric construction determines the response of the filter for speeds greater than the cut-off speed.

An analytical model of a curved beam with a T shaped cross section

NASA Astrophysics Data System (ADS)

Hull, Andrew J.; Perez, Daniel; Cox, Donald L.

2018-03-01

This paper derives a comprehensive analytical dynamic model of a closed circular beam that has a T shaped cross section. The new model includes in-plane and out-of-plane vibrations derived using continuous media expressions which produces results that have a valid frequency range above those available from traditional lumped parameter models. The web is modeled using two-dimensional elasticity equations for in-plane motion and the classical flexural plate equation for out-of-plane motion. The flange is modeled using two sets of Donnell shell equations: one for the left side of the flange and one for the right side of the flange. The governing differential equations are solved with unknown wave propagation coefficients multiplied by spatial domain and time domain functions which are inserted into equilibrium and continuity equations at the intersection of the web and flange and into boundary conditions at the edges of the system resulting in 24 algebraic equations. These equations are solved to yield the wave propagation coefficients and this produces a solution to the displacement field in all three dimensions. An example problem is formulated and compared to results from finite element analysis.

Sauter-Schwinger pair creation dynamically assisted by a plane wave

NASA Astrophysics Data System (ADS)

Torgrimsson, Greger; Schneider, Christian; Schützhold, Ralf

2018-05-01

We study electron-positron pair creation by a strong and constant electric field superimposed with a weaker transversal plane wave which is incident perpendicularly (or under some angle). Comparing the fully nonperturbative approach based on the world-line instanton method with a perturbative expansion into powers of the strength of the weaker plane wave, we find good agreement—provided that the latter is carried out to sufficiently high orders. As usual for the dynamically assisted Sauter-Schwinger effect, the additional plane wave induces an exponential enhancement of the pair-creation probability if the combined Keldysh parameter exceeds a certain threshold.

First plasma wave observations at neptune.

PubMed

Gurnett, D A; Kurth, W S; Poynter, R L; Granroth, L J; Cairns, I H; Macek, W M; Moses, S L; Coroniti, F V; Kennel, C F; Barbosa, D D

1989-12-15

The Voyager 2 plasma wave instrument detected many familiar plasma waves during the encounter with Neptune, including electron plasma oscillations in the solar wind upstream of the bow shock, electrostatic turbulence at the bow shock, and chorus, hiss, electron cyclotron waves, and upper hybrid resonance waves in the inner magnetosphere. Low-frequency radio emissions, believed to be generated by mode conversion from the upper hybrid resonance emissions, were also observed propagating outward in a disklike beam along the magnetic equatorial plane. At the two ring plane crossings many small micrometer-sized dust particles were detected striking the spacecraft. The maximum impact rates were about 280 impacts per second at the inbound ring plane crossing, and about 110 impacts per second at the outbound ring plane crossing. Most of the particles are concentrated in a dense disk, about 1000 kilometers thick, centered on the equatorial plane. However, a broader, more tenuous distribution also extends many tens of thousands of kilometers from the equatorial plane, including over the northern polar region.

Screw-symmetric gravitational waves: A double copy of the vortex

NASA Astrophysics Data System (ADS)

Ilderton, A.

2018-07-01

Plane gravitational waves can admit a sixth 'screw' isometry beyond the usual five. The same is true of plane electromagnetic waves. From the point of view of integrable systems, a sixth isometry would appear to over-constrain particle dynamics in such waves; we show here, though, that no effect of the sixth isometry is independent of those from the usual five. Many properties of particle dynamics in a screw-symmetric gravitational wave are also seen in a (non-plane-wave) electromagnetic vortex; we make this connection explicit, showing that the screw-symmetric gravitational wave is the classical double copy of the vortex.

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

PubMed

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

2010-11-01

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

Discretisation Schemes for Level Sets of Planar Gaussian Fields

NASA Astrophysics Data System (ADS)

Beliaev, D.; Muirhead, S.

2018-01-01

Smooth random Gaussian functions play an important role in mathematical physics, a main example being the random plane wave model conjectured by Berry to give a universal description of high-energy eigenfunctions of the Laplacian on generic compact manifolds. Our work is motivated by questions about the geometry of such random functions, in particular relating to the structure of their nodal and level sets. We study four discretisation schemes that extract information about level sets of planar Gaussian fields. Each scheme recovers information up to a different level of precision, and each requires a maximum mesh-size in order to be valid with high probability. The first two schemes are generalisations and enhancements of similar schemes that have appeared in the literature (Beffara and Gayet in Publ Math IHES, 2017. https://doi.org/10.1007/s10240-017-0093-0; Mischaikow and Wanner in Ann Appl Probab 17:980-1018, 2007); these give complete topological information about the level sets on either a local or global scale. As an application, we improve the results in Beffara and Gayet (2017) on Russo-Seymour-Welsh estimates for the nodal set of positively-correlated planar Gaussian fields. The third and fourth schemes are, to the best of our knowledge, completely new. The third scheme is specific to the nodal set of the random plane wave, and provides global topological information about the nodal set up to `visible ambiguities'. The fourth scheme gives a way to approximate the mean number of excursion domains of planar Gaussian fields.

Three-dimensional instability of standing waves

NASA Astrophysics Data System (ADS)

Zhu, Qiang; Liu, Yuming; Yue, Dick K. P.

2003-12-01

We investigate the three-dimensional instability of finite-amplitude standing surface waves under the influence of gravity. The analysis employs the transition matrix (TM) approach and uses a new high-order spectral element (HOSE) method for computation of the nonlinear wave dynamics. HOSE is an extension of the original high-order spectral method (HOS) wherein nonlinear wave wave and wave body interactions are retained up to high order in wave steepness. Instead of global basis functions in HOS, however, HOSE employs spectral elements to allow for complex free-surface geometries and surface-piercing bodies. Exponential convergence of HOS with respect to the total number of spectral modes (for a fixed number of elements) and interaction order is retained in HOSE. In this study, we use TM-HOSE to obtain the stability of general three-dimensional perturbations (on a two-dimensional surface) on two classes of standing waves: plane standing waves in a rectangular tank; and radial/azimuthal standing waves in a circular basin. For plane standing waves, we confirm the known result of two-dimensional side-bandlike instability. In addition, we find a novel three-dimensional instability for base flow of any amplitude. The dominant component of the unstable disturbance is an oblique (standing) wave oriented at an arbitrary angle whose frequency is close to the (nonlinear) frequency of the original standing wave. This finding is confirmed by direct long-time simulations using HOSE which show that the nonlinear evolution leads to classical Fermi Pasta Ulam recurrence. For the circular basin, we find that, beyond a threshold wave steepness, a standing wave (of nonlinear frequency Omega) is unstable to three-dimensional perturbations. The unstable perturbation contains two dominant (standing-wave) components, the sum of whose frequencies is close to 2Omega. From the cases we consider, the critical wave steepness is found to generally decrease/increase with increasing radial/azimuthal mode number of the base standing wave. Finally, we show that the instability we find for both two- and three-dimensional standing waves is a result of third-order (quartet) resonance.

Angle-resolved spin wave band diagrams of square antidot lattices studied by Brillouin light scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gubbiotti, G.; Tacchi, S.; Montoncello, F.

2015-06-29

The Brillouin light scattering technique has been exploited to study the angle-resolved spin wave band diagrams of squared Permalloy antidot lattice. Frequency dispersion of spin waves has been measured for a set of fixed wave vector magnitudes, while varying the wave vector in-plane orientation with respect to the applied magnetic field. The magnonic band gap between the two most dispersive modes exhibits a minimum value at an angular position, which exclusively depends on the product between the selected wave vector magnitude and the lattice constant of the array. The experimental data are in very good agreement with predictions obtained bymore » dynamical matrix method calculations. The presented results are relevant for magnonic devices where the antidot lattice, acting as a diffraction grating, is exploited to achieve multidirectional spin wave emission.« less

The Seismic Tool-Kit (STK): An Open Source Software For Learning the Basis of Signal Processing and Seismology.

NASA Astrophysics Data System (ADS)

Reymond, D.

2016-12-01

We present an open source software project (GNU public license), named STK: Seismic Tool-Kit, that is dedicated mainly for learning signal processing and seismology. The STK project that started in 2007, is hosted by SourceForge.net, and count more than 20000 downloads at the date of writing.The STK project is composed of two main branches:First, a graphical interface dedicated to signal processing (in the SAC format (SAC_ASCII and SAC_BIN): where the signal can be plotted, zoomed, filtered, integrated, derivated, ... etc. (a large variety of IFR and FIR filter is proposed). The passage in the frequency domain via the Fourier transform is used to introduce the estimation of spectral density of the signal , with visualization of the Power Spectral Density (PSD) in linear or log scale, and also the evolutive time-frequency representation (or sonagram). The 3-components signals can be also processed for estimating their polarization properties, either for a given window, or either for evolutive windows along the time. This polarization analysis is useful for extracting the polarized noises, differentiating P waves, Rayleigh waves, Love waves, ... etc. Secondly, a panel of Utilities-Program are proposed for working in a terminal mode, with basic programs for computing azimuth and distance in spherical geometry, inter/auto-correlation, spectral density, time-frequency for an entire directory of signals, focal planes, and main components axis, radiation pattern of P waves, Polarization analysis of different waves (including noise), under/over-sampling the signals, cubic-spline smoothing, and linear/non linear regression analysis of data set. STK is developed in C/C++, mainly under Linux OS, and it has been also partially implemented under MS-Windows. STK has been used in some schools for viewing and plotting seismic records provided by IRIS, and it has been used as a practical support for teaching the basis of signal processing. Useful links:http://sourceforge.net/projects/seismic-toolkit/http://sourceforge.net/p/seismic-toolkit/wiki/browse_pages/

Precursor Wave Emission Enhanced by Weibel Instability in Relativistic Shocks

NASA Astrophysics Data System (ADS)

Iwamoto, Masanori; Amano, Takanobu; Hoshino, Masahiro; Matsumoto, Yosuke

2018-05-01

We investigated the precursor wave emission efficiency in magnetized purely perpendicular relativistic shocks in pair plasmas. We extended our previous study to include the dependence of upstream magnetic field orientations. We performed two-dimensional particle-in-cell simulations and focused on two magnetic field orientations: the magnetic field in the simulation plane (i.e., in-plane configuration) and that perpendicular to the simulation plane (i.e., out-of-plane configuration). Our simulations in the in-plane configuration demonstrated that not only extraordinary but also ordinary mode waves are excited. We quantified the emission efficiency as a function of the magnetization parameter σ e and found that the large-amplitude precursor waves are emitted for a wide range of σ e . We found that especially at low σ e , the magnetic field generated by Weibel instability amplifies the ordinary mode wave power. The amplitude is large enough to perturb the upstream plasma, and transverse density filaments are generated as in the case of the out-of-plane configuration investigated in the previous study. We confirmed that our previous conclusion holds regardless of upstream magnetic field orientations with respect to the two-dimensional simulation plane. We discuss the precursor wave emission in three dimensions and the feasibility of wakefield acceleration in relativistic shocks based on our results.

Basis convergence of range-separated density-functional theory.

PubMed

Franck, Odile; Mussard, Bastien; Luppi, Eleonora; Toulouse, Julien

2015-02-21

Range-separated density-functional theory (DFT) is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation. Among the advantages of using many-body methods for the long-range part of the electron-electron interaction is that they are much less sensitive to the one-electron atomic basis compared to the case of the standard Coulomb interaction. Here, we provide a detailed study of the basis convergence of range-separated density-functional theory. We study the convergence of the partial-wave expansion of the long-range wave function near the electron-electron coalescence. We show that the rate of convergence is exponential with respect to the maximal angular momentum L for the long-range wave function, whereas it is polynomial for the case of the Coulomb interaction. We also study the convergence of the long-range second-order Møller-Plesset correlation energy of four systems (He, Ne, N2, and H2O) with cardinal number X of the Dunning basis sets cc - p(C)V XZ and find that the error in the correlation energy is best fitted by an exponential in X. This leads us to propose a three-point complete-basis-set extrapolation scheme for range-separated density-functional theory based on an exponential formula.

Behavior of piezoelectric wafer active sensor in various media

NASA Astrophysics Data System (ADS)

Kamas, Tuncay

The dissertation addresses structural health monitoring (SHM) techniques using ultrasonic waves generated by piezoelectric wafer active sensors (PWAS) with an emphasis on the development of theoretical models of standing harmonic waves and guided waves. The focal objective of the research is to extend the theoretical study of electro-mechanical coupled PWAS as a resonator/transducer that interacts with standing and traveling waves in various media through electro-mechanical impedance spectroscopy (EMIS) method and guided wave propagation. The analytical models are developed and the coupled field finite element analysis (CF-FEA) models are simulated and verified with experiments. The dissertation is divided into two parts with respect to the developments in EMIS methods and GWP methods. In the first part, analytical and finite element models have been developed for the simulation of PWAS-EMIS in in-plane (longitudinal) and out-of-plane (thickness) mode. Temperature effects on free PWAS-EMIS are also discussed with respect to the in-plane mode. Piezoelectric material degradation on certain electrical and mechanical properties as the temperature increases is simulated by our analytical model for in-plane circular PWAS-EMIS that agrees well with the sets of experiments. Then the thickness mode PWAS-EMIS model was further developed for a PWAS resonator bonded on a plate-like structure. The latter analytical model was to determine the resonance frequencies for the normal mode expansion method through the global matrix method by considering PWAS-substrate and proof mass-PWAS-substrate models. The proof mass concept was adapted to shift the systems resonance frequencies in thickness mode. PWAS in contact with liquid medium on one of its surface has been analytically modeled and simulated the electro-mechanical response of PWAS with various liquids with different material properties such as the density and the viscosity. The second part discusses the guided wave propagation in elastic structures. The feature guided waves in thick structures and in high frequency range are discussed considering weld guided quasi-Rayleigh waves. Furthermore, the weld guided quasi Rayleigh waves and their interaction with damages in thick plates and thick walled pipes are examined by the finite element models and experiments. The dissertation finishes with a summary of contributions followed by conclusions, and suggestions for future work.

Theoretical investigation of generator-collector microwell arrays for improving electroanalytical selectivity: application to selective dopamine detection in the presence of ascorbic acid.

PubMed

Oleinick, Alexander; Zhu, Feng; Yan, Jiawei; Mao, Bingwei; Svir, Irina; Amatore, Christian

2013-06-24

Recessed generator-collector assemblies consisting of an array of recessed disks (generator electrodes) with a gold layer (collector electrode) deposited over the top-plane insulator reportedly allow increased selectivity and sensitivity during electrochemical detection of dopamine (DA) in the presence of ascorbic acid (AA), a situation which is frequently encountered. In sensor design, the potential of the disk electrodes is set to the wave plateau of DA, whereas the plane electrode is biased at the irreversible wave plateau of AA before the onset of the DA oxidation wave. Thus, AA is scavenged but DA is allowed to enter the nanocavities to be oxidized at the disk electrodes, and its signal is further amplified by redox cycling between disk and plane electrodes. Several different theoretical approaches are elaborated herein to analyze the behavior of the system, and their conclusions are successfully tested by experiments. This reveals the crucial role of the plane-electrode area which screens access to the recessed disks (i.e. acts as a diffusional Faraday cage) and simultaneously contributes to amplification of the analyte signal through positive feedback, as occurs in interdigitated arrays and scanning electrochemical microscopy. Simulations also allow for the evaluation of the benefits of different geometries inspired by the above design and different operating modes for increasing the sensor performance. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

THz holography in reflection using a high resolution microbolometer array.

PubMed

Zolliker, Peter; Hack, Erwin

2015-05-04

We demonstrate a digital holographic setup for Terahertz imaging of surfaces in reflection. The set-up is based on a high-power continuous wave (CW) THz laser and a high-resolution (640 × 480 pixel) bolometer detector array. Wave propagation to non-parallel planes is used to reconstruct the object surface that is rotated relative to the detector plane. In addition we implement synthetic aperture methods for resolution enhancement and compare Fourier transform phase retrieval to phase stepping methods. A lateral resolution of 200 μm and a relative phase sensitivity of about 0.4 rad corresponding to a depth resolution of 6 μm are estimated from reconstructed images of two specially prepared test targets, respectively. We highlight the use of digital THz holography for surface profilometry as well as its potential for video-rate imaging.

The Role of Angular Momentum in the Construction of Electromagnetic Multipolar Fields

ERIC Educational Resources Information Center

Tischler, Nora; Zambrana-Puyalto, Xavier; Molina-Terriza, Gabriel

2012-01-01

Multipolar solutions of Maxwell's equations are used in many practical applications and are essential for the understanding of light-matter interactions at the fundamental level. Unlike the set of plane wave solutions of electromagnetic fields, the multipolar solutions do not share a standard derivation or notation. As a result, expressions…

Computation of an ESD-induced E-field Envirnoment and Definition of a Current Injector Test set-up at Equipment Level

NASA Astrophysics Data System (ADS)

Marque, J. P.; Issac, F.; Parmantier, J. P.; Bertuol, S.

1998-11-01

The ESD-induced electromagnetic field on a S/C is computed using the 3D PIC code GEODE. Typical E-field waveforms are deduced and a new susceptibility test at equipment level is proposed as an alternative to the plane wave approach.

The reduced basis method for the electric field integral equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fares, M., E-mail: fares@cerfacs.f; Hesthaven, J.S., E-mail: Jan_Hesthaven@Brown.ed; Maday, Y., E-mail: maday@ann.jussieu.f

We introduce the reduced basis method (RBM) as an efficient tool for parametrized scattering problems in computational electromagnetics for problems where field solutions are computed using a standard Boundary Element Method (BEM) for the parametrized electric field integral equation (EFIE). This combination enables an algorithmic cooperation which results in a two step procedure. The first step consists of a computationally intense assembling of the reduced basis, that needs to be effected only once. In the second step, we compute output functionals of the solution, such as the Radar Cross Section (RCS), independently of the dimension of the discretization space, formore » many different parameter values in a many-query context at very little cost. Parameters include the wavenumber, the angle of the incident plane wave and its polarization.« less

Evaluation method of TiO2-SiO2 ultra-low-expansion glasses with periodic striae using the LFB ultrasonic material characterization system.

PubMed

Kushibiki, Jun-ichi; Arakawa, Mototaka; Ohashi, Yuji; Suzuki, Kouji

2006-09-01

Experimental procedures and standard specimens for characterizing and evaluating TiO2-SiO2 ultra-low expansion glasses with periodic striae using the line-focus-beam (LFB) ultrasonic material characterization system are discussed. Two types of specimens were prepared, with specimen surfaces parallel and perpendicular to the striae plane using two different grades of glass ingots. The inhomogeneities of each of the specimens were evaluated at 225 MHz. It was clarified that parallel specimens are useful for accurately measuring velocity variations of leaky surface acoustic waves (LSAWs) excited on a water-loaded specimen surface associated with the striae. Perpendicular specimens are useful for obtaining periodicities in the striae for LSAW propagation perpendicular to the striae plane on a surface and for precisely measuring averaged velocities for LSAW propagation parallel to the striae plane. The standard velocity of Rayleigh-type LSAWs traveling parallel to the striae plane for the perpendicular specimens was numerically calculated using the measured velocities of longitudinal and shear waves and density. Consequently, a reliable standard specimen with an LSAW velocity of 3308.18 +/- 0.35 m/s at 23 degrees C and its temperature coefficient of 0.39 (m/s)/degrees C was obtained for a TiO2-SiO2 glass with a TiO2 concentration of 7.09 wt%. A basis for the striae analysis using this ultrasonic method was established.

Operational wave now- and forecast in the German Bight as a basis for the assessment of wave-induced hydrodynamic loads on coastal dikes

NASA Astrophysics Data System (ADS)

Dreier, Norman; Fröhle, Peter

2017-12-01

The knowledge of the wave-induced hydrodynamic loads on coastal dikes including their temporal and spatial resolution on the dike in combination with actual water levels is of crucial importance of any risk-based early warning system. As a basis for the assessment of the wave-induced hydrodynamic loads, an operational wave now- and forecast system is set up that consists of i) available field measurements from the federal and local authorities and ii) data from numerical simulation of waves in the German Bight using the SWAN wave model. In this study, results of the hindcast of deep water wave conditions during the winter storm on 5-6 December, 2013 (German name `Xaver') are shown and compared with available measurements. Moreover field measurements of wave run-up from the local authorities at a sea dike on the German North Sea Island of Pellworm are presented and compared against calculated wave run-up using the EurOtop (2016) approach.

Transform- and multi-domain deep learning for single-frame rapid autofocusing in whole slide imaging.

PubMed

Jiang, Shaowei; Liao, Jun; Bian, Zichao; Guo, Kaikai; Zhang, Yongbing; Zheng, Guoan

2018-04-01

A whole slide imaging (WSI) system has recently been approved for primary diagnostic use in the US. The image quality and system throughput of WSI is largely determined by the autofocusing process. Traditional approaches acquire multiple images along the optical axis and maximize a figure of merit for autofocusing. Here we explore the use of deep convolution neural networks (CNNs) to predict the focal position of the acquired image without axial scanning. We investigate the autofocusing performance with three illumination settings: incoherent Kohler illumination, partially coherent illumination with two plane waves, and one-plane-wave illumination. We acquire ~130,000 images with different defocus distances as the training data set. Different defocus distances lead to different spatial features of the captured images. However, solely relying on the spatial information leads to a relatively bad performance of the autofocusing process. It is better to extract defocus features from transform domains of the acquired image. For incoherent illumination, the Fourier cutoff frequency is directly related to the defocus distance. Similarly, autocorrelation peaks are directly related to the defocus distance for two-plane-wave illumination. In our implementation, we use the spatial image, the Fourier spectrum, the autocorrelation of the spatial image, and combinations thereof as the inputs for the CNNs. We show that the information from the transform domains can improve the performance and robustness of the autofocusing process. The resulting focusing error is ~0.5 µm, which is within the 0.8-µm depth-of-field range. The reported approach requires little hardware modification for conventional WSI systems and the images can be captured on the fly without focus map surveying. It may find applications in WSI and time-lapse microscopy. The transform- and multi-domain approaches may also provide new insights for developing microscopy-related deep-learning networks. We have made our training and testing data set (~12 GB) open-source for the broad research community.

Permutation entropy and statistical complexity analysis of turbulence in laboratory plasmas and the solar wind.

PubMed

Weck, P J; Schaffner, D A; Brown, M R; Wicks, R T

2015-02-01

The Bandt-Pompe permutation entropy and the Jensen-Shannon statistical complexity are used to analyze fluctuating time series of three different turbulent plasmas: the magnetohydrodynamic (MHD) turbulence in the plasma wind tunnel of the Swarthmore Spheromak Experiment (SSX), drift-wave turbulence of ion saturation current fluctuations in the edge of the Large Plasma Device (LAPD), and fully developed turbulent magnetic fluctuations of the solar wind taken from the Wind spacecraft. The entropy and complexity values are presented as coordinates on the CH plane for comparison among the different plasma environments and other fluctuation models. The solar wind is found to have the highest permutation entropy and lowest statistical complexity of the three data sets analyzed. Both laboratory data sets have larger values of statistical complexity, suggesting that these systems have fewer degrees of freedom in their fluctuations, with SSX magnetic fluctuations having slightly less complexity than the LAPD edge I(sat). The CH plane coordinates are compared to the shape and distribution of a spectral decomposition of the wave forms. These results suggest that fully developed turbulence (solar wind) occupies the lower-right region of the CH plane, and that other plasma systems considered to be turbulent have less permutation entropy and more statistical complexity. This paper presents use of this statistical analysis tool on solar wind plasma, as well as on an MHD turbulent experimental plasma.

Analysis of gene transfer rate with immobilized retroviral vectors.

PubMed

Peng, Ching-An

2009-04-01

Efficient delivery of transgenes into the cell nucleus by retroviral vectors in a static culture system is limited by the intrinsic features of incompetent retroviruses (i.e., thermodynamically unstable envelope proteins and low titers). Although several physicochemical approaches (e.g., adding polycationic polymer and applying magnetic force) have been reported to augment the retroviral gene transfer rate, none are suitable for scaling up to a setting for clinical use. The study of using acoustic fields with the form of standing waves has recently been reported to be a feasible way to enhance retroviral gene delivery efficiency in large-scale settings. The concept of using ultrasound standing-wave fields to increase retrovirus-mediated gene transfer is based on quickly established cell bands on acoustic nodal planes as nucleating sites to capture unstable colloidlike retroviruses. In this study, instead of having retroviral nanoparticles circulated between nodal planes, we proposed to immobilize retroviruses onto acoustic transparent films arranged in an acoustic chamber. Then, cells inoculated into the acoustic chamber can be driven by the primary radiation forces to the retrovirus-coated films that are constructed on the nodal planes. To obtain the optimal time of immobilizing retroviruses onto the acoustic transparent film prior to the inception of acoustic fields, we developed a retroviral diffusion-reaction model to describe such a static retroviral system. Analysis of viral transport model has its merit to guide experimental design for attaining high gene transfer efficiency.

Microchip laser operation of Tm,Ho:KLu(WO₄)₂ crystal.

PubMed

Loiko, Pavel; Serres, Josep Maria; Mateos, Xavier; Yumashev, Konstantin; Kuleshov, Nikolai; Petrov, Valentin; Griebner, Uwe; Aguiló, Magdalena; Díaz, Francesc

2014-11-17

A microchip laser is realized on the basis of a monoclinic Tm,Ho-codoped KLu(WO₄)₂crystal cut for light propagation along the Ng optical indicatrix axis. This crystal cut provides positive thermal lens with extremely weak astigmatism, S/M = 4%. High sensitivity factors, M = dD/dP(abs), of 24.9 and 24.1 m(-1)/W for the mg- and pg- tangential planes are calculated with respect to the absorbed pump power. Such thermo-optic behavior is responsible for mode stabilization in the plano-plano microchip laser cavity, as well as the demonstrated perfect circular beam profile (M(2) < 1.1). Maximum continuous-wave output power of 450 mW is obtained with a slope efficiency of 31%. A set of output couplers is employed to achieve lasing in the spectral range of 2060-2096 nm. The increase of output coupler transmission results in deterioration of the laser performance attributed to the increased up-conversion losses.

Intrinsic point defects in β-In2S3 studied by means of hybrid density-functional theory

NASA Astrophysics Data System (ADS)

Ghorbani, Elaheh; Albe, Karsten

2018-03-01

We have employed first principles total energy calculations in the framework of density functional theory, with plane wave basis sets and screened exchange hybrid functionals to study the incorporation of intrinsic defects in bulk β-In2S3. The results are obtained for In-rich and S-rich experimental growth conditions. The charge transition level is discussed for all native defects, including VIn, VS, Ini, Si, SIn, and InS, and a comparison between the theoretically calculated charge transition levels and the available experimental findings is presented. The results imply that β-In2S3 shows n-type conductivity under both In-rich and S-rich growth conditions. The indium antiisite (InS), the indium interstitial (Ini), and the sulfur vacancy ( VS ' ) are found to be the leading sources of sample's n-type conductivity. When going from the In-rich to the S-rich condition, the conductivity of the material decreases; however, the type of conductivity remains unchanged.

Metamaterials: supra-classical dynamic homogenization

NASA Astrophysics Data System (ADS)

Caleap, Mihai; Drinkwater, Bruce W.

2015-12-01

Metamaterials are artificial composite structures designed for controlling waves or fields, and exhibit interaction phenomena that are unexpected on the basis of their chemical constituents. These phenomena are encoded in effective material parameters that can be electronic, magnetic, acoustic, or elastic, and must adequately represent the wave interaction behavior in the composite within desired frequency ranges. In some cases—for example, the low frequency regime—there exist various efficient ways by which effective material parameters for wave propagation in metamaterials may be found. However, the general problem of predicting frequency-dependent dynamic effective constants has remained unsolved. Here, we obtain novel mathematical expressions for the effective parameters of two-dimensional metamaterial systems valid at higher frequencies and wavelengths than previously possible. By way of an example, random configurations of cylindrical scatterers are considered, in various physical contexts: sound waves in a compressible fluid, anti-plane elastic waves, and electromagnetic waves. Our results point towards a paradigm shift in our understanding of these effective properties, and metamaterial designs with functionalities beyond the low-frequency regime are now open for innovation. Dedicated with gratitude to the memory of Prof Yves C Angel.

Non-filamentated ultra-intense and ultra-short pulse fronts in three-dimensional Raman seed amplification

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lehmann, G.; Spatschek, K. H.

Ultra-intense and ultra-short laser pulses may be generated up to the exawatt-zetawatt regime due to parametric processes in plasmas. The minimization of unwanted plasma processes leads to operational limits which are discussed here with respect to filamentation. Transverse filamentation, which originally was derived for plane waves, is being investigated for seed pulse propagation in the so called π-pulse limit. A three-dimensional (3D) three-wave-interaction model is the basis of the present investigation. To demonstrate the applicability of the three-wave-interaction model, the 1D pulse forms are compared with those obtained from 1D particle in cell and Vlasov simulations. Although wave-breaking may occur,more » the kinetic simulations show that the leading pumped pulse develops a form similar to that obtained from the three-wave-interaction model. In the main part, 2D and 3D filamentation processes of (localized) pulses are investigated with the three-wave-interaction model. It is shown that the leading pulse front can stay filamentation-free, whereas the rear parts show transverse modulations.« less

STM contrast of a CO dimer on a Cu(1 1 1) surface: a wave-function analysis.

PubMed

Gustafsson, Alexander; Paulsson, Magnus

2017-12-20

We present a method used to intuitively interpret the scanning tunneling microscopy (STM) contrast by investigating individual wave functions originating from the substrate and tip side. We use localized basis orbital density functional theory, and propagate the wave functions into the vacuum region at a real-space grid, including averaging over the lateral reciprocal space. Optimization by means of the method of Lagrange multipliers is implemented to perform a unitary transformation of the wave functions in the middle of the vacuum region. The method enables (i) reduction of the number of contributing tip-substrate wave function combinations used in the corresponding transmission matrix, and (ii) to bundle up wave functions with similar symmetry in the lateral plane, so that (iii) an intuitive understanding of the STM contrast can be achieved. The theory is applied to a CO dimer adsorbed on a Cu(1 1 1) surface scanned by a single-atom Cu tip, whose STM image is discussed in detail by the outlined method.

STM contrast of a CO dimer on a Cu(1 1 1) surface: a wave-function analysis

NASA Astrophysics Data System (ADS)

Gustafsson, Alexander; Paulsson, Magnus

2017-12-01

We present a method used to intuitively interpret the scanning tunneling microscopy (STM) contrast by investigating individual wave functions originating from the substrate and tip side. We use localized basis orbital density functional theory, and propagate the wave functions into the vacuum region at a real-space grid, including averaging over the lateral reciprocal space. Optimization by means of the method of Lagrange multipliers is implemented to perform a unitary transformation of the wave functions in the middle of the vacuum region. The method enables (i) reduction of the number of contributing tip-substrate wave function combinations used in the corresponding transmission matrix, and (ii) to bundle up wave functions with similar symmetry in the lateral plane, so that (iii) an intuitive understanding of the STM contrast can be achieved. The theory is applied to a CO dimer adsorbed on a Cu(1 1 1) surface scanned by a single-atom Cu tip, whose STM image is discussed in detail by the outlined method.

Characterizing optical chirality

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bliokh, Konstantin Y.; Advanced Science Institute, RIKEN, Wako-shi, Saitama 351-0198; Nori, Franco

We examine the recently introduced measure of chirality of a monochromatic optical field [Y. Tang and A. E. Cohen, Phys. Rev. Lett. 104, 163901 (2010)] using the momentum (plane-wave) representation and helicity basis. Our analysis clarifies the physical meaning of the measure of chirality and unveils its close relation to the polarization helicity, spin angular momentum, energy density, and Poynting energy flow. We derive the operators of the optical chirality and of the corresponding chiral momentum, which acquire remarkably simple forms in the helicity representation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guedes, Carlos; Oriti, Daniele; Raasakka, Matti

The phase space given by the cotangent bundle of a Lie group appears in the context of several models for physical systems. A representation for the quantum system in terms of non-commutative functions on the (dual) Lie algebra, and a generalized notion of (non-commutative) Fourier transform, different from standard harmonic analysis, has been recently developed, and found several applications, especially in the quantum gravity literature. We show that this algebra representation can be defined on the sole basis of a quantization map of the classical Poisson algebra, and identify the conditions for its existence. In particular, the corresponding non-commutative star-productmore » carried by this representation is obtained directly from the quantization map via deformation quantization. We then clarify under which conditions a unitary intertwiner between such algebra representation and the usual group representation can be constructed giving rise to the non-commutative plane waves and consequently, the non-commutative Fourier transform. The compact groups U(1) and SU(2) are considered for different choices of quantization maps, such as the symmetric and the Duflo map, and we exhibit the corresponding star-products, algebra representations, and non-commutative plane waves.« less

Highly precise acoustic calibration method of ring-shaped ultrasound transducer array for plane-wave-based ultrasound tomography

NASA Astrophysics Data System (ADS)

Terada, Takahide; Yamanaka, Kazuhiro; Suzuki, Atsuro; Tsubota, Yushi; Wu, Wenjing; Kawabata, Ken-ichi

2017-07-01

Ultrasound computed tomography (USCT) is promising for a non-invasive, painless, operator-independent and quantitative system for breast-cancer screening. Assembly error, production tolerance, and aging-degradation variations of the hardwire components, particularly of plane-wave-based USCT systems, may hamper cost effectiveness, precise imaging, and robust operation. The plane wave is transmitted from a ring-shaped transducer array for receiving the signal at a high signal-to-noise-ratio and fast aperture synthesis. There are four signal-delay components: response delays in the transmitters and receivers and propagation delays depending on the positions of the transducer elements and their directivity. We developed a highly precise calibration method for calibrating these delay components and evaluated it with our prototype plane-wave-based USCT system. Our calibration method was found to be effective in reducing delay errors. Gaps and curves were eliminated from the plane wave, and echo images of wires were sharpened in the entire imaging area.

Grating tuned unstable resonator laser cavity

DOEpatents

Johnson, Larry C.

1982-01-01

An unstable resonator to be used in high power, narrow line CO.sub.2 pump lasers comprises an array of four reflectors in a ring configuration wherein spherical and planar wavefronts are separated from each other along separate optical paths and only the planar wavefronts are impinged on a plane grating for line tuning. The reflector array comprises a concave mirror for reflecting incident spherical waves as plane waves along an output axis to form an output beam. A plane grating on the output axis is oriented to reflect a portion of the output beam off axis onto a planar relay mirror spaced apart from the output axis in proximity to the concave mirror. The relay mirror reflects plane waves from the grating to impinge on a convex expanding mirror spaced apart from the output axis in proximity to the grating. The expanding mirror reflects the incident planar waves as spherical waves to illuminate the concave mirror. Tuning is provided by rotating the plane grating about an axis normal to the output axis.

Development of Nano Plasmonic Structures for Multispectral IR Filters

DTIC Science & Technology

the polarization is parallel to the short ridge of the rectangle hole, it yields high optical transmission. The hole aspects are very important to the...Cross-shaped-hole arrays (CSHAs) are selected3 to diminish the polarization-dependent transmission differences of incident plane waves. The transmission...for the CSHA are set to 280nm and 50nm for period of 350nm, respectively; and the thicknesses of the metal films are set to 100nm. We varied the

A dynamical systems approach to the tilted Bianchi models of solvable type

NASA Astrophysics Data System (ADS)

Coley, Alan; Hervik, Sigbjørn

2005-02-01

We use a dynamical systems approach to analyse the tilting spatially homogeneous Bianchi models of solvable type (e.g., types VIh and VIIh) with a perfect fluid and a linear barotropic γ-law equation of state. In particular, we study the late-time behaviour of tilted Bianchi models, with an emphasis on the existence of equilibrium points and their stability properties. We briefly discuss the tilting Bianchi type V models and the late-time asymptotic behaviour of irrotational Bianchi type VII0 models. We prove the important result that for non-inflationary Bianchi type VIIh models vacuum plane-wave solutions are the only future attracting equilibrium points in the Bianchi type VIIh invariant set. We then investigate the dynamics close to the plane-wave solutions in more detail, and discover some new features that arise in the dynamical behaviour of Bianchi cosmologies with the inclusion of tilt. We point out that in a tiny open set of parameter space in the type IV model (the loophole) there exist closed curves which act as attracting limit cycles. More interestingly, in the Bianchi type VIIh models there is a bifurcation in which a set of equilibrium points turns into closed orbits. There is a region in which both sets of closed curves coexist, and it appears that for the type VIIh models in this region the solution curves approach a compact surface which is topologically a torus.

Basis convergence of range-separated density-functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Franck, Odile, E-mail: odile.franck@etu.upmc.fr; Mussard, Bastien, E-mail: bastien.mussard@upmc.fr; CNRS, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris

2015-02-21

Range-separated density-functional theory (DFT) is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation. Among the advantages of using many-body methods for the long-range part of the electron-electron interaction is that they are much less sensitive to the one-electron atomic basis compared to the case of the standard Coulomb interaction. Here, we provide a detailed study of the basis convergence of range-separated density-functional theory. Wemore » study the convergence of the partial-wave expansion of the long-range wave function near the electron-electron coalescence. We show that the rate of convergence is exponential with respect to the maximal angular momentum L for the long-range wave function, whereas it is polynomial for the case of the Coulomb interaction. We also study the convergence of the long-range second-order Møller-Plesset correlation energy of four systems (He, Ne, N{sub 2}, and H{sub 2}O) with cardinal number X of the Dunning basis sets cc − p(C)V XZ and find that the error in the correlation energy is best fitted by an exponential in X. This leads us to propose a three-point complete-basis-set extrapolation scheme for range-separated density-functional theory based on an exponential formula.« less

Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule

PubMed Central

Zen, Andrea; Luo, Ye; Sorella, Sandro; Guidoni, Leonardo

2014-01-01

Quantum Monte Carlo methods are accurate and promising many body techniques for electronic structure calculations which, in the last years, are encountering a growing interest thanks to their favorable scaling with the system size and their efficient parallelization, particularly suited for the modern high performance computing facilities. The ansatz of the wave function and its variational flexibility are crucial points for both the accurate description of molecular properties and the capabilities of the method to tackle large systems. In this paper, we extensively analyze, using different variational ansatzes, several properties of the water molecule, namely, the total energy, the dipole and quadrupole momenta, the ionization and atomization energies, the equilibrium configuration, and the harmonic and fundamental frequencies of vibration. The investigation mainly focuses on variational Monte Carlo calculations, although several lattice regularized diffusion Monte Carlo calculations are also reported. Through a systematic study, we provide a useful guide to the choice of the wave function, the pseudopotential, and the basis set for QMC calculations. We also introduce a new method for the computation of forces with finite variance on open systems and a new strategy for the definition of the atomic orbitals involved in the Jastrow-Antisymmetrised Geminal power wave function, in order to drastically reduce the number of variational parameters. This scheme significantly improves the efficiency of QMC energy minimization in case of large basis sets. PMID:24526929

Fourier optics of constant-thickness three-dimensional objects on the basis of diffraction models

NASA Astrophysics Data System (ADS)

Chugui, Yu. V.

2017-09-01

Results of investigations of diffraction phenomena on constant-thickness three-dimensional objects with flat inner surfaces (thick plates) are summarized on the basis of our constructive theory of their calculation as applied to dimensional inspection. It is based on diffraction models of 3D objects with the use of equivalent diaphragms (distributions), which allow the Kirchhoff-Fresnel approximation to be effectively used. In contrast to available rigorous and approximate methods, the present approach does not require cumbersome calculations; it is a clearly arranged method, which ensures sufficient accuracy for engineering applications. It is found that the fundamental diffraction parameter for 3D objects of constant thickness d is the critical diffraction angle {θ _{cr}} = √ {λ /d} at which the effect of three-dimensionality on the spectrum of the 3D object becomes appreciable. Calculated Fraunhofer diffraction patterns (spectra) and images of constant-thickness 3D objects with absolutely absorbing, absolutely reflecting, and gray internal faces are presented. It is demonstrated that selection of 3D object fragments can be performed by choosing an appropriate configuration of the wave illuminating the object (plane normal or inclined waves, spherical waves).

40 MHz high-frequency ultrafast ultrasound imaging.

PubMed

Huang, Chih-Chung; Chen, Pei-Yu; Peng, Po-Hsun; Lee, Po-Yang

2017-06-01

Ultrafast high-frame-rate ultrasound imaging based on coherent-plane-wave compounding has been developed for many biomedical applications. Most coherent-plane-wave compounding systems typically operate at 3-15 MHz, and the image resolution for this frequency range is not sufficient for visualizing microstructure tissues. Therefore, the purpose of this study was to implement a high-frequency ultrafast ultrasound imaging operating at 40 MHz. The plane-wave compounding imaging and conventional multifocus B-mode imaging were performed using the Field II toolbox of MATLAB in simulation study. In experiments, plane-wave compounding images were obtained from a 256 channel ultrasound research platform with a 40 MHz array transducer. All images were produced by point-spread functions and cyst phantoms. The in vivo experiment was performed from zebrafish. Since high-frequency ultrasound exhibits a lower penetration, chirp excitation was applied to increase the imaging depth in simulation. The simulation results showed that a lateral resolution of up to 66.93 μm and a contrast of up to 56.41 dB were achieved when using 75-angles plane waves in compounding imaging. The experimental results showed that a lateral resolution of up to 74.83 μm and a contrast of up to 44.62 dB were achieved when using 75-angles plane waves in compounding imaging. The dead zone and compounding noise are about 1.2 mm and 2.0 mm in depth for experimental compounding imaging, respectively. The structure of zebrafish heart was observed clearly using plane-wave compounding imaging. The use of fewer than 23 angles for compounding allowed a frame rate higher than 1000 frames per second. However, the compounding imaging exhibits a similar lateral resolution of about 72 μm as the angle of plane wave is higher than 10 angles. This study shows the highest operational frequency for ultrafast high-frame-rate ultrasound imaging. © 2017 American Association of Physicists in Medicine.

Parallelization of the FLAPW method

NASA Astrophysics Data System (ADS)

Canning, A.; Mannstadt, W.; Freeman, A. J.

2000-08-01

The FLAPW (full-potential linearized-augmented plane-wave) method is one of the most accurate first-principles methods for determining structural, electronic and magnetic properties of crystals and surfaces. Until the present work, the FLAPW method has been limited to systems of less than about a hundred atoms due to the lack of an efficient parallel implementation to exploit the power and memory of parallel computers. In this work, we present an efficient parallelization of the method by division among the processors of the plane-wave components for each state. The code is also optimized for RISC (reduced instruction set computer) architectures, such as those found on most parallel computers, making full use of BLAS (basic linear algebra subprograms) wherever possible. Scaling results are presented for systems of up to 686 silicon atoms and 343 palladium atoms per unit cell, running on up to 512 processors on a CRAY T3E parallel supercomputer.

Calculation of periodic flows in a continuously stratified fluid

NASA Astrophysics Data System (ADS)

Vasiliev, A.

2012-04-01

Analytic theory of disturbances generated by an oscillating compact source in a viscous continuously stratified fluid was constructed. Exact solution of the internal waves generation problem was constructed taking into account diffusivity effects. This analysis is based on set of fundamental equations of incompressible flows. The linearized problem of periodic flows in a continuously stratified fluid, generated by an oscillating part of the inclined plane was solved by methods of singular perturbation theory. A rectangular or disc placed on a sloping plane and oscillating linearly in an arbitrary direction was selected as a source of disturbances. The solutions include regularly perturbed on dissipative component functions describing internal waves and a family of singularly perturbed functions. One of the functions from the singular components family has an analogue in a homogeneous fluid that is a periodic or Stokes' flow. Its thickness is defined by a universal micro scale depending on kinematics viscosity coefficient and a buoyancy frequency with a factor depending on the wave slope. Other singular perturbed functions are specific for stratified flows. Their thickness are defined the diffusion coefficient, kinematic viscosity and additional factor depending on geometry of the problem. Fields of fluid density, velocity, vorticity, pressure, energy density and flux as well as forces acting on the source are calculated for different types of the sources. It is shown that most effective source of waves is the bi-piston. Complete 3D problem is transformed in various limiting cases that are into 2D problem for source in stratified or homogeneous fluid and the Stokes problem for an oscillating infinite plane. The case of the "critical" angle that is equality of the emitting surface and the wave cone slope angles needs in separate investigations. In this case, the number of singular component is saved. Patterns of velocity and density fields were constructed and analyzed by methods of computational mathematics. Singular components of the solution affect the flow pattern of the inhomogeneous stratified fluid, not only near the source of the waves, but at a large distance. Analytical calculations of the structure of wave beams are matched with laboratory experiments. Some deviations at large distances from the source are formed due to the contribution of background wave field associated with seiches in the laboratory tank. In number of the experiments vortices with closed contours were observed on some distances from the disk. The work was supported by Ministry of Education and Science RF (Goscontract No. 16.518.11.7059), experiments were performed on set up USU "HPC IPMec RAS".

Evaluation of Density Functionals and Basis Sets for Carbohydrates

USDA-ARS?s Scientific Manuscript database

Correlated ab initio wave function calculations using MP2/aug-cc-pVTZ model chemistry have been performed for three test sets of gas phase saccharide conformations to provide reference values for their relative energies. The test sets consist of 15 conformers of alpha and beta-D-allopyranose, 15 of ...

A wideband fast multipole boundary element method for half-space/plane-symmetric acoustic wave problems

NASA Astrophysics Data System (ADS)

Zheng, Chang-Jun; Chen, Hai-Bo; Chen, Lei-Lei

2013-04-01

This paper presents a novel wideband fast multipole boundary element approach to 3D half-space/plane-symmetric acoustic wave problems. The half-space fundamental solution is employed in the boundary integral equations so that the tree structure required in the fast multipole algorithm is constructed for the boundary elements in the real domain only. Moreover, a set of symmetric relations between the multipole expansion coefficients of the real and image domains are derived, and the half-space fundamental solution is modified for the purpose of applying such relations to avoid calculating, translating and saving the multipole/local expansion coefficients of the image domain. The wideband adaptive multilevel fast multipole algorithm associated with the iterative solver GMRES is employed so that the present method is accurate and efficient for both lowand high-frequency acoustic wave problems. As for exterior acoustic problems, the Burton-Miller method is adopted to tackle the fictitious eigenfrequency problem involved in the conventional boundary integral equation method. Details on the implementation of the present method are described, and numerical examples are given to demonstrate its accuracy and efficiency.

Experimental Study on Ultrasonic Computed Tomography Using Transducers Arrayed on the Internal Surface of a Cylinder

NASA Astrophysics Data System (ADS)

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

2005-06-01

In this study, ultrasonic array transducers with 32 vibrators arranged on the internal surface of a part of a cylinder were fabricated. The vibrators were operated by the piezoelectric transverse effect. By controlling the phase of the input signal for every vibrator, a quasi plane wave was synthesized. Using the fabricated array, inverse scattering ultrasonic computed tomography (UCT) was carried out with a phantom specimen after checking the plane wave generation. It was confirmed that the plane wave was synthesized successfully and a sound velocity image of the phantom was obtained by the plane wave. Consequently, it was noted that the array could be employed as a transmitter and receiver for data acquisition in UCT.

Amplitudes on plane waves from ambitwistor strings

NASA Astrophysics Data System (ADS)

Adamo, Tim; Casali, Eduardo; Mason, Lionel; Nekovar, Stefan

2017-11-01

In marked contrast to conventional string theory, ambitwistor strings remain solvable worldsheet theories when coupled to curved background fields. We use this fact to consider the quantization of ambitwistor strings on plane wave metric and plane wave gauge field backgrounds. In each case, the worldsheet model is anomaly free as a consequence of the background satisfying the field equations. We derive vertex operators (in both fixed and descended picture numbers) for gravitons and gluons on these backgrounds from the worldsheet CFT, and study the 3-point functions of these vertex operators on the Riemann sphere. These worldsheet correlation functions reproduce the known results for 3-point scattering amplitudes of gravitons and gluons in gravitational and gauge theoretic plane wave backgrounds, respectively.

The pressure distribution for biharmonic transmitting array: theoretical study

NASA Astrophysics Data System (ADS)

Baranowska, A.

2005-03-01

The aim of the paper is theoretical analysis of the finite amplitude waves interaction problem for the biharmonic transmitting array. We assume that the array consists of 16 circular pistons of the same dimensions that regrouped in two sections. Two different arrangements of radiating elements were considered. In this situation the radiating surface is non-continuous without axial symmetry. The mathematical model was built on the basis of the Khokhlov - Zabolotskaya - Kuznetsov (KZK) equation. To solve the problem the finite-difference method was applied. On-axis pressure amplitude for different frequency waves as a function of distance from the source, transverse pressure distribution of these waves at fixed distances from the source and pressure amplitude distribution for them at fixed planes were examined. Especially changes of normalized pressure amplitude for difference frequency were studied. The paper presents mathematical model and some results of theoretical investigations obtained for different values of source parameters.

A new class of exact solutions of the Klein-Gordon equation of a charged particle interacting with an electromagnetic plane wave in a medium

NASA Astrophysics Data System (ADS)

Varró, Sándor

2014-01-01

Exact solutions are presented of the Klein-Gordon equation of a charged particle moving in a transverse monochromatic plasmon wave of arbitrary high amplitude, which propagates in an underdense plasma. These solutions are expressed in terms of Ince polynomials, forming a doubly infinite set, parametrized by discrete momentum components of the charged particle’s de Broglie wave along the polarization vector and along the propagation direction of the plasmon radiation. The envelope of the exact wavefunctions describes a high-contrast periodic structure of the particle density on the plasma length scale, which may have relevance in novel particle acceleration mechanisms.

Acoustic methods for cavitation mapping in biomedical applications

NASA Astrophysics Data System (ADS)

Wan, M.; Xu, S.; Ding, T.; Hu, H.; Liu, R.; Bai, C.; Lu, S.

2015-12-01

In recent years, cavitation is increasingly utilized in a wide range of applications in biomedical field. Monitoring the spatial-temporal evolution of cavitation bubbles is of great significance for efficiency and safety in biomedical applications. In this paper, several acoustic methods for cavitation mapping proposed or modified on the basis of existing work will be presented. The proposed novel ultrasound line-by-line/plane-by-plane method can depict cavitation bubbles distribution with high spatial and temporal resolution and may be developed as a potential standard 2D/3D cavitation field mapping method. The modified ultrafast active cavitation mapping based upon plane wave transmission and reception as well as bubble wavelet and pulse inversion technique can apparently enhance the cavitation to tissue ratio in tissue and further assist in monitoring the cavitation mediated therapy with good spatial and temporal resolution. The methods presented in this paper will be a foundation to promote the research and development of cavitation imaging in non-transparent medium.

Normal modes and mode transformation of pure electron vortex beams

PubMed Central

Thirunavukkarasu, G.; Mousley, M.; Babiker, M.

2017-01-01

Electron vortex beams constitute the first class of matter vortex beams which are currently routinely produced in the laboratory. Here, we briefly review the progress of this nascent field and put forward a natural quantum basis set which we show is suitable for the description of electron vortex beams. The normal modes are truncated Bessel beams (TBBs) defined in the aperture plane or the Fourier transform of the transverse structure of the TBBs (FT-TBBs) in the focal plane of a lens with the said aperture. As these modes are eigenfunctions of the axial orbital angular momentum operator, they can provide a complete description of the two-dimensional transverse distribution of the wave function of any electron vortex beam in such a system, in analogy with the prominent role Laguerre–Gaussian (LG) beams played in the description of optical vortex beams. The characteristics of the normal modes of TBBs and FT-TBBs are described, including the quantized orbital angular momentum (in terms of the winding number l) and the radial index p>0. We present the experimental realization of such beams using computer-generated holograms. The mode analysis can be carried out using astigmatic transformation optics, demonstrating close analogy with the astigmatic mode transformation between LG and Hermite–Gaussian beams. This article is part of the themed issue ‘Optical orbital angular momentum’. PMID:28069769

Normal modes and mode transformation of pure electron vortex beams.

PubMed

Thirunavukkarasu, G; Mousley, M; Babiker, M; Yuan, J

2017-02-28

Electron vortex beams constitute the first class of matter vortex beams which are currently routinely produced in the laboratory. Here, we briefly review the progress of this nascent field and put forward a natural quantum basis set which we show is suitable for the description of electron vortex beams. The normal modes are truncated Bessel beams (TBBs) defined in the aperture plane or the Fourier transform of the transverse structure of the TBBs (FT-TBBs) in the focal plane of a lens with the said aperture. As these modes are eigenfunctions of the axial orbital angular momentum operator, they can provide a complete description of the two-dimensional transverse distribution of the wave function of any electron vortex beam in such a system, in analogy with the prominent role Laguerre-Gaussian (LG) beams played in the description of optical vortex beams. The characteristics of the normal modes of TBBs and FT-TBBs are described, including the quantized orbital angular momentum (in terms of the winding number l) and the radial index p>0. We present the experimental realization of such beams using computer-generated holograms. The mode analysis can be carried out using astigmatic transformation optics, demonstrating close analogy with the astigmatic mode transformation between LG and Hermite-Gaussian beams.This article is part of the themed issue 'Optical orbital angular momentum'. © 2017 The Author(s).

Generation of remote adaptive torsional shear waves with an octagonal phased array to enhance displacements and reduce variability of shear wave speeds: comparison with quasi-plane shear wavefronts.

PubMed

Ouared, Abderrahmane; Montagnon, Emmanuel; Cloutier, Guy

2015-10-21

A method based on adaptive torsional shear waves (ATSW) is proposed to overcome the strong attenuation of shear waves generated by a radiation force in dynamic elastography. During the inward propagation of ATSW, the magnitude of displacements is enhanced due to the convergence of shear waves and constructive interferences. The proposed method consists in generating ATSW fields from the combination of quasi-plane shear wavefronts by considering a linear superposition of displacement maps. Adaptive torsional shear waves were experimentally generated in homogeneous and heterogeneous tissue mimicking phantoms, and compared to quasi-plane shear wave propagations. Results demonstrated that displacement magnitudes by ATSW could be up to 3 times higher than those obtained with quasi-plane shear waves, that the variability of shear wave speeds was reduced, and that the signal-to-noise ratio of displacements was improved. It was also observed that ATSW could cause mechanical inclusions to resonate in heterogeneous phantoms, which further increased the displacement contrast between the inclusion and the surrounding medium. This method opens a way for the development of new noninvasive tissue characterization strategies based on ATSW in the framework of our previously reported shear wave induced resonance elastography (SWIRE) method proposed for breast cancer diagnosis.

Ultrafast Ultrasound Imaging of Ocular Anatomy and Blood Flow

PubMed Central

Urs, Raksha; Ketterling, Jeffrey A.; Silverman, Ronald H.

2016-01-01

Purpose Ophthalmic ultrasound imaging is currently performed with mechanically scanned single-element probes. These probes have limited capabilities overall and lack the ability to image blood flow. Linear-array systems are able to detect blood flow, but these systems exceed ophthalmic acoustic intensity safety guidelines. Our aim was to implement and evaluate a new linear-array–based technology, compound coherent plane-wave ultrasound, which offers ultrafast imaging and depiction of blood flow at safe acoustic intensity levels. Methods We compared acoustic intensity generated by a 128-element, 18-MHz linear array operated in conventionally focused and plane-wave modes and characterized signal-to-noise ratio (SNR) and lateral resolution. We developed plane-wave B-mode, real-time color-flow, and high-resolution depiction of slow flow in postprocessed data collected continuously at a rate of 20,000 frames/s. We acquired in vivo images of the posterior pole of the eye by compounding plane-wave images acquired over ±10° and produced images depicting orbital and choroidal blood flow. Results With the array operated conventionally, Doppler modes exceeded Food and Drug Administration safety guidelines, but plane-wave modalities were well within guidelines. Plane-wave data allowed generation of high-quality compound B-mode images, with SNR increasing with the number of compounded frames. Real-time color-flow Doppler readily visualized orbital blood flow. Postprocessing of continuously acquired data blocks of 1.6-second duration allowed high-resolution depiction of orbital and choroidal flow over the cardiac cycle. Conclusions Newly developed high-frequency linear arrays in combination with plane-wave techniques present opportunities for the evaluation of ocular anatomy and blood flow, as well as visualization and analysis of other transient phenomena such as vessel wall motion over the cardiac cycle and saccade-induced vitreous motion. PMID:27428169

Application of the wavenumber jump condition to the normal and oblique interaction of a plane acoustic wave and a plane shock

NASA Technical Reports Server (NTRS)

Kleinstein, G. G.; Gunzburger, M. D.

1977-01-01

The kinematics of normal and oblique interactions between a plane acoustic wave and a plane shock wave are investigated separately using an approach whereby the shock is considered as a sharp discontinuity surface separating two half-spaces, so that the dispersion relation on either side of the shock and the wavenumber jump condition across a discontinuity surface completely specify the kinematics of the problem in the whole space independently of the acoustic-field dynamics. The normal interaction is analyzed for a stationary shock, and the spectral change of the incident wave is investigated. The normal interaction is then examined for the case of a shock wave traveling into an ambient region where an acoustic disturbance is propagating in the opposite direction. Detailed attention is given to the consequences of the existence of a critical shock speed above which the frequency of the transmitted wave becomes negative. Finally, the oblique interaction with a fixed shock is considered, and the existence and nature of the transmitted wave is investigated, particularly as a function of the angle of incidence.

Damage detection in composite panels based on mode-converted Lamb waves sensed using 3D laser scanning vibrometer

NASA Astrophysics Data System (ADS)

Pieczonka, Łukasz; Ambroziński, Łukasz; Staszewski, Wiesław J.; Barnoncel, David; Pérès, Patrick

2017-12-01

This paper introduces damage identification approach based on guided ultrasonic waves and 3D laser Doppler vibrometry. The method is based on the fact that the symmetric and antisymmetric Lamb wave modes differ in amplitude of the in-plane and out-of-plane vibrations. Moreover, the modes differ also in group velocities and normally they are well separated in time. For a given time window both modes can occur simultaneously only close to the wave source or to a defect that leads to mode conversion. By making the comparison between the in-plane and out-of-plane wave vector components the detection of mode conversion is possible, allowing for superior and reliable damage detection. Experimental verification of the proposed damage identification procedure is performed on fuel tank elements of Reusable Launch Vehicles designed for space exploration. Lamb waves are excited using low-profile, surface-bonded piezoceramic transducers and 3D scanning laser Doppler vibrometer is used to characterize the Lamb wave propagation field. The paper presents theoretical background of the proposed damage identification technique as well as experimental arrangements and results.

Plane waves and structures in turbulent channel flow

NASA Technical Reports Server (NTRS)

Sirovich, L.; Ball, K. S.; Keefe, L. R.

1990-01-01

A direct simulation of turbulent flow in a channel is analyzed by the method of empirical eigenfunctions (Karhunen-Loeve procedure, proper orthogonal decomposition). This analysis reveals the presence of propagating plane waves in the turbulent flow. The velocity of propagation is determined by the flow velocity at the location of maximal Reynolds stress. The analysis further suggests that the interaction of these waves appears to be essential to the local production of turbulence via bursting or sweeping events in the turbulent boundary layer, with the additional suggestion that the fast acting plane waves act as triggers.

Projected Hybrid Orbitals: A General QM/MM Method

PubMed Central

2015-01-01

A projected hybrid orbital (PHO) method was described to model the covalent boundary in a hybrid quantum mechanical and molecular mechanical (QM/MM) system. The PHO approach can be used in ab initio wave function theory and in density functional theory with any basis set without introducing system-dependent parameters. In this method, a secondary basis set on the boundary atom is introduced to formulate a set of hybrid atomic orbtials. The primary basis set on the boundary atom used for the QM subsystem is projected onto the secondary basis to yield a representation that provides a good approximation to the electron-withdrawing power of the primary basis set to balance electronic interactions between QM and MM subsystems. The PHO method has been tested on a range of molecules and properties. Comparison with results obtained from QM calculations on the entire system shows that the present PHO method is a robust and balanced QM/MM scheme that preserves the structural and electronic properties of the QM region. PMID:25317748

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)

Control of Love waves by resonant metasurfaces.

PubMed

Palermo, Antonio; Marzani, Alessandro

2018-05-08

Metasurfaces of mechanical resonators have been successfully used to control in-plane polarized surface waves for filtering, waveguiding and lensing applications across different length scales. In this work, we extend the concept of metasurfaces to anti-plane surface waves existing in semi-infinite layered media, generally known as Love waves. By means of an effective medium approach, we derive an original closed-form dispersion relation for the metasurface. This relation reveals the possibility to control the Love waves dispersive properties by varying the resonators mechanical parameters. We exploit this capability to manipulate the metasurface refractive index and design two gradient index (GRIN) metalenses, i.e. a Luneburg lens and a Maxwell lens. We confirm the performance of the designed lenses using full 3D finite element simulations. Our work demonstrates the possibility of realizing wave control devices for anti-plane waves.

Plane wave gravitons, curvature singularities and string physics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brooks, R.

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.

Bumps of the wave structure function in non-Kolmogorov turbulence

NASA Astrophysics Data System (ADS)

Qiao, Chunhong; Lu, Lu; Zhang, Pengfei; Wang, Haitao; Huang, Honghua; Fan, Chengyu

2015-10-01

The analytical expressions for wave structure function of plane and spherical waves are derived both in the viscous dissipation and inertial range. Due to previously research, there is a discrepancy between theoretical results and the experimental datum in viscous dissipation range. In this paper, only considering the inertial range, taking plane waves for example, we give a comparison of results of WSF calculated by the analytical formula obtained in this paper and the numerical calculations of the definition at the fixed parameter (i.e., the generalized exponent α), it can be seen that the two results are in agreement with each other exactly. Based on non-Kolmogorov power spectrum, new characteristics for wave structure function (WSF) have been found for plane and spherical wave models when the different ratio of inner scale l0 and outer scale of turbulence L0 is obtained. In outer scale assumed finite case (i.e., L0 =1m), WSF obtains the maximum when α approximates to 3.3 both for plane and spherical wave models. In outer scale assumed infinite case (i.e., L0 = ∞), the WSF can be sorted into three parts, including two rapid-rising regions (i.e., 3.0 < α < 3.3 and 3.8 < α < 4.0 ) and one gently rising region (i.e., 3.3 < α < 3.8 ).Further, the changes of scaled WSF versus the ratio of separation distance and inner scale ( p/ l0 ) are investigated under mentioned above conditions for two models. In L0 = 1m case, both for plane and spherical waves, the value of α determines the bump position of WSF. In L0 = ∞ case, the bump of scaled WSF disappears when the generalized exponent has large values. The changings of scaled WSF monotonically increase as α increased when the generalized exponent is larger than11/3 for two models. Besides, the properties of spherical waves are similar to plane waves, except which the values of WSF and the scaled WSF are smaller than plane ones.

Study of dispersive and nonlinear effects of coastal wave dynamics with a fully nonlinear potential flow model

NASA Astrophysics Data System (ADS)

Benoit, Michel; Yates, Marissa L.; Raoult, Cécile

2017-04-01

Efficient and accurate numerical models simulating wave propagation are required for a variety of engineering projects including the evaluation of coastal risks, the design of protective coastal structures, and the estimation of the potential for marine renewable energy devices. Nonlinear and dispersive effects are particularly significant in the coastal zone where waves interact with the bottom, the shoreline, and coastal structures. The main challenge in developing a numerical models is finding a compromise between computational efficiency and the required accuracy of the simulated wave field. Here, a potential approach is selected and the (fully nonlinear) water wave problem is formulated using the Euler-Zakharov equations (Zakharov, 1968) describing the temporal evolution of the free surface elevation and velocity potential. The proposed model (Yates and Benoit, 2015) uses a spectral approach in the vertical (i.e. the vertical variation of the potential is approximated by a linear combination of the first NT+1 Chebyshev polynomials, following the work of Tian and Sato (2008)). The Zakharov equations are integrated in time using a fourth-order Runge-Kutta scheme with a constant time step. At each sub-timestep, the Laplace Boundary Value Problem (BVP) is solved to estimate the free surface vertical velocity using the spectral approach, with typical values of NT between 5 to 8 for practical applications. The 1DH version of the code is validated with comparisons to the experimental data set of Becq-Girard et al. (1999), which studied the propagation of irregular waves over a beach profile with a submerged bar. The nonlinear and dispersive capacities of the model are verified with the correct representation of wave-wave interactions, in particular the transfer of energy between different harmonic components during wave propagation (analysis of the transformation of the variance spectrum along the channel). Evolution of wave skewness, asymmetry and kurtosis along the bathymetric profile also compare well with the measured values. The statistical distributions of the free surface elevation and wave height, calculated from the simulated time series, are compared to those of the measurements, with particular attention paid to the extreme waves. To use this model for realistic cases with complex bathymetric variations and multidirectional wave fields, the model has been extended to two horizontal dimensions (2DH). The spectral approach in the vertical dimension is retained, while the horizontal plane is discretized with scattered nodes to maintain the model's flexibility. The horizontal derivatives are estimated with finite-difference type formulas using Radial Basis Functions (Wright and Fornberg, 2006). The 2DH version of the code is applied to simulate the propagation of regular waves over a semi-circular step, which acts as a focusing lens. The simulation results are compared to the experimental data set of Whalin (1971). The evolution of the higher harmonic amplitudes in the shallow-water zone demonstrates the ability of the model to simulate wave propagation over complex 2DH coastal bathymetries. References: Becq-Girard F., Forget P., Benoit M. (1999) Non-linear propagation of unidirectional wave fields over varying topography. Coastal Eng., 38, 91-113. Tian Y., Sato S. (2008) A numerical model on the interaction between nearshore nonlinear waves and strong currents. Coast. Eng. Journal, 50(4), 369-395. Whalin R.W. (1971) The limit of applicability of linear wave refraction theory in a convergence zone. Technical report, DTIC Documents. Wright G.B., Fornberg B. (2006) Scattered node compact finite difference-type formulas generated from radial basis functions. J. Comp. Phys., 212, 99-123. Yates M.L., Benoit M. (2015) Accuracy and efficiency of two numerical methods of solving the potential flow problem for highly nonlinear and dispersive water waves. Int. J. Numer. Meth. Fluids, 77, 616-640. Zakharov V.E. (1968) Stability of periodic waves of finite amplitude on the surface of a deep fluid. J. Appl. Mech. Tech. Phys., 9(2), 190-194.

Propagation of magnetostatic spin waves in an yttrium iron garnet film for out-of-plane magnetic fields

NASA Astrophysics Data System (ADS)

Bang, Wonbae; Lim, Jinho; Trossman, Jonathan; Tsai, C. C.; Ketterson, John B.

2018-06-01

We have observed the propagation of spin waves across a thin yttrium iron garnet film on (1 1 1) gadolinium gallium garnet for magnetic fields inclined with respect to the film plane. Two principle planes were studied: that for H in the plane defined by the wave vector k and the plane normal, n, with limiting forms corresponding to the Backward Volume and Forward Volume modes, and that for H in the plane perpendicular to k, with limiting forms corresponding to the Damon-Eshbach and Forward Volume modes. By exciting the wave at one edge of the film and observing the field dependence of the phase of the received signal at the opposing edge we determined the frequency vs. wavevector relation, ω = ω (k), of various propagating modes in the film. Avoided crossings are observed in the Damon-Eshbach and Forward Volume regimes when the propagating mode intersects the higher, exchange split, volume modes, leading to an extinction of the propagating mode; analysis of the resulting behavior allows a determination of the exchange parameter. The experimental results are compared with theoretical simulations.

The Relativistic Wave Vector

ERIC Educational Resources Information Center

Houlrik, Jens Madsen

2009-01-01

The Lorentz transformation applies directly to the kinematics of moving particles viewed as geometric points. Wave propagation, on the other hand, involves moving planes which are extended objects defined by simultaneity. By treating a plane wave as a geometric object moving at the phase velocity, novel results are obtained that illustrate the…

An anisotropic lens for transitioning plane waves between media of different permittivities

NASA Astrophysics Data System (ADS)

Stone, Alexander P.; Baum, Carl E.

1988-11-01

A particularly simple geometry is considered in which an inhomogeneous and anisotropic lens is specified for the transition of plane waves between media of different permittivities. The permittivities of the regions outside of the lens can be constant, but the permittivity of the lens region depends on position. Results are presented for a plane wave in the second medium propagating normally to the assumed plane boundary of that medium. The results for the case of normal incidence are then generalized to the case of nonnormal incidence. The conditions of transit time conservation and impedance matching are related to the Brewster angle.

Helicons in uniform fields. I. Wave diagnostics with hodograms

NASA Astrophysics Data System (ADS)

Urrutia, J. M.; Stenzel, R. L.

2018-03-01

The wave equation for whistler waves is well known and has been solved in Cartesian and cylindrical coordinates, yielding plane waves and cylindrical waves. In space plasmas, waves are usually assumed to be plane waves; in small laboratory plasmas, they are often assumed to be cylindrical "helicon" eigenmodes. Experimental observations fall in between both models. Real waves are usually bounded and may rotate like helicons. Such helicons are studied experimentally in a large laboratory plasma which is essentially a uniform, unbounded plasma. The waves are excited by loop antennas whose properties determine the field rotation and transverse dimensions. Both m = 0 and m = 1 helicon modes are produced and analyzed by measuring the wave magnetic field in three dimensional space and time. From Ampère's law and Ohm's law, the current density and electric field vectors are obtained. Hodograms for these vectors are produced. The sign ambiguity of the hodogram normal with respect to the direction of wave propagation is demonstrated. In general, electric and magnetic hodograms differ but both together yield the wave vector direction unambiguously. Vector fields of the hodogram normal yield the phase flow including phase rotation for helicons. Some helicons can have locally a linear polarization which is identified by the hodogram ellipticity. Alternatively the amplitude oscillation in time yields a measure for the wave polarization. It is shown that wave interference produces linear polarization. These observations emphasize that single point hodogram measurements are inadequate to determine the wave topology unless assuming plane waves. Observations of linear polarization indicate wave packets but not plane waves. A simple qualitative diagnostics for the wave polarization is the measurement of the magnetic field magnitude in time. Circular polarization has a constant amplitude; linear polarization results in amplitude modulations.

A new basis set for molecular bending degrees of freedom.

PubMed

Jutier, Laurent

2010-07-21

We present a new basis set as an alternative to Legendre polynomials for the variational treatment of bending vibrational degrees of freedom in order to highly reduce the number of basis functions. This basis set is inspired from the harmonic oscillator eigenfunctions but is defined for a bending angle in the range theta in [0:pi]. The aim is to bring the basis functions closer to the final (ro)vibronic wave functions nature. Our methodology is extended to complicated potential energy surfaces, such as quasilinearity or multiequilibrium geometries, by using several free parameters in the basis functions. These parameters allow several density maxima, linear or not, around which the basis functions will be mainly located. Divergences at linearity in integral computations are resolved as generalized Legendre polynomials. All integral computations required for the evaluation of molecular Hamiltonian matrix elements are given for both discrete variable representation and finite basis representation. Convergence tests for the low energy vibronic states of HCCH(++), HCCH(+), and HCCS are presented.

Nonreciprocal acoustics and dynamics in the in-plane oscillations of a geometrically nonlinear lattice.

PubMed

Zhang, Zhen; Koroleva, I; Manevitch, L I; Bergman, L A; Vakakis, A F

2016-09-01

We study the dynamics and acoustics of a nonlinear lattice with fixed boundary conditions composed of a finite number of particles coupled by linear springs, undergoing in-plane oscillations. The source of the strongly nonlinearity of this lattice is geometric effects generated by the in-plane stretching of the coupling linear springs. It has been shown that in the limit of low energy the lattice gives rise to a strongly nonlinear acoustic vacuum, which is a medium with zero speed of sound as defined in classical acoustics. The acoustic vacuum possesses strongly nonlocal coupling effects and an orthogonal set of nonlinear standing waves [or nonlinear normal modes (NNMs)] with mode shapes identical to those of the corresponding linear lattice; in contrast to the linear case, however, all NNMs except the one with the highest wavelength are unstable. In addition, the lattice supports two types of waves, namely, nearly linear sound waves (termed "L waves") corresponding to predominantly axial oscillations of the particles and strongly nonlinear localized propagating pulses (termed "NL pulses") corresponding to predominantly transverse oscillating wave packets of the particles with localized envelopes. We show the existence of nonlinear nonreciprocity phenomena in the dynamics and acoustics of the lattice. Two opposite cases are examined in the limit of low energy. The first gives rise to nonreciprocal dynamics and corresponds to collective, spatially extended transverse loading of the lattice leading to the excitation of individual, predominantly transverse NNMs, whereas the second case gives rise to nonreciprocal acoutics by considering the response of the lattice to spatially localized, transverse impulse or displacement excitations. We demonstrate intense and recurring energy exchanges between a directly excited NNM and other NNMs with higher wave numbers, so that nonreciprocal energy exchanges from small-to-large wave numbers are established. Moreover, we show the existence of nonreciprocal wave interaction phenomena in the form of irreversible targeted energy transfers from L waves to NL pulses during collisions of these two types of waves. Additional nonreciprocal acoustics are found in the form of complex "cascading processes, as well as nonreciprocal interactions between L waves and stationary discrete breathers. The computational studies confirm the theoretically predicted transition of the lattice dynamics to a low-energy state of nonlinear acoustic vacum with strong nonlocality.

Geometrical optics in the near field: local plane-interface approach with evanescent waves.

PubMed

Bose, Gaurav; Hyvärinen, Heikki J; Tervo, Jani; Turunen, Jari

2015-01-12

We show that geometrical models may provide useful information on light propagation in wavelength-scale structures even if evanescent fields are present. We apply a so-called local plane-wave and local plane-interface methods to study a geometry that resembles a scanning near-field microscope. We show that fair agreement between the geometrical approach and rigorous electromagnetic theory can be achieved in the case where evanescent waves are required to predict any transmission through the structure.

Existence and Stability of Spatial Plane Waves for the Incompressible Navier-Stokes in R^3

NASA Astrophysics Data System (ADS)

Correia, Simão; Figueira, Mário

2018-03-01

We consider the three-dimensional incompressible Navier-Stokes equation on the whole space. We observe that this system admits a L^∞ family of global spatial plane wave solutions, which are connected with the two-dimensional equation. We then proceed to prove local well-posedness over a space which includes L^3(R^3) and these solutions. Finally, we prove L^3-stability of spatial plane waves, with no condition on their size.

Exciting surface plasmon polaritons in the Kretschmann configuration by a light beam

NASA Astrophysics Data System (ADS)

Vinogradov, A. P.; Dorofeenko, A. V.; Pukhov, A. A.; Lisyansky, A. A.

2018-06-01

We consider exciting surface plasmon polaritons in the Kretschmann configuration. Contrary to common belief, we show that a plane-wave incident at an angle greater than the angle of total internal reflection does not excite surface plasmon polaritons. These excitations do arise, however, if the incident light forms a narrow beam composed of an infinite number of plane waves. The surface plasmon polariton is formed at the geometrical edge of the beam as a result of interference of reflected plane waves.

Multiplane wave imaging increases signal-to-noise ratio in ultrafast ultrasound imaging.

PubMed

Tiran, Elodie; Deffieux, Thomas; Correia, Mafalda; Maresca, David; Osmanski, Bruno-Felix; Sieu, Lim-Anna; Bergel, Antoine; Cohen, Ivan; Pernot, Mathieu; Tanter, Mickael

2015-11-07

Ultrafast imaging using plane or diverging waves has recently enabled new ultrasound imaging modes with improved sensitivity and very high frame rates. Some of these new imaging modalities include shear wave elastography, ultrafast Doppler, ultrafast contrast-enhanced imaging and functional ultrasound imaging. Even though ultrafast imaging already encounters clinical success, increasing even more its penetration depth and signal-to-noise ratio for dedicated applications would be valuable. Ultrafast imaging relies on the coherent compounding of backscattered echoes resulting from successive tilted plane waves emissions; this produces high-resolution ultrasound images with a trade-off between final frame rate, contrast and resolution. In this work, we introduce multiplane wave imaging, a new method that strongly improves ultrafast images signal-to-noise ratio by virtually increasing the emission signal amplitude without compromising the frame rate. This method relies on the successive transmissions of multiple plane waves with differently coded amplitudes and emission angles in a single transmit event. Data from each single plane wave of increased amplitude can then be obtained, by recombining the received data of successive events with the proper coefficients. The benefits of multiplane wave for B-mode, shear wave elastography and ultrafast Doppler imaging are experimentally demonstrated. Multiplane wave with 4 plane waves emissions yields a 5.8  ±  0.5 dB increase in signal-to-noise ratio and approximately 10 mm in penetration in a calibrated ultrasound phantom (0.7 d MHz(-1) cm(-1)). In shear wave elastography, the same multiplane wave configuration yields a 2.07  ±  0.05 fold reduction of the particle velocity standard deviation and a two-fold reduction of the shear wave velocity maps standard deviation. In functional ultrasound imaging, the mapping of cerebral blood volume results in a 3 to 6 dB increase of the contrast-to-noise ratio in deep structures of the rodent brain.

The elliptical Gaussian wave transformation due to diffraction by an elliptical hologram

NASA Astrophysics Data System (ADS)

Janicijevic, L.

1985-03-01

Realized as an interferogram of a spherical and a cylindrical wave, the elliptical hologram is treated as a plane diffracting grating which produces Fresnel diffraction of a simple astigmatic Gaussian incident wave. It is shown that if the principal axes of the incident beam coincide with the principal axes of the hologram, the diffracted wave field is composed of three different astigmatic Gaussian waves, with their waists situated in parallel but distinct planes. The diffraction pattern, observed on a transverse screen, is the result of the interference of the three diffracted wave components. It consists of three systems of overlapped second-order curves, whose shape depends on the distance of the observation screen from the hologram, as well as on the parameters of the incident wave beam and the hologram. The results are specialized for gratings in the form of circular and linear holograms and for the case of a stigmatic Gaussian incident wave, as well as for the normal plane-wave incidence on the three mentioned types of hologram.

Infinite hierarchy of nonlinear Schrödinger equations and their solutions.

PubMed

Ankiewicz, A; Kedziora, D J; Chowdury, A; Bandelow, U; Akhmediev, N

2016-01-01

We study the infinite integrable nonlinear Schrödinger equation hierarchy beyond the Lakshmanan-Porsezian-Daniel equation which is a particular (fourth-order) case of the hierarchy. In particular, we present the generalized Lax pair and generalized soliton solutions, plane wave solutions, Akhmediev breathers, Kuznetsov-Ma breathers, periodic solutions, and rogue wave solutions for this infinite-order hierarchy. We find that "even- order" equations in the set affect phase and "stretching factors" in the solutions, while "odd-order" equations affect the velocities. Hence odd-order equation solutions can be real functions, while even-order equation solutions are always complex.

FUNDAMENTAL AREAS OF PHENOMENOLOGY(INCLUDING APPLICATIONS): Experimental Investigation of Quality of Lensless Ghost Imaging with Pseudo-Thermal Light

NASA Astrophysics Data System (ADS)

Shen, Xia; Bai, Yan-Feng; Qin, Tao; Han, Shen-Sheng

2008-11-01

Factors influencing the quality of lensless ghost imaging are investigated. According to the experimental results, we find that the imaging quality is determined by the number of independent sub light sources on the imaging plane of the reference arm. A qualitative picture based on advanced wave optics is presented to explain the physics behind the experimental phenomena. The present results will be helpful to provide a basis for improving the quality of ghost imaging systems in future works.

Balancing fast-rotating parts of hand-held machine drive

NASA Astrophysics Data System (ADS)

Korotkov, V. S.; Sicora, E. A.; Nadeina, L. V.; Yongzheng, Wang

2018-03-01

The article considers the issues related to the balancing of fast rotating parts of the hand-held machine drive including a wave transmission with intermediate rolling elements, which is constructed on the basis of the single-phase collector motor with a useful power of 1 kW and a nominal rotation frequency of 15000 rpm. The forms of balancers and their location are chosen. The method of balancing is described. The scheme for determining of residual unbalance in two correction planes is presented. Measurement results are given in tables.

Isotropic transmission of magnon spin information without a magnetic field.

PubMed

Haldar, Arabinda; Tian, Chang; Adeyeye, Adekunle Olusola

2017-07-01

Spin-wave devices (SWD), which use collective excitations of electronic spins as a carrier of information, are rapidly emerging as potential candidates for post-semiconductor non-charge-based technology. Isotropic in-plane propagating coherent spin waves (magnons), which require magnetization to be out of plane, is desirable in an SWD. However, because of lack of availability of low-damping perpendicular magnetic material, a usually well-known in-plane ferrimagnet yttrium iron garnet (YIG) is used with a large out-of-plane bias magnetic field, which tends to hinder the benefits of isotropic spin waves. We experimentally demonstrate an SWD that eliminates the requirement of external magnetic field to obtain perpendicular magnetization in an otherwise in-plane ferromagnet, Ni 80 Fe 20 or permalloy (Py), a typical choice for spin-wave microconduits. Perpendicular anisotropy in Py, as established by magnetic hysteresis measurements, was induced by the exchange-coupled Co/Pd multilayer. Isotropic propagation of magnon spin information has been experimentally shown in microconduits with three channels patterned at arbitrary angles.

Isotropic transmission of magnon spin information without a magnetic field

PubMed Central

Haldar, Arabinda; Tian, Chang; Adeyeye, Adekunle Olusola

2017-01-01

Spin-wave devices (SWD), which use collective excitations of electronic spins as a carrier of information, are rapidly emerging as potential candidates for post-semiconductor non-charge-based technology. Isotropic in-plane propagating coherent spin waves (magnons), which require magnetization to be out of plane, is desirable in an SWD. However, because of lack of availability of low-damping perpendicular magnetic material, a usually well-known in-plane ferrimagnet yttrium iron garnet (YIG) is used with a large out-of-plane bias magnetic field, which tends to hinder the benefits of isotropic spin waves. We experimentally demonstrate an SWD that eliminates the requirement of external magnetic field to obtain perpendicular magnetization in an otherwise in-plane ferromagnet, Ni80Fe20 or permalloy (Py), a typical choice for spin-wave microconduits. Perpendicular anisotropy in Py, as established by magnetic hysteresis measurements, was induced by the exchange-coupled Co/Pd multilayer. Isotropic propagation of magnon spin information has been experimentally shown in microconduits with three channels patterned at arbitrary angles. PMID:28776033

Photoelectron wave function in photoionization: Plane wave or Coulomb wave? [Does photoionization of neutral targets produce Coulomb or plane waves?

DOE PAGES

Gozem, Samer; Gunina, Anastasia O.; Ichino, Takatoshi; ...

2015-10-28

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

Hydrodynamic waves in films flowing under an inclined plane

NASA Astrophysics Data System (ADS)

Rohlfs, Wilko; Pischke, Philipp; Scheid, Benoit

2017-04-01

This study addresses the fluid dynamics of two-dimensional falling films flowing underneath an inclined plane using the weighted integral boundary layer (WIBL) model and direct numerical simulations (DNSs). Film flows under an inclined plane are subject to hydrodynamic and Rayleigh-Taylor instabilities, leading to the formation of two- and three-dimensional waves, rivulets, and eventually dripping. The latter can only occur in film flows underneath an inclined plane such that the gravitational force acts in a destabilizing manner by pulling liquid into the gaseous atmosphere. The DNSs are performed using the solver interFoam of the open-source code OpenFOAM with a gradient limiter approach that avoids artificial oversharpening of the interface. We find good agreement between the two model approaches for wave amplitude and wave speed irrespectively of the orientation of the gravitational force and before the onset of dripping. The latter cannot be modeled with the WIBL model by nature as it is a single-value model. However, for large-amplitude solitarylike waves, the WIBL model fails to predict the velocity field within the wave, which is confirmed by a balance of viscous dissipation and the change in potential energy. In the wavy film flows, different flow features can occur such as circulating waves, i.e., circulating eddies in the main wave hump, or flow reversal, i.e., rotating vortices in the capillary minima of the wave. A phase diagram for all flow features is presented based on results of the WIBL model. Regarding the transition to circulating waves, we show that a critical ratio between the maximum and substrate film thickness (approximately 2.5) is also universal for film flows underneath inclined planes (independent of wavelength, inclination, viscous dissipation, and Reynolds number).

Plane wave packet formulation of atom-plus-diatom quantum reactive scattering.

PubMed

Althorpe, Stuart C

2004-07-15

We recently interpreted several reactive scattering experiments using a plane wave packet (PWP) formulation of quantum scattering theory [see, e.g., S. C. Althorpe, F. Fernandez-Alonso, B. D. Bean, J. D. Ayers, A. E. Pomerantz, R. N. Zare, and E. Wrede, Nature (London) 416, 67 (2002)]. This paper presents the first derivation of this formulation for atom-plus-diatom reactive scattering, and explains its relation to conventional time-independent reactive scattering. We generalize recent results for spherical-particle scattering [S. C. Althorpe, Phys. Rev. A 69, 042702 (2004)] to atom-rigid-rotor scattering in the space-fixed frame, atom-rigid-rotor scattering in the body-fixed frame, and finally A+BC rearrangement scattering. The reactive scattering is initiated by a plane wave packet, describing the A+BC reagents in center-of-mass scattering coordinates, and is detected by projecting onto a series of AC+B (or AB+C) plane wave "probe" packets. The plane wave packets are localized at the closest distance from the scattering center at which the interaction potential can be neglected. The time evolution of the initial plane wave packet provides a clear visualization of the scattering into space of the reaction products. The projection onto the probe packets yields the time-independent, state-to-state scattering amplitude, and hence the differential cross section. We explain how best to implement the PWP approach in a numerical computation, and illustrate this with a detailed application to the H+D2 reaction. (c) 2004 American Institute of Physics

On the generation of horizontal shear waves by underground explosions in jointed rocks

DOE PAGES

Vorobiev, Oleg; Ezzedine, Souheil; Antoun, Tarabay; ...

2015-02-04

This paper describes computational studies of non-spherical ground motions generated by spherical explosions in a heavily jointed granite formation. Various factors affecting the shear wave generation are considered, including joint spacing, orientation, persistence and properties. Simulations are performed both in 2D for a single joint set to elucidate the basic response mechanisms, and in 3D for multiple joint sets to realistically represent in situ conditions in a realistic geologic setting. The joints are modeled explicitly using both contact elements and weakness planes in the material. Simulations are performed both deterministically and stochastically to quantify the effects of geologic uncertainties onmore » near field ground motions. The mechanical properties of the rock and the joints as well as the joint spacing and orientation are taken from experimental test data and geophysical logs corresponding to the Climax Stock granitic outcrop, which is the geologic setting of the Source Physics Experiment (SPE). Agreement between simulation results and near field wave motion data from SPE enables newfound understanding of the origin and extent of non-spherical motions associated with underground explosions in fractured geologic media.« less

Molecular dynamics simulations of shock waves in oriented nitromethane single crystals: plane-specific effects.

PubMed

He, Lan; Sewell, Thomas D; Thompson, Donald L

2012-01-21

Molecular dynamics simulations of supported shock waves (shock pressure P(s) ∼ 15 GPa) propagating along the [110], [011], [101], and [111] directions in crystalline nitromethane initially at T = 200 K were performed using the nonreactive Sorescu-Rice-Thompson force field [D. C. Sorescu, B. M. Rice, and D. L. Thompson, J. Phys. Chem. B 104, 8406 (2000)]. These simulations, combined with those from a preceding study of shocks propagating along [100], [010], and [001] directions in nitromethane for similar conditions of temperature and shock pressure [L. He, T. D. Sewell, and D. L. Thompson, J. Chem. Phys. 134, 124506 (2011)], have been used to study the post-shock relaxation phenomena. Shocks along [010] and [101] lead to a crystal-crystal structure transformation. Shocks propagating along [011], [110], [111], [100], and [001] exhibit plane-specific disordering, which was characterized by calculating as functions of time the 1D mean square displacement (MSD), 2D radial distribution function (RDF), and 2D orientation order parameter P(2)(θ) in orthogonal planes mutually perpendicular to the shock plane; and by calculating as functions of distance behind the shock front the Cartesian components of intermolecular, intramolecular, and total kinetic energies. The 2D RDF results show that the structural disordering for shocks along [100], [110], and [111] is strongly plane-specific; whereas for shocks along [001] and [011], the loss of crystal structural order is almost equivalent in the orthogonal planes perpendicular to the shock plane. Based on the entire set of simulations, there is a trend for the most extensive disordering to occur in the (010) and (110) planes, less extensive disordering to occur in the (100) plane, and essentially no disordering to occur in the (001) plane. The 2D P(2)(θ) and 1D MSD profiles show, respectively, that the orientational and translational disordering is plane-specific, which results in the plane-specific structural disordering observed in the 2D RDF. By contrast, the kinetic energy partitioning and redistribution do not exhibit plane specificity, as shown by the similarity of spatial profiles of the Cartesian components of the intermolecular, intramolecular, and total kinetic energies in orthogonal planes perpendicular to the shock plane. © 2012 American Institute of Physics

Relaxation of Actinide Surfaces: An All Electron Study

NASA Astrophysics Data System (ADS)

Atta-Fynn, Raymond; Dholabhai, Pratik; Ray, Asok

2006-10-01

Fully relativistic full potential density functional calculations with a linearized augmented plane wave plus local orbitals basis (LAPW + lo) have been performed to investigate the relaxations of heavy actinide surfaces, namely the (111) surface of fcc δ-Pu and the (0001) surface of dhcp Am using WIEN2k. This code uses the LAPW + lo method with the unit cell divided into non-overlapping atom-centered spheres and an interstitial region. The APW+lo basis is used to describe all s, p, d, and f states and LAPW basis to describe all higher angular momentum states. Each surface was modeled by a three-layer periodic slab separated by 60 Bohr vacuum with four atoms per surface unit cell. In general, we have found a contraction of the interlayer separations for both Pu and Am. We will report, in detail, the electronic and geometric structures of the relaxed surfaces and comparisons with the respective non-relaxed surfaces.

Visual Stimuli Induce Waves of Electrical Activity in Turtle Cortex

NASA Astrophysics Data System (ADS)

Prechtl, J. C.; Cohen, L. B.; Pesaran, B.; Mitra, P. P.; Kleinfeld, D.

1997-07-01

The computations involved in the processing of a visual scene invariably involve the interactions among neurons throughout all of visual cortex. One hypothesis is that the timing of neuronal activity, as well as the amplitude of activity, provides a means to encode features of objects. The experimental data from studies on cat [Gray, C. M., Konig, P., Engel, A. K. & Singer, W. (1989) Nature (London) 338, 334-337] support a view in which only synchronous (no phase lags) activity carries information about the visual scene. In contrast, theoretical studies suggest, on the one hand, the utility of multiple phases within a population of neurons as a means to encode independent visual features and, on the other hand, the likely existence of timing differences solely on the basis of network dynamics. Here we use widefield imaging in conjunction with voltage-sensitive dyes to record electrical activity from the virtually intact, unanesthetized turtle brain. Our data consist of single-trial measurements. We analyze our data in the frequency domain to isolate coherent events that lie in different frequency bands. Low frequency oscillations (<5 Hz) are seen in both ongoing activity and activity induced by visual stimuli. These oscillations propagate parallel to the afferent input. Higher frequency activity, with spectral peaks near 10 and 20 Hz, is seen solely in response to stimulation. This activity consists of plane waves and spiral-like waves, as well as more complex patterns. The plane waves have an average phase gradient of ≈ π /2 radians/mm and propagate orthogonally to the low frequency waves. Our results show that large-scale differences in neuronal timing are present and persistent during visual processing.

Visual stimuli induce waves of electrical activity in turtle cortex

PubMed Central

Prechtl, J. C.; Cohen, L. B.; Pesaran, B.; Mitra, P. P.; Kleinfeld, D.

1997-01-01

The computations involved in the processing of a visual scene invariably involve the interactions among neurons throughout all of visual cortex. One hypothesis is that the timing of neuronal activity, as well as the amplitude of activity, provides a means to encode features of objects. The experimental data from studies on cat [Gray, C. M., Konig, P., Engel, A. K. & Singer, W. (1989) Nature (London) 338, 334–337] support a view in which only synchronous (no phase lags) activity carries information about the visual scene. In contrast, theoretical studies suggest, on the one hand, the utility of multiple phases within a population of neurons as a means to encode independent visual features and, on the other hand, the likely existence of timing differences solely on the basis of network dynamics. Here we use widefield imaging in conjunction with voltage-sensitive dyes to record electrical activity from the virtually intact, unanesthetized turtle brain. Our data consist of single-trial measurements. We analyze our data in the frequency domain to isolate coherent events that lie in different frequency bands. Low frequency oscillations (<5 Hz) are seen in both ongoing activity and activity induced by visual stimuli. These oscillations propagate parallel to the afferent input. Higher frequency activity, with spectral peaks near 10 and 20 Hz, is seen solely in response to stimulation. This activity consists of plane waves and spiral-like waves, as well as more complex patterns. The plane waves have an average phase gradient of ≈π/2 radians/mm and propagate orthogonally to the low frequency waves. Our results show that large-scale differences in neuronal timing are present and persistent during visual processing. PMID:9207142

Polarized edge emission from GaN-based light-emitting diodes sandwiched by dielectric/metal hybrid reflectors

NASA Astrophysics Data System (ADS)

Yan, L. J.; Sheu, J. K.; Huang, F. W.; Lee, M. L.

2010-12-01

Edge-emitting c-plane GaN/sapphire-based light-emitting diodes (LEDs) sandwiched by two dielectric/metal hybrid reflectors on both sapphire and GaN surfaces were studied to determine their light emission polarization. The hybrid reflectors comprised dielectric multiple thin films and a metal layer. The metal layers of Au or Ag used in this study were designed to enhance the polarization ratio from S-polarization (transverse electric wave, TE) to P-polarization (transverse magnetic wave, TM). The two sets of optimized dielectric multi thin films served as matching layers for wide-angle incident light on both sapphire and GaN surfaces. To determine which reflector scheme would achieve a higher polarization ratio, simulations of the reflectance at the hybrid reflectors on sapphire (or GaN) interface were performed before the fabrication of experimental LEDs. Compared with conventional c-plane InGaN/GaN/sapphire LEDs without dielectric/metal hybrid reflectors, the experimental LEDs exhibited higher polarization ratio (ITE-max/ITM-max) with r=2.174 (˜3.37 dB) at a wavelength of 460 nm. In contrast, the original polarized light (without dielectric/metal hybrid reflectors) was partially contributed (r=1.398) by C-HH or C-LH (C band to the heavy-hole sub-band or C band to the crystal-field split-off sub-band) transitions along the a-plane or m-plane direction.

Absolute instabilities of travelling wave solutions in a Keller-Segel model

NASA Astrophysics Data System (ADS)

Davis, P. N.; van Heijster, P.; Marangell, R.

2017-11-01

We investigate the spectral stability of travelling wave solutions in a Keller-Segel model of bacterial chemotaxis with a logarithmic chemosensitivity function and a constant, sublinear, and linear consumption rate. Linearising around the travelling wave solutions, we locate the essential and absolute spectrum of the associated linear operators and find that all travelling wave solutions have parts of the essential spectrum in the right half plane. However, we show that in the case of constant or sublinear consumption there exists a range of parameters such that the absolute spectrum is contained in the open left half plane and the essential spectrum can thus be weighted into the open left half plane. For the constant and sublinear consumption rate models we also determine critical parameter values for which the absolute spectrum crosses into the right half plane, indicating the onset of an absolute instability of the travelling wave solution. We observe that this crossing always occurs off of the real axis.

Angle-dependent spin-wave resonance spectroscopy of (Ga,Mn)As films

NASA Astrophysics Data System (ADS)

Dreher, L.; Bihler, C.; Peiner, E.; Waag, A.; Schoch, W.; Limmer, W.; Goennenwein, S. T. B.; Brandt, M. S.

2013-06-01

A modeling approach for standing spin-wave resonances based on a finite-difference formulation of the Landau-Lifshitz-Gilbert equation is presented. In contrast to a previous study [C. Bihler , Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.79.045205 79, 045205 (2009)], this formalism accounts for elliptical magnetization precession and magnetic properties arbitrarily varying across the layer thickness, including the magnetic anisotropy parameters, the exchange stiffness, the Gilbert damping, and the saturation magnetization. To demonstrate the usefulness of our modeling approach, we experimentally study a set of (Ga,Mn)As samples grown by low-temperature molecular-beam epitaxy by means of angle-dependent standing spin-wave resonance spectroscopy and electrochemical capacitance-voltage measurements. By applying our modeling approach, the angle dependence of the spin-wave resonance data can be reproduced in a simulation with one set of simulation parameters for all external field orientations. We find that the approximately linear gradient in the out-of-plane magnetic anisotropy is related to a linear gradient in the hole concentrations of the samples.

Evanescent-Wave Filtering in Images Using Remote Terahertz Structured Illumination

NASA Astrophysics Data System (ADS)

Flammini, M.; Pontecorvo, E.; Giliberti, V.; Rizza, C.; Ciattoni, A.; Ortolani, M.; DelRe, E.

2017-11-01

Imaging with structured illumination allows for the retrieval of subwavelength features of an object by conversion of evanescent waves into propagating waves. In conditions in which the object plane and the structured-illumination plane do not coincide, this conversion process is subject to progressive filtering of the components with high spatial frequency when the distance between the two planes increases, until the diffraction-limited lateral resolution is restored when the distance exceeds the extension of evanescent waves. We study the progressive filtering of evanescent waves by developing a remote super-resolution terahertz imaging system operating at a wavelength λ =1.00 mm , based on a freestanding knife edge and a reflective confocal terahertz microscope. In the images recorded with increasing knife-edge-to-object-plane distance, we observe the transition from a super-resolution of λ /17 ≃60 μ m to the diffraction-limited lateral resolution of Δ x ≃λ expected for our confocal microscope. The extreme nonparaxial conditions are analyzed in detail, exploiting the fact that, in the terahertz frequency range, the knife edge can be positioned at a variable subwavelength distance from the object plane. Electromagnetic simulations of radiation scattering by the knife edge reproduce the experimental super-resolution achieved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grimme, Stefan, E-mail: grimme@thch.uni-bonn.de; Brandenburg, Jan Gerit; Bannwarth, Christoph

A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design ofmore » the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of “low-cost” electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT methods and reach that of triple-zeta AO basis set second-order perturbation theory (MP2/TZ) level at a tiny fraction of computational effort. Periodic calculations conducted for molecular crystals to test structures (including cell volumes) and sublimation enthalpies indicate very good accuracy competitive to computationally more involved plane-wave based calculations. PBEh-3c can be applied routinely to several hundreds of atoms on a single processor and it is suggested as a robust “high-speed” computational tool in theoretical chemistry and physics.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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.

Applicability of geometrical optics to in-plane liquid-crystal configurations.

PubMed

Sluijter, M; Xu, M; Urbach, H P; de Boer, D K G

2010-02-15

We study the applicability of geometrical optics to inhomogeneous dielectric nongyrotropic optically anisotropic media typically found in in-plane liquid-crystal configurations with refractive indices n(o)=1.5 and n(e)=1.7. To this end, we compare the results of advanced ray- and wave-optics simulations of the propagation of an incident plane wave to a special anisotropic configuration. Based on the results, we conclude that for a good agreement between ray and wave optics, a maximum change in optical properties should occur over a distance of at least 20 wavelengths.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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.

RCS measurements, transformations, and comparisons under cylindrical and plane wave illumination

NASA Astrophysics Data System (ADS)

Vokura, V. J.; Balanis, Constantine A.; Birtcher, Craig R.

1994-03-01

Monostatic RCS measurements of a long bar (at X-band) and of a scale model aircraft (at C-band) were performed under the quasi-plane wave illumination produced by a dual parabolic-cylinder CATR. At Arizona State University's ElectroMagnetic Anechoic Chamber (EMAC) facility, these measurements were repeated under the cylindrical wave illumination produced by a March Microwave Single-Plane Collimating Range (SPCR). The SPRC measurements were corrected using corrected using the 'reference target method.' The corrected SPCR measurements are in good agreement with the CATR measurements.

Novel high-gain, improved-bandwidth, finned-ladder V-band Traveling-Wave Tube slow-wave circuit design

NASA Technical Reports Server (NTRS)

Kory, Carol L.; Wilson, Jeffrey D.

1994-01-01

The V-band frequency range of 59-64 GHz is a region of the millimeter-wave spectrum that has been designated for inter-satellite communications. As a first effort to develop a high-efficiency V-band Traveling-Wave Tube (TWT), variations on a ring-plane slow-wave circuit were computationally investigated to develop an alternative to the more conventional ferruled coupled-cavity circuit. The ring-plane circuit was chosen because of its high interaction impedance, large beam aperture, and excellent thermal dissipation properties. Despite these advantages, however, low bandwidth and high voltage requirements have, until now, prevented its acceptance outside the laboratory. In this paper, the three-dimensional electrodynamic simulation code MAFIA (solution of MAxwell's Equation by the Finite-Integration-Algorithm) is used to investigate methods of increasing the bandwidth and lowering the operating voltage of the ring-plane circuit. Calculations of frequency-phase dispersion, beam on-axis interaction impedance, attenuation and small-signal gain per wavelength were performed for various geometric variations and loading distributions of the ring-plane TWT slow-wave circuit. Based on the results of the variations, a circuit termed the finned-ladder TWT slow-wave circuit was designed and is compared here to the scaled prototype ring-plane and a conventional ferruled coupled-cavity TWT circuit over the V-band frequency range. The simulation results indicate that this circuit has a much higher gain, significantly wider bandwidth, and a much lower voltage requirement than the scaled ring-plane prototype circuit, while retaining its excellent thermal dissipation properties. The finned-ladder circuit has a much larger small-signal gain per wavelength than the ferruled coupled-cavity circuit, but with a moderate sacrifice in bandwidth.

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.

Electromagnetic analysis of arbitrarily shaped pinched carpets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dupont, Guillaume; Guenneau, Sebastien; Enoch, Stefan

2010-09-15

We derive the expressions for the anisotropic heterogeneous tensors of permittivity and permeability associated with two-dimensional and three-dimensional carpets of an arbitrary shape. In the former case, we map a segment onto smooth curves whereas in the latter case we map an arbitrary region of the plane onto smooth surfaces. Importantly, these carpets display no singularity of the permeability and permeability tensor components. Moreover, a reduced set of parameters leads to nonmagnetic two-dimensional carpets in p polarization (i.e., for a magnetic field orthogonal to the plane containing the carpet). Such an arbitrarily shaped carpet is shown to work over amore » finite bandwidth when it is approximated by a checkerboard with 190 homogeneous cells of piecewise constant anisotropic permittivity. We finally perform some finite element computations in the full vector three-dimensional case for a plane wave in normal incidence and a Gaussian beam in oblique incidence. The latter requires perfectly matched layers set in a rotated coordinate axis which exemplifies the role played by geometric transforms in computational electromagnetism.« less

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…

Green's function multiple-scattering theory with a truncated basis set: An augmented-KKR formalism

NASA Astrophysics Data System (ADS)

Alam, Aftab; Khan, Suffian N.; Smirnov, A. V.; Nicholson, D. M.; Johnson, Duane D.

2014-11-01

The Korringa-Kohn-Rostoker (KKR) Green's function, multiple-scattering theory is an efficient site-centered, electronic-structure technique for addressing an assembly of N scatterers. Wave functions are expanded in a spherical-wave basis on each scattering center and indexed up to a maximum orbital and azimuthal number Lmax=(l,mmax), while scattering matrices, which determine spectral properties, are truncated at Lt r=(l,mt r) where phase shifts δl >ltr are negligible. Historically, Lmax is set equal to Lt r, which is correct for large enough Lmax but not computationally expedient; a better procedure retains higher-order (free-electron and single-site) contributions for Lmax>Lt r with δl >ltr set to zero [X.-G. Zhang and W. H. Butler, Phys. Rev. B 46, 7433 (1992), 10.1103/PhysRevB.46.7433]. We present a numerically efficient and accurate augmented-KKR Green's function formalism that solves the KKR equations by exact matrix inversion [R3 process with rank N (ltr+1 ) 2 ] and includes higher-L contributions via linear algebra [R2 process with rank N (lmax+1) 2 ]. The augmented-KKR approach yields properly normalized wave functions, numerically cheaper basis-set convergence, and a total charge density and electron count that agrees with Lloyd's formula. We apply our formalism to fcc Cu, bcc Fe, and L 1 0 CoPt and present the numerical results for accuracy and for the convergence of the total energies, Fermi energies, and magnetic moments versus Lmax for a given Lt r.

Green's function multiple-scattering theory with a truncated basis set: An augmented-KKR formalism

DOE PAGES

Alam, Aftab; Khan, Suffian N.; Smirnov, A. V.; ...

2014-11-04

Korringa-Kohn-Rostoker (KKR) Green's function, multiple-scattering theory is an ecient sitecentered, electronic-structure technique for addressing an assembly of N scatterers. Wave-functions are expanded in a spherical-wave basis on each scattering center and indexed up to a maximum orbital and azimuthal number L max = (l,m) max, while scattering matrices, which determine spectral properties, are truncated at L tr = (l,m) tr where phase shifts δl>l tr are negligible. Historically, L max is set equal to L tr, which is correct for large enough L max but not computationally expedient; a better procedure retains higher-order (free-electron and single-site) contributions for L maxmore » > L tr with δl>l tr set to zero [Zhang and Butler, Phys. Rev. B 46, 7433]. We present a numerically ecient and accurate augmented-KKR Green's function formalism that solves the KKR equations by exact matrix inversion [R 3 process with rank N(l tr + 1) 2] and includes higher-L contributions via linear algebra [R 2 process with rank N(l max +1) 2]. Augmented-KKR approach yields properly normalized wave-functions, numerically cheaper basis-set convergence, and a total charge density and electron count that agrees with Lloyd's formula. We apply our formalism to fcc Cu, bcc Fe and L1 0 CoPt, and present the numerical results for accuracy and for the convergence of the total energies, Fermi energies, and magnetic moments versus L max for a given L tr.« less

Plane waves in magneto-thermoelastic anisotropic medium based on (L-S) theory under the effect of Coriolis and centrifugal forces

NASA Astrophysics Data System (ADS)

Alesemi, Meshari

2018-04-01

The objective of this research is to illustrate the effectiveness of the thermal relaxation time based on the theory of Lord-Shulman (L-S), Coriolis and Centrifugal Forces on the reflection coefficients of plane waves in an anisotropic magneto-thermoelastic medium. Assuming the elastic medium is rotating with stable angular velocity and the imposed magnetic field is parallel to the boundary of the half-space. The basic equations of a transversely isotropic rotating magneto-thermoelastic medium are formulated according to thermoelasticity theory of Lord-Shulman (L-S). Next to that, getting the velocity equation which is illustrated to show existence of three quasi-plane waves propagating in the medium. The amplitude ratios coefficients of these plane waves have been given and then computed numerically and plotted graphically to demonstrate the influences of the rotation on the Zinc material.

Self-compression of spatially limited laser pulses in a system of coupled light-guides

NASA Astrophysics Data System (ADS)

Balakin, A. A.; Litvak, A. G.; Mironov, V. A.; Skobelev, S. A.

2018-04-01

The self-action features of wave packets propagating in a 2D system of equidistantly arranged fibers are studied analytically and numerically on the basis of the discrete nonlinear Schrödinger equation. Self-consistent equations for the characteristic scales of a Gaussian wave packet are derived on the basis of the variational approach, which are proved numerically for powers P < 10 P_cr , slightly exceeding the critical one for self-focusing. At higher powers, the wave beams become filamented, and their amplitude is limited due to the nonlinear breaking of the interaction between neighboring light-guides. This makes it impossible to collect a powerful wave beam in a single light-guide. Variational analysis shows the possibility of the adiabatic self-compression of soliton-like laser pulses in the process of 3D self-focusing on the central light-guide. However, further increase of the field amplitude during self-compression leads to the development of longitudinal modulation instability and the formation of a set of light bullets in the central fiber. In the regime of hollow wave beams, filamentation instability becomes predominant. As a result, it becomes possible to form a set of light bullets in optical fibers located on the ring.

Wavenumber-domain separation of rail contribution to pass-by noise

NASA Astrophysics Data System (ADS)

Zea, Elias; Manzari, Luca; Squicciarini, Giacomo; Feng, Leping; Thompson, David; Arteaga, Ines Lopez

2017-11-01

In order to counteract the problem of railway noise and its environmental impact, passing trains in Europe must be tested in accordance to a noise legislation that demands the quantification of the noise generated by the vehicle alone. However, for frequencies between about 500 Hz and 1600 Hz, it has been found that a significant part of the measured noise is generated by the rail, which behaves like a distributed source and radiates plane waves as a result of the contact with the train's wheels. Thus the need arises for separating the rail contribution to the pass-by noise in that particular frequency range. To this end, the present paper introduces a wavenumber-domain filtering technique, referred to as wave signature extraction, which requires a line microphone array parallel to the rail, and two accelerometers on the rail in the vertical and lateral direction. The novel contributions of this research are: (i) the introduction and application of wavenumber (or plane-wave) filters to pass-by data measured with a microphone array located in the near-field of the rail, and (ii) the design of such filters without prior information of the structural properties of the rail. The latter is achieved by recording the array pressure, as well as the rail vibrations with the accelerometers, before and after the train pass-by. The performance of the proposed method is investigated with a set of pass-by measurements performed in Germany. The results seem to be promising when compared to reference data from TWINS, and the largest discrepancies occur above 1600 Hz and are attributed to plane waves radiated by the rail that so far have not been accounted for in the design of the filters.

Innovative Technologies for Maskless Lithography and Non-Conventional Patterning

DTIC Science & Technology

2008-08-01

wave sources are used and quantitative data is produced on the local field intensities and scattered plane and plasmon wave amplitudes and phases...transistors”, Transducers 2007, Lyon, France, 3EH5.P, 2007. 9. D. Huang and V. Subramanian “Iodine-doped pentacene schottky diodes for high-frequency RFID...wave sources are used and quantitative data is produced on the local field intensities and scattered plane and plasmon wave amplitudes and phases

The accretion and spreading of matter on white dwarfs

NASA Astrophysics Data System (ADS)

Fisker, Jacob Lund; Balsara, Dinshaw S.; Burger, Tom

2006-10-01

For a slowly rotating non-magnetized white dwarf the accretion disk extends all the way to the star. At the interface between the accretion disk and the star, the matter moves through a boundary layer (BL) and then spreads toward the poles as new matter continuously piles up behind it. We have solved the 3d compressible Navier-Stokes equations on an axisymmetric grid to determine the structure of this BL for different accretion rates (states). The high states show a spreading BL which sets off a gravity wave in the surface matter. The accretion flow moves supersonically over the cusp making it susceptible to the rapid development of gravity wave and/or Kelvin-Helmholtz instabilities. This BL is optically thick and extends more than 30° to either side of the disk plane after 3/4 of a Keplerian rotation period (tK = 19 s). The low states also show a spreading BL, but here the accretion flow does not set off gravity waves and it is optically thin.

Quantum mechanics of a photon

NASA Astrophysics Data System (ADS)

Babaei, Hassan; Mostafazadeh, Ali

2017-08-01

A first-quantized free photon is a complex massless vector field A =(Aμ ) whose field strength satisfies Maxwell's equations in vacuum. We construct the Hilbert space H of the photon by endowing the vector space of the fields A in the temporal-Coulomb gauge with a positive-definite and relativistically invariant inner product. We give an explicit expression for this inner product, identify the Hamiltonian for the photon with the generator of time translations in H , determine the operators representing the momentum and the helicity of the photon, and introduce a chirality operator whose eigenfunctions correspond to fields having a definite sign of energy. We also construct a position operator for the photon whose components commute with each other and with the chirality and helicity operators. This allows for the construction of the localized states of the photon with a definite sign of energy and helicity. We derive an explicit formula for the latter and compute the corresponding electric and magnetic fields. These turn out to diverge not just at the point where the photon is localized but on a plane containing this point. We identify the axis normal to this plane with an associated symmetry axis and show that each choice of this axis specifies a particular position operator, a corresponding position basis, and a position representation of the quantum mechanics of a photon. In particular, we examine the position wave functions determined by such a position basis, elucidate their relationship with the Riemann-Silberstein and Landau-Peierls wave functions, and give an explicit formula for the probability density of the spatial localization of the photon.

A Theoretical Investigation of the Charge Transfer System TCNQ-F4 and Alpha-Sexithiophene

NASA Astrophysics Data System (ADS)

Braun, Kai-Felix

2005-03-01

The electronic and geometrical structures of the charge-transfer system of alpha-sexihiophene and tetrafluorotetracyanoquinodimethane are calculated self-consistently from first principles. By means of density functional theory (DFT) methods several configurations of the free molecules are calculated within LDA and B3LYP employing a plane wave basis and different atomic orbital sets. The combined system exhibits preferential binding of the center of the TCNQ-F4 on top of a c-c bond of the sexithiophene, thereby the central configuration having the lowest energy. As opposed to the periodic arrangement in a crystal of the related system dimethylquaterthiophene and TCNQ-F4, the free system exhibits a strong interaction going along with a substantial polarization of both molecules. For comparison with scanning tunneling spectroscopy results, the molecules were adsorbed in a parallel geometry on a Au(111) slab. To take into account the voltage applied to the STM tip the system was finally calculated within an electric field. This work is financially supported by the US-DOE grant no. DE-FG02-02ER46012.

Quantization of an electromagnetic field in two-dimensional photonic structures based on the scattering matrix formalism ( S-quantization)

NASA Astrophysics Data System (ADS)

Ivanov, K. A.; Nikolaev, V. V.; Gubaydullin, A. R.; Kaliteevski, M. A.

2017-10-01

Based on the scattering matrix formalism, we have developed a method of quantization of an electromagnetic field in two-dimensional photonic nanostructures ( S-quantization in the two-dimensional case). In this method, the fields at the boundaries of the quantization box are expanded into a Fourier series and are related with each other by the scattering matrix of the system, which is the product of matrices describing the propagation of plane waves in empty regions of the quantization box and the scattering matrix of the photonic structure (or an arbitrary inhomogeneity). The quantization condition (similarly to the onedimensional case) is formulated as follows: the eigenvalues of the scattering matrix are equal to unity, which corresponds to the fact that the set of waves that are incident on the structure (components of the expansion into the Fourier series) is equal to the set of waves that travel away from the structure (outgoing waves). The coefficients of the matrix of scattering through the inhomogeneous structure have been calculated using the following procedure: the structure is divided into parallel layers such that the permittivity in each layer varies only along the axis that is perpendicular to the layers. Using the Fourier transform, the Maxwell equations have been written in the form of a matrix that relates the Fourier components of the electric field at the boundaries of neighboring layers. The product of these matrices is the transfer matrix in the basis of the Fourier components of the electric field. Represented in a block form, it is composed by matrices that contain the reflection and transmission coefficients for the Fourier components of the field, which, in turn, constitute the scattering matrix. The developed method considerably simplifies the calculation scheme for the analysis of the behavior of the electromagnetic field in structures with a two-dimensional inhomogeneity. In addition, this method makes it possible to obviate difficulties that arise in the analysis of the Purcell effect because of the divergence of the integral describing the effective volume of the mode in open systems.

Matrix Approach of Seismic Wave Imaging: Application to Erebus Volcano

NASA Astrophysics Data System (ADS)

Blondel, T.; Chaput, J.; Derode, A.; Campillo, M.; Aubry, A.

2017-12-01

This work aims at extending to seismic imaging a matrix approach of wave propagation in heterogeneous media, previously developed in acoustics and optics. More specifically, we will apply this approach to the imaging of the Erebus volcano in Antarctica. Volcanoes are actually among the most challenging media to explore seismically in light of highly localized and abrupt variations in density and wave velocity, extreme topography, extensive fractures, and the presence of magma. In this strongly scattering regime, conventional imaging methods suffer from the multiple scattering of waves. Our approach experimentally relies on the measurement of a reflection matrix associated with an array of geophones located at the surface of the volcano. Although these sensors are purely passive, a set of Green's functions can be measured between all pairs of geophones from ice-quake coda cross-correlations (1-10 Hz) and forms the reflection matrix. A set of matrix operations can then be applied for imaging purposes. First, the reflection matrix is projected, at each time of flight, in the ballistic focal plane by applying adaptive focusing at emission and reception. It yields a response matrix associated with an array of virtual geophones located at the ballistic depth. This basis allows us to get rid of most of the multiple scattering contribution by applying a confocal filter to seismic data. Iterative time reversal is then applied to detect and image the strongest scatterers. Mathematically, it consists in performing a singular value decomposition of the reflection matrix. The presence of a potential target is assessed from a statistical analysis of the singular values, while the corresponding eigenvectors yield the corresponding target images. When stacked, the results obtained at each depth give a three-dimensional image of the volcano. While conventional imaging methods lead to a speckle image with no connection to the actual medium's reflectivity, our method enables to highlight a chimney-shaped structure inside Erebus volcano with true positive rates ranging from 80% to 95%. Although computed independently, the results at each depth are spatially consistent, substantiating their physical reliability. The identified structure is therefore likely to describe accurately the internal structure of the Erebus volcano.

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

NASA Astrophysics Data System (ADS)

Jerke, Jonathan; Poirier, Bill

2018-03-01

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

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

PubMed

Jerke, Jonathan; Poirier, Bill

2018-03-14

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

Physical nature of ethidium and proflavine interactions with nucleic acid bases in the intercalation plane.

PubMed

Langner, Karol M; Kedzierski, Pawel; Sokalski, W Andrzej; Leszczynski, Jerzy

2006-05-18

On the basis of the crystallographic structures of three nucleic acid intercalation complexes involving ethidium and proflavine, we have analyzed the interaction energies between intercalator chromophores and their four nearest bases, using a hybrid variation-perturbation method at the second-order Møller-Plesset theory level (MP2) with a 6-31G(d,p) basis set. A total MP2 interaction energy minimum precisely reproduces the crystallographic position of the ethidium chromophore in the intercalation plane between UA/AU bases. The electrostatic component constitutes the same fraction of the total energy for all three studied structures. The multipole electrostatic interaction energy, calculated from cumulative atomic multipole moments (CAMMs), was found to converge only after including components above the fifth order. CAMM interaction surfaces, calculated on grids in the intercalation planes of these structures, reasonably reproduce the alignment of intercalators in crystal structures; they exhibit additional minima in the direction of the DNA grooves, however, which also need to be examined at higher theory levels if no crystallographic data are given.

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…

A numerical comparison with an exact solution for the transient response of a cylinder immersed in a fluid. [computer simulated underwater tests to determine transient response of a submerged cylindrical shell

NASA Technical Reports Server (NTRS)

Giltrud, M. E.; Lucas, D. S.

1979-01-01

The transient response of an elastic cylindrical shell immersed in an acoustic media that is engulfed by a plane wave is determined numerically. The method applies to the USA-STAGS code which utilizes the finite element method for the structural analysis and the doubly asymptotic approximation for the fluid-structure interaction. The calculations are compared to an exact analysis for two separate loading cases: a plane step wave and an exponentially decaying plane wave.

Globally Convergent Inverse Reconstruction Algorithm for Detection of IEDs via Imaging of Spatially Distributed Dielectric Constants using Microwave

DTIC Science & Technology

2010-04-27

Dirichlet boundary data DP̃ (x, y) at the entire plane P̃ . Then one can solve the following boundary value problem in the half space below P̃ ∆w − s2w...which we wanted to be a plane wave when reaching the bottom side of the prism of Figure 1, where measurements were conducted. But actually this 14 was a...initializing wave field is a plane wave. On the other hand, a visual inspection of the output experimental data has revealed to us that actually we had a

Plane-wave scattering by self-complementary metasurfaces in terms of electromagnetic duality and Babinet's principle

NASA Astrophysics Data System (ADS)

Nakata, Yosuke; Urade, Yoshiro; Nakanishi, Toshihiro; Kitano, Masao

2013-11-01

We investigate theoretically electromagnetic plane-wave scattering by self-complementary metasurfaces. By using Babinet's principle extended to metasurfaces with resistive elements, we show that the frequency-independent transmission and reflection are realized for normal incidence of a circularly polarized plane wave onto a self-complementary metasurface, even if there is diffraction. Next, we consider two special classes of self-complementary metasurfaces. We show that self-complementary metasurfaces with rotational symmetry can act as coherent perfect absorbers, and those with translational symmetry compatible with their self-complementarity can split the incident power equally, even for oblique incidences.

Acoustic streaming jets: A scaling and dimensional analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Botton, V., E-mail: valery.botton@insa-lyon.fr; Henry, D.; Millet, S.

2015-10-28

We present our work on acoustic streaming free jets driven by ultrasonic beams in liquids. These jets are steady flows generated far from walls by progressive acoustic waves. As can be seen on figure 1, our set-up, denominated AStrID for Acoustic Streaming Investigation Device, is made of a water tank in which a 29 mm plane source emits continuous ultrasonic waves at typically 2 MHz. Our approach combines an experimental characterization of both the acoustic pressure field (hydrophone) and the obtained acoustic streaming velocity field (PIV visualization) on one hand, with CFD using an incompressible Navier-Stokes solver on the other hand.

Structural Affects on the Slamming Pressures of High-Speed Planing Craft

NASA Astrophysics Data System (ADS)

Ikeda, Christine; Taravella, Brandon; Judge, Carolyn

2015-11-01

High-speed planing craft are subjected to repeated slamming events in waves that can be very extreme depending on the wave topography, impact angle of the ship, forward speed of the ship, encounter angle, and height out of the water. The current work examines this fluid-structure interaction problem through the use of wedge drop experiments and a CFD code. In the first set of experiments, a rigid 20-degree deadrise angle wedge was dropped from a range of heights (0 <= H <= 0 . 6 m) and while pressures and accelerations of the slam even were measured. The second set of experiments involved a flexible-bottom 15-degree deadrise angle wedge that was dropped from from the same range of heights. In these second experiments, the pressures, accelerations, and strain field were measured. Both experiments are compared with a non-linear boundary value flat cylinder theory code in order to compare the pressure loading. The code assumes a rigid structure, therefore, the results between the code and the first experiment are in good agreement. The second experiment shows pressure magnitudes that are lower than the predictions due to the energy required to deform the structure. Funding from University of New Orleans Office of Research and Sponsored Programs and the Office of Naval Research.

Generalized thermoelastic wave band gaps in phononic crystals without energy dissipation

NASA Astrophysics Data System (ADS)

Wu, Ying; Yu, Kaiping; Li, Xiao; Zhou, Haotian

2016-01-01

We present a theoretical investigation of the thermoelastic wave propagation in the phononic crystals in the context of Green-Nagdhi theory by taking thermoelastic coupling into account. The thermal field is assumed to be steady. Thermoelastic wave band structures of 3D and 2D are derived by using the plane wave expansion method. For the 2D problem, the anti-plane shear mode is not affected by the temperature difference. Thermoelastic wave bands of the in-plane x-y mode are calculated for lead/silicone rubber, aluminium/silicone rubber, and aurum/silicone rubber phononic crystals. The new findings in the numerical results indicate that the thermoelastic wave bands are composed of the pure elastic wave bands and the thermal wave bands, and that the thermal wave bands can serve as the low boundary of the first band gap when the filling ratio is low. In addition, for the lead/silicone rubber phononic crystals the effects of lattice type (square, rectangle, regular triangle, and hexagon) and inclusion shape (circle, oval, and square) on the normalized thermoelastic bandwidth and the upper/lower gap boundaries are analysed and discussed. It is concluded that their effects on the thermoelastic wave band structure are remarkable.

Edge reconstruction in armchair phosphorene nanoribbons revealed by discontinuous Galerkin density functional theory.

PubMed

Hu, Wei; Lin, Lin; Yang, Chao

2015-12-21

With the help of our recently developed massively parallel DGDFT (Discontinuous Galerkin Density Functional Theory) methodology, we perform large-scale Kohn-Sham density functional theory calculations on phosphorene nanoribbons with armchair edges (ACPNRs) containing a few thousands to ten thousand atoms. The use of DGDFT allows us to systematically achieve a conventional plane wave basis set type of accuracy, but with a much smaller number (about 15) of adaptive local basis (ALB) functions per atom for this system. The relatively small number of degrees of freedom required to represent the Kohn-Sham Hamiltonian, together with the use of the pole expansion the selected inversion (PEXSI) technique that circumvents the need to diagonalize the Hamiltonian, results in a highly efficient and scalable computational scheme for analyzing the electronic structures of ACPNRs as well as their dynamics. The total wall clock time for calculating the electronic structures of large-scale ACPNRs containing 1080-10,800 atoms is only 10-25 s per self-consistent field (SCF) iteration, with accuracy fully comparable to that obtained from conventional planewave DFT calculations. For the ACPNR system, we observe that the DGDFT methodology can scale to 5000-50,000 processors. We use DGDFT based ab initio molecular dynamics (AIMD) calculations to study the thermodynamic stability of ACPNRs. Our calculations reveal that a 2 × 1 edge reconstruction appears in ACPNRs at room temperature.

Theory and application of equivalent transformation relationships between plane wave and spherical wave

NASA Astrophysics Data System (ADS)

Wang, Yao; Yang, Zailin; Zhang, Jianwei; Yang, Yong

2017-10-01

Based on the governing equations and the equivalent models, we propose an equivalent transformation relationships between a plane wave in a one-dimensional medium and a spherical wave in globular geometry with radially inhomogeneous properties. These equivalent relationships can help us to obtain the analytical solutions of the elastodynamic issues in an inhomogeneous medium. The physical essence of the presented equivalent transformations is the equivalent relationships between the geometry and the material properties. It indicates that the spherical wave problem in globular geometry can be transformed into the plane wave problem in the bar with variable property fields, and its inverse transformation is valid as well. Four different examples of wave motion problems in the inhomogeneous media are solved based on the presented equivalent relationships. We obtain two basic analytical solution forms in Examples I and II, investigate the reflection behavior of inhomogeneous half-space in Example III, and exhibit a special inhomogeneity in Example IV, which can keep the traveling spherical wave in constant amplitude. This study implies that our idea makes solving the associated problem easier.

Imaging of the internal structure of comet 67P/Churyumov-Gerasimenko from radiotomography CONSERT Data (Rosetta Mission) through a full 3D regularized inversion of the Helmholtz equations on functional spaces

NASA Astrophysics Data System (ADS)

Barriot, Jean-Pierre; Serafini, Jonathan; Sichoix, Lydie; Benna, Mehdi; Kofman, Wlodek; Herique, Alain

We investigate the inverse problem of imaging the internal structure of comet 67P/ Churyumov-Gerasimenko from radiotomography CONSERT data by using a coupled regularized inversion of the Helmholtz equations. A first set of Helmholtz equations, written w.r.t a basis of 3D Hankel functions describes the wave propagation outside the comet at large distances, a second set of Helmholtz equations, written w.r.t. a basis of 3D Zernike functions describes the wave propagation throughout the comet with avariable permittivity. Both sets are connected by continuity equations over a sphere that surrounds the comet. This approach, derived from GPS water vapor tomography of the atmosphere,will permit a full 3D inversion of the internal structure of the comet, contrary to traditional approaches that use a discretization of space at a fraction of the radiowave wavelength.

Argand-plane vorticity singularities in complex scalar optical fields: an experimental study using optical speckle.

PubMed

Rothschild, Freda; Bishop, Alexis I; Kitchen, Marcus J; Paganin, David M

2014-03-24

The Cornu spiral is, in essence, the image resulting from an Argand-plane map associated with monochromatic complex scalar plane waves diffracting from an infinite edge. Argand-plane maps can be useful in the analysis of more general optical fields. We experimentally study particular features of Argand-plane mappings known as "vorticity singularities" that are associated with mapping continuous single-valued complex scalar speckle fields to the Argand plane. Vorticity singularities possess a hierarchy of Argand-plane catastrophes including the fold, cusp and elliptic umbilic. We also confirm their connection to vortices in two-dimensional complex scalar waves. The study of vorticity singularities may also have implications for higher-dimensional fields such as coherence functions and multi-component fields such as vector and spinor fields.

Influence of Tissue Microstructure on Shear Wave Speed Measurements in Plane Shear Wave Elastography: A Computational Study in Lossless Fibrotic Liver Media.

PubMed

Wang, Yu; Jiang, Jingfeng

2018-01-01

Shear wave elastography (SWE) has been used to measure viscoelastic properties for characterization of fibrotic livers. In this technique, external mechanical vibrations or acoustic radiation forces are first transmitted to the tissue being imaged to induce shear waves. Ultrasonically measured displacement/velocity is then utilized to obtain elastographic measurements related to shear wave propagation. Using an open-source wave simulator, k-Wave, we conducted a case study of the relationship between plane shear wave measurements and the microstructure of fibrotic liver tissues. Particularly, three different virtual tissue models (i.e., a histology-based model, a statistics-based model, and a simple inclusion model) were used to represent underlying microstructures of fibrotic liver tissues. We found underlying microstructures affected the estimated mean group shear wave speed (SWS) under the plane shear wave assumption by as much as 56%. Also, the elastic shear wave scattering resulted in frequency-dependent attenuation coefficients and introduced changes in the estimated group SWS. Similarly, the slope of group SWS changes with respect to the excitation frequency differed as much as 78% among three models investigated. This new finding may motivate further studies examining how elastic scattering may contribute to frequency-dependent shear wave dispersion and attenuation in biological tissues.

Propagation of Gaussian wave packets in complex media and application to fracture characterization

NASA Astrophysics Data System (ADS)

Ding, Yinshuai; Zheng, Yingcai; Zhou, Hua-Wei; Howell, Michael; Hu, Hao; Zhang, Yu

2017-08-01

Knowledge of the subsurface fracture networks is critical in probing the tectonic stress states and flow of fluids in reservoirs containing fractures. We propose to characterize fractures using scattered seismic data, based on the theory of local plane-wave multiple scattering in a fractured medium. We construct a localized directional wave packet using point sources on the surface and propagate it toward the targeted subsurface fractures. The wave packet behaves as a local plane wave when interacting with the fractures. The interaction produces multiple scattering of the wave packet that eventually travels up to the surface receivers. The propagation direction and amplitude of the multiply scattered wave can be used to characterize fracture density, orientation and compliance. Two key aspects in this characterization process are the spatial localization and directionality of the wave packet. Here we first show the physical behaviour of a new localized wave, known as the Gaussian Wave Packet (GWP), by examining its analytical solution originally formulated for a homogenous medium. We then use a numerical finite-difference time-domain (FDTD) method to study its propagation behaviour in heterogeneous media. We find that a GWP can still be localized and directional in space even over a large propagation distance in heterogeneous media. We then propose a method to decompose the recorded seismic wavefield into GWPs based on the reverse-time concept. This method enables us to create a virtually recorded seismic data using field shot gathers, as if the source were an incident GWP. Finally, we demonstrate the feasibility of using GWPs for fracture characterization using three numerical examples. For a medium containing fractures, we can reliably invert for the local parameters of multiple fracture sets. Differing from conventional seismic imaging such as migration methods, our fracture characterization method is less sensitive to errors in the background velocity model. For a layered medium containing fractures, our method can correctly recover the fracture density even with an inaccurate velocity model.

The observation of AE events under uniaxial compression and the quantitative relationship between the anisotropy index and the main failure plane

NASA Astrophysics Data System (ADS)

Zhang, Zhibo; Wang, Enyuan; Chen, Dong; Li, Xuelong; Li, Nan

2016-11-01

In this paper, the P-wave velocities in different directions of sandstone samples under uniaxial compression are measured. The results indicate that the changes in the P-wave velocity in different directions are almost the same. In the initial stage of loading, the P-wave velocity exhibits a rising trend due to compaction and closure of preexisting fissures. As the stress increase, preexisting fissures are closed but induced fractures are not yet generated. The sandstone samples become denser and more uniform. The P-wave velocity remains in a steady state at a high level. In the late stage of loading, the P-wave velocity drops significantly due to the expansion and breakthrough of induced fractures. The P-wave velocity anisotropy index ε is analyzed during the process of loading. It can be observed that the change in the degree of wave velocity anisotropy can be divided into three stages: the AB stage, the BC stage and the CD stage, with a changing trend from decline to incline. In the initial stage of loading, the preexisting fissures have a randomized distribution, and the change is large-scale and uniform. The difference in each spatial point decreases gradually, and synchronization increases gradually. Thus, the P-wave velocity anisotropy declines. As the stress increases gradually, with the expansion and breakthrough of induced fractures, the difference in each spatial point increases. Before failure of rock samples, the violent change region of the rock samples' internal structure is focused on a narrow two-dimensional zone, and the rock samples' structural change is obviously local. Therefore, the degree of velocity anisotropy rises after declining, and it also has good corresponding relation among the AE count, the location of AE events and the degree of wave velocity anisotropy. The projection plane of the main fracture plane on the axis plane is recorded as M plane. Based on the AFF equation, for the CD stage, we analyze the quantitative relationship between the velocity anisotropy index ε and angle θ, which is the difference between the angle of the M plane and the X plane and the angle of the M plane and the Y plane from the theoretical point. The results indicate that 1/ε and cotθ/2 have good negative linear relationship that can be expressed as cotθ/2 = a ∗1/ε + b. According to experimental data, the linear fit of 1/ε and cotθ/2 is found, obtaining cotθ/2 = - 0.04721/ε + 0.03, with a linear fit index of 0.908. From an experimental point of view, the linear relationship between 1/ε and cotθ/2 is verified. Through this research, we propose a new method for quantitatively predicting the main fracture occurrence position by P-wave velocity anisotropy. This work has an important significance for understanding buckling failure of rocks.

Pulse wave imaging using coherent compounding in a phantom and in vivo

NASA Astrophysics Data System (ADS)

Zacharias Apostolakis, Iason; McGarry, Matthew D. J.; Bunting, Ethan A.; Konofagou, Elisa E.

2017-03-01

Pulse wave velocity (PWV) is a surrogate marker of arterial stiffness linked to cardiovascular morbidity. Pulse wave imaging (PWI) is a technique developed by our group for imaging the pulse wave propagation in vivo. PWI requires high temporal and spatial resolution, which conventional ultrasonic imaging is unable to simultaneously provide. Coherent compounding is known to address this tradeoff and provides full aperture images at high frame rates. This study aims to implement PWI using coherent compounding within a GPU-accelerated framework. The results of the implemented method were validated using a silicone phantom against static mechanical testing. Reproducibility of the measured PWVs was assessed in the right common carotid of six healthy subjects (n  =  6) approximately 10-15 mm before the bifurcation during two cardiac cycles over the course of 1-3 d. Good agreement of the measured PWVs (3.97  ±  1.21 m s-1, 4.08  ±  1.15 m s-1, p  =  0.74) was obtained. The effects of frame rate, transmission angle and number of compounded plane waves on PWI performance were investigated in the six healthy volunteers. Performance metrics such as the reproducibility of the PWVs, the coefficient of determination (r 2), the SNR of the PWI axial wall velocities (\\text{SN}{{\\text{R}}{{\\text{v}_{\\text{PWI}}}}} ) and the percentage of lateral positions where the pulse wave appears to arrive at the same time-point, indicating inadequacy of the temporal resolution (i.e. temporal resolution misses) were used to evaluate the effect of each parameter. Compounding plane waves transmitted at 1° increments with a linear array yielded optimal performance, generating significantly higher r 2 and \\text{SN}{{\\text{R}}{{\\text{v}_{\\text{PWI}}}}} values (p  ⩽  0.05). Higher frame rates (⩾1667 Hz) produced improvements with significant gains in the r 2 coefficient (p  ⩽  0.05) and significant increase in both r 2 and \\text{SN}{{\\text{R}}{{\\text{v}_{\\text{PWI}}}}} from single plane wave imaging to 3-plane wave compounding (p  ⩽  0.05). Optimal performance was established at 2778 Hz with 3 plane waves and at 1667 Hz with 5 plane waves.

Designing Superhard Materials by Incorporating Boron Into Heavy Transition Metals

NASA Astrophysics Data System (ADS)

Liang, Yongcheng; Li, Anhu; Zhao, Jianzhi; Zhang, Wenqing

First-principles calculations on the incompressibility, elasticity and hardness of the Os, OsB2, Re, and ReB2 materials have systematically been performed by the plane-wave basis pseudopotential method. Transition metals Os and Re, which have high bulk modulus but low hardness, can be converted into hard materials by combining them with small B atoms. Moreover, electronic and structural mechanisms of ReB2 and OsB2 are analyzed in detail and compared. It is shown that incorporating small B atoms into heavy transition metals should be a valid pathway to obtain new superhard materials.

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.

Enhanced retroviral gene delivery in ultrasonic standing wave fields.

PubMed

Lee, Y-H; Peng, C-A

2005-04-01

Enhancement of retroviral transduction efficiency has been achieved by several physical and chemical approaches. However, the application of those methods is hampered by not easily scalable configurations. In this study, instead of looking into the effect of sonoporation, the potential of ultrasonic standing wave fields (USWF) to facilitate retroviral transduction rate was explored. We reasoned that, driven by the primary acoustic radiation force, suspended cells moved to the pressure nodal planes first and formed cell bands. Nanometer-sized retroviruses, circulated between nodal planes by acoustic microstreaming, then used the preformed cell bands as the nucleating sites to attach on. As a result, the encounter opportunity between retroviruses and cells was increased and further facilitated the gene delivery efficiency. Our results showed that mega-Hertz USWF brought K562 erythroleukemia cells (10(6) cells/ml) and vesicular stomatitis virus G-protein (VSV-G) pseudotyped retroviruses (titer of 5 x 10(6) CFU/ml) into close contact at the pressure nodal planes, yielding a four-fold increment of enhanced green fluorescent protein transgene expression after 5-min USWF exposure in the presence of Polybrene. Furthermore, with a fixed titer of retrovirus, the transduction rate was augmented with the increase of cell concentration. In summary, USWF offer a feasible means to enhance retroviral transduction efficiency in large-scale settings.

The January 2001, El Salvador event: a multi-data analysis

NASA Astrophysics Data System (ADS)

Vallee, M.; Bouchon, M.; Schwartz, S. Y.

2001-12-01

On January 13, 2001, a large normal event (Mw=7.6) occured 100 kilometers away from the Salvadorian coast (Central America) with a centroid depth of about 50km. The size of this event is surprising according to the classical idea that such events have to be much weaker than thrust events in subduction zones. We analysed this earthquake with different types of data: because teleseismic waves are the only data which offer a good azimuthal coverage, we first built a kinematic source model with P and SH waves provided by the IRIS-GEOSCOPE networks. The ambiguity between the 30o plane (plunging toward Pacific Ocean) and the 60o degree plane (plunging toward Central America) leaded us to do a parallel analysis of the two possible planes. We used a simple point-source modelling in order to define the main characteristics of the event and then used an extended source to retrieve the kinematic features of the rupture. For the 2 possible planes, this analysis reveals a downdip and northwest rupture propagation but the difference of fit remains subtle even when using the extended source. In a second part we confronted our models for the two planes with other seismological data, which are (1) regional data, (2) surface wave data through an Empirical Green Function given by a similar but much weaker earthquake which occured in July 1996 and lastly (3) nearfield data provided by Universidad Centroamericana (UCA) and Centro de Investigationes Geotecnicas (CIG). Regional data do not allow to discriminate the 2 planes neither but surface waves and especially near field data confirm that the fault plane is the steepest one plunging toward Central America. Moreover, the slight directivity toward North is confirmed by surface waves.

Scattering on plane waves and the double copy

NASA Astrophysics Data System (ADS)

Adamo, Tim; Casali, Eduardo; Mason, Lionel; Nekovar, Stefan

2018-01-01

Perturbatively around flat space, the scattering amplitudes of gravity are related to those of Yang–Mills by colour-kinematic duality, under which gravitational amplitudes are obtained as the ‘double copy’ of the corresponding gauge theory amplitudes. We consider the question of how to extend this relationship to curved scattering backgrounds, focusing on certain ‘sandwich’ plane waves. We calculate the 3-point amplitudes on these backgrounds and find that a notion of double copy remains in the presence of background curvature: graviton amplitudes on a gravitational plane wave are the double copy of gluon amplitudes on a gauge field plane wave. This is non-trivial in that it requires a non-local replacement rule for the background fields and the momenta and polarization vectors of the fields scattering on the backgrounds. It must also account for new ‘tail’ terms arising from scattering off the background. These encode a memory effect in the scattering amplitudes, which naturally double copies as well.

Magnetic Helicity of Alfven Simple Waves

NASA Technical Reports Server (NTRS)

Webb, Gary M.; Hu, Q.; Dasgupta, B.; Zank, G. P.; Roberts, D.

2010-01-01

The magnetic helicity of fully nonlinear, multi-dimensional Alfven simple waves are investigated, by using relative helicity formulae and also by using an approach involving poloidal and toroidal decomposition of the magnetic field and magnetic vector potential. Different methods to calculate the magnetic vector potential are used, including the homotopy and Biot-Savart formulas. Two basic Alfven modes are identified: (a) the plane 1D Alfven simple wave given in standard texts, in which the Alfven wave propagates along the z-axis, with wave phase varphi=k_0(z-lambda t), where k_0 is the wave number and lambda is the group velocity of the wave, and (b)\\ the generalized Barnes (1976) simple Alfven wave in which the wave normal {bf n} moves in a circle in the xy-plane perpendicular to the mean field, which is directed along the z-axis. The plane Alfven wave (a) is analogous to the slab Alfven mode and the generalized Barnes solution (b) is analogous to the 2D mode in Alfvenic, incompressible turbulence. The helicity characteristics of these two basic Alfven modes are distinct. The helicity characteristics of more general multi-dimensional simple Alfven waves are also investigated. Applications to nonlinear Aifvenic fluctuations and structures observed in the solar wind are discussed.

Reference Values for Shear Wave Elastography of Neck and Shoulder Muscles in Healthy Individuals.

PubMed

Ewertsen, Caroline; Carlsen, Jonathan; Perveez, Mohammed Aftab; Schytz, Henrik

2018-01-01

to establish reference values for ultrasound shear-wave elastography for pericranial muscles in healthy individuals (m. trapezius, m. splenius capitis, m. semispinalis capitis, m. sternocleidomastoideus and m. masseter). Also to evaluate day-to-day variations in the shear-wave speeds and evaluate the effect of the pennation of the muscle fibers, ie scanning parallel or perpendicularly to the fibers. 10 healthy individuals (5 males and 5 females) had their pericranial muscles examined with shear-wave elastography in two orthogonal planes on two different days for their dominant and non-dominant side. Mean shear wave speeds from 5 ROI's in each muscle, for each scan plane for the dominant and non-dominant side for the two days were calculated. The effect of the different parameters - muscle pennation, gender, dominant vs non-dominant side and day was evaluated. The effect of scan plane in relation to muscle pennation was statistically significant (p<0.0001). The mean shear-wave speed when scanning parallel to the muscle fibers was significantly higher than the mean shear-wave speed when scanning perpendicularly to the fibers. The day-to-day variation was statistically significant (p=0.0258), but not clinically relevant. Shear-wave speeds differed significantly between muscles. Mean shear wave speeds (m/s) for the muscles in the parallel plane were: for masseter 2.45 (SD:+/-0.25), semispinal 3.36 (SD:+/-0.75), splenius 3.04 (SD:+/-0.65), sternocleidomastoid 2.75 (SD:+/-0.23), trapezius 3.20 (SD:+/-0.27) and trapezius lateral 3.87 (SD:+/-3.87). The shear wave speed variation depended on the direction of scanning. Shear wave elastography may be a method to evaluate muscle stiffness in patients suffering from chronic neck pain.

GENERAL P, TYPE-I S, AND TYPE-II S WAVES IN ANELASTIC SOLIDS; INHOMOGENEOUS WAVE FIELDS IN LOW-LOSS SOLIDS.

USGS Publications Warehouse

Borcherdt, Roger D.; Wennerberg, Leif

1985-01-01

The physical characteristics for general plane-wave radiation fields in an arbitrary linear viscoelastic solid are derived. Expressions for the characteristics of inhomogeneous wave fields, derived in terms of those for homogeneous fields, are utilized to specify the characteristics and a set of reference curves for general P and S wave fields in arbitrary viscoelastic solids as a function of wave inhomogeneity and intrinsic material absorption. The expressions show that an increase in inhomogeneity of the wave fields cause the velocity to decrease, the fractional-energy loss (Q** minus **1) to increase, the deviation of maximum energy flow with respect to phase propagation to increase, and the elliptical particle motions for P and type-I S waves to approach circularity. Q** minus **1 for inhomogeneous type-I S waves is shown to be greater than that for type-II S waves, with the deviation first increasing then decreasing with inhomogeneity. The mean energy densities (kinetic, potential, and total), the mean rate of energy dissipation, the mean energy flux, and Q** minus **1 for inhomogeneous waves are shown to be greater than corresponding characteristics for homogeneous waves, with the deviations increasing as the inhomogeneity is increased for waves of fixed maximum displacement amplitude.

Acoustic Interaction Forces and Torques Acting on Suspended Spheres in an Ideal Fluid.

PubMed

Lopes, J Henrique; Azarpeyvand, Mahdi; Silva, Glauber T

2016-01-01

In this paper, the acoustic interaction forces and torques exerted by an arbitrary time-harmonic wave on a set of N objects suspended in an inviscid fluid are theoretically analyzed. We utilize the partial-wave expansion method with translational addition theorem and re-expansion of multipole series to solve the related multiple scattering problem. We show that the acoustic interaction force and torque can be obtained using the farfield radiation force and torque formulas. To exemplify the method, we calculate the interaction forces exerted by an external traveling and standing plane wave on an arrangement of two and three olive-oil droplets in water. The droplets' radii are comparable to the wavelength (i.e., Mie scattering regime). The results show that the acoustic interaction forces present an oscillatory spatial distribution which follows the pattern formed by interference between the external and rescattered waves. In addition, acoustic interaction torques arise on the absorbing droplets whenever a nonsymmetric wavefront is formed by the external and rescattered waves' interference.

Acoustic radiation force expansions in terms of partial wave phase shifts for scattering: Applications

NASA Astrophysics Data System (ADS)

Marston, Philip L.; Zhang, Likun

2016-11-01

When evaluating radiation forces on spheres in soundfields (with or without orbital-angular momentum) the interpretation of analytical results is greatly simplified by retaining the use of s-function notation for partial-wave coefficients imported into acoustics from quantum scattering theory in the 1970s. This facilitates easy interpretation of various efficiency factors. For situations in which dissipation is negligible, each partial-wave s-function becomes characterized by a single parameter: a phase shift allowing for all possible situations. These phase shifts are associated with scattering by plane traveling waves and the incident wavefield of interest is separately parameterized. (When considering outcomes, the method of fabricating symmetric objects having a desirable set of phase shifts becomes a separate issue.) The existence of negative radiation force "islands" for beams reported in 2006 by Marston is manifested. This approach and consideration of conservation theorems illustrate the unphysical nature of various claims made by other researchers. This approach is also directly relevant to objects in standing waves. Supported by ONR.

An efficient 3-dim FFT for plane wave electronic structure calculations on massively parallel machines composed of multiprocessor nodes

NASA Astrophysics Data System (ADS)

Goedecker, Stefan; Boulet, Mireille; Deutsch, Thierry

2003-08-01

Three-dimensional Fast Fourier Transforms (FFTs) are the main computational task in plane wave electronic structure calculations. Obtaining a high performance on a large numbers of processors is non-trivial on the latest generation of parallel computers that consist of nodes made up of a shared memory multiprocessors. A non-dogmatic method for obtaining high performance for such 3-dim FFTs in a combined MPI/OpenMP programming paradigm will be presented. Exploiting the peculiarities of plane wave electronic structure calculations, speedups of up to 160 and speeds of up to 130 Gflops were obtained on 256 processors.

Improvement of both bandwidth and driving voltage of polymer phase modulators using buried in-plane coupled micro-strip driving electrodes

NASA Astrophysics Data System (ADS)

Hadjloum, Massinissa; El Gibari, Mohammed; Li, Hongwu; Daryoush, Afshin S.

2017-06-01

A large performance improvement of polymer phase modulators is reported by using buried in-plane coupled microstrip (CMS) driving electrodes, instead of standard vertical Micro-Strip electrodes. The in-plane CMS driving electrodes have both low radio frequency (RF) losses and high overlap integral between optical and RF waves compared to the vertical designs. Since the optical waveguide and CMS electrodes are located in the same plane, optical injection and microwave driving access cannot be separated perpendicularly without intersection between them. A via-less transition between grounded coplanar waveguide access and CMS driving electrodes is introduced in order to provide broadband excitation of optical phase modulators and avoid the intersection of the optical core and the electrical probe. Simulation and measurement results of the benzocyclobutene polymer as a cladding material and the PMMI-CPO1 polymer as an optical core with an electro-optic coefficient of 70 pm/V demonstrate a broadband operation of 67 GHz using travelling-wave driving electrodes with a half-wave voltage of 4.5 V, while satisfying its low RF losses and high overlap integral between optical and RF waves of in-plane CMS electrodes.

Detection of in-plane displacements of acoustic wave fields using extrinsic Fizeau fiber interferometric sensors

NASA Technical Reports Server (NTRS)

Dhawan, R.; Gunther, M. F.; Claus, R. O.

1991-01-01

Quantitative measurements of the in-plane particle displacement components of ultrasonic surface acoustic wave fields using extrinsic Fizeau fiber interferometric (EFFI) sensors are reported. Wave propagation in materials and the fiber sensor elements are briefly discussed. Calibrated experimental results obtained for simulated acoustic emission events on homogeneous metal test specimens are reported and compared to previous results obtained using piezoelectric transducers.

Relevance of Whitnall's tubercle and auditory meatus in diagnosing exclusions during skull-photo superimposition.

PubMed

Jayaprakash, Paul T; Hashim, Natassha; Yusop, Ridzuan Abd Aziz Mohd

2015-08-01

Video vision mixer based skull-photo superimposition is a popular method for identifying skulls retrieved from unidentified human remains. A report on the reliability of the superimposition method suggested increased failure rates of 17.3 to 32% to exclude and 15 to 20% to include skulls while using related and unrelated face photographs. Such raise in failures prompted an analysis of the methods employed for the research. The protocols adopted for assessing the reliability are seen to vary from those suggested by the practitioners in the field. The former include overlaying the skull- and face-images on the basis of morphology by relying on anthropometric landmarks on the front plane of the face-images and evaluating the goodness of match depending on mix-mode images; the latter consist of orienting the skull considering landmarks on both the eye and ear planes of the face- and skull-images and evaluating the match utilizing images seen in wipe-mode in addition to those in mix-mode. Superimposition of a skull with face-images of five living individuals in two sets of experiments, one following the procedure described for the research on reliability and the other applying the methods suggested by the practitioners has shown that overlaying the images on the basis of morphology depending on the landmarks on the front plane alone and assessing the match in mix-mode fails to exclude the skull. However, orienting the skull relying on the relationship between the anatomical landmarks on the skull- and face-images such as Whitnall's tubercle and exocanthus in the front (eye) plane and the porion and tragus in the rear (ear) plane as well as assessing the match using wipe-mode images enables excluding that skull while superimposing with the same set of face-images. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Current induced multi-mode propagating spin waves in a spin transfer torque nano-contact with strong perpendicular magnetic anisotropy

NASA Astrophysics Data System (ADS)

Mohseni, S. Morteza; Yazdi, H. F.; Hamdi, M.; Brächer, T.; Mohseni, S. Majid

2018-03-01

Current induced spin wave excitations in spin transfer torque nano-contacts are known as a promising way to generate exchange-dominated spin waves at the nano-scale. It has been shown that when these systems are magnetized in the film plane, broken spatial symmetry of the field around the nano-contact induced by the Oersted field opens the possibility for spin wave mode co-existence including a non-linear self-localized spin-wave bullet and a propagating mode. By means of micromagnetic simulations, here we show that in systems with strong perpendicular magnetic anisotropy (PMA) in the free layer, two propagating spin wave modes with different frequency and spatial distribution can be excited simultaneously. Our results indicate that in-plane magnetized spin transfer nano-contacts in PMA materials do not host a solitonic self-localized spin-wave bullet, which is different from previous studies for systems with in plane magnetic anisotropy. This feature renders them interesting for nano-scale magnonic waveguides and crystals since magnon transport can be configured by tuning the applied current.

Modern developments in shear flow control with swirl

NASA Technical Reports Server (NTRS)

Farokhi, Saeed; Taghavi, R.

1990-01-01

Passive and active control of swirling turbulent jets is experimentally investigated. Initial swirl distribution is shown to dominate the free jet evolution in the passive mode. Vortex breakdown, a manifestation of high intensity swirl, was achieved at below critical swirl number (S = 0.48) by reducing the vortex core diameter. The response of a swirling turbulent jet to single frequency, plane wave acoustic excitation was shown to depend strongly on the swirl number, excitation Strouhal number, amplitude of the excitation wave, and core turbulence in a low speed cold jet. A 10 percent reduction of the mean centerline velocity at x/D = 9.0 (and a corresponding increase in the shear layer momentum thickness) was achieved by large amplitude internal plane wave acoustic excitation. Helical instability waves of negative azimuthal wave numbers exhibit larger amplification rates than the plane waves in swirling free jets, according to hydrodynamic stability theory. Consequently, an active swirling shear layer control is proposed to include the generation of helical instability waves of arbitrary helicity and the promotion of modal interaction, through multifrequency forcing.

Determination of Residual Stress in Composite Materials Using Ultrasonic Waves

NASA Technical Reports Server (NTRS)

Rokhlin, S. I.

1997-01-01

The performance of high temperature composites can be significantly affected by the presence of residual stresses. These stresses arise during cooling processes from fabrication to room temperature due to mismatch of thermal expansion coefficients between matrix and fiber materials. This effect is especially pronounced in metal matrix and intermetallic composites. It can lead to plastic deformations, matrix cracking and fiber/matrix interface debonding. In this work the feasibility of ultrasonic techniques for residual stress assessment in composites is addressed. A novel technique for absolute stress determination in orthotropic materials from angular dependencies of ultrasonic velocities is described. The technique is applicable for determination of both applied and residual stresses and does not require calibration measurements on a reference sample. The important advantage of this method is that stress is determined simultaneously with stress-dependent elastic constants and is thus decoupled from the material texture. It is demonstrated that when the principal plane stress directions coincide with acoustical axes, the angular velocity data in the plane perpendicular to the stress plane may be used to determine both stress components. When the stress is off the acoustical axes, the shear and the difference of the normal stress components may be determined from the angular dependence of group velocities in the plane of stresses. Synthetic sets of experimental data corresponding to materials with different anisotropy and stress levels are used to check the applicability of the technique. The method is also verified experimentally. A high precision ultrasonic wave transmission technique is developed to measure angular dependence of ultrasonic velocities. Examples of stress determination from experimental velocity data are given. A method is presented for determination of velocities of ultrasonic waves propagating through the composite material with residual stresses. It is based on the generalized self-consistent multiple scattering model. Calculation results for longitudinal and shear ultrasonic wave velocities propagating perpendicular to the fibers direction in SCS-6/Ti composite with and without residual stresses are presented. They show that velocity changes due to presence of stresses are of order 1%.

Electromagnetic Wave Excitation by a Longitudinal Slot in a Broad Wall of Rectangular Waveguide in the Presence of Passive Impedance Vibrators Outside the Waveguide

NASA Astrophysics Data System (ADS)

Berdnik, S. L.; Katrich, V. A.; Nesterenko, M. V.; Penkin, Yu. M.

2016-09-01

Purpose: A problem of electromagnetic wave diffraction by a longitudinal slot cut in a waveguide wide wall is solved. The slot is cut in a wide wall of a rectangular waveguide and radiates in a half-space above a perfectly conducting plane where two vertical impedance monopoles with arbitrary lengths placed with their bases placed on the plane. The paper is aimed at studying the electrodynamic characteristics of vibratorwaveguide-slot structures which allow to form the emission fields as that in a Clavin element with two identical passive ideally conducting monopoles of a fixed length located on a set distance from a slot center on both sides of a narrow halfwave slot. Design/methodology/approach: The problem is solved by a generalized method of induced electromotive and magnetomotive forces in approximation of electric currents in the vibrators and equivalent magnetic current in the slot by the functions obtained by the asymptotic averaging method. Findings: The influence of geometric parameters of the structure on the directional characteristics of Clavin type element is analyzed on the assumption of simultaneous account for relative level of sidelobes in the E-plane and beamwidth differences at -3 dB level in the main planes. It is shown that the directional characteristics and energy characteristics of the radiators: radiation and reflection coefficients, antenna directivity and gain can be varied within wide limits by changing the electrical length and/or distributed surface impedances of the vibrators, providing at that a low level of radiation within a slot plane. Conclusions: The results obtained can be useful when designing both small-size and multi-element antenna arrays with Clavin elements.

Several localized waves induced by linear interference between a nonlinear plane wave and bright solitons

NASA Astrophysics Data System (ADS)

Qin, Yan-Hong; Zhao, Li-Chen; Yang, Zhan-Ying; Yang, Wen-Li

2018-01-01

We investigate linear interference effects between a nonlinear plane wave and bright solitons, which are admitted by a pair-transition coupled two-component Bose-Einstein condensate. We demonstrate that the interference effects can induce several localized waves possessing distinctive wave structures, mainly including anti-dark solitons, W-shaped solitons, multi-peak solitons, Kuznetsov-Ma like breathers, and multi-peak breathers. Specifically, the explicit conditions for them are clarified by a phase diagram based on the linear interference properties. Furthermore, the interactions between these localized waves are discussed. The detailed analysis indicates that the soliton-soliton interaction induced phase shift brings the collision between these localized waves which can be inelastic for solitons involving collision and can be elastic for breathers. These characters come from the fact that the profile of solitons depends on the relative phase between bright solitons and a plane wave, and the profile of breathers does not depend on the relative phase. These results would motivate more discussions on linear interference between other nonlinear waves. Specifically, the solitons or breathers obtained here are not related to modulational instability. The underlying reasons are discussed in detail. In addition, possibilities to observe these localized waves are discussed in a two species Bose-Einstein condensate.

Electronic Coupling Calculations for Bridge-Mediated Charge Transfer Using Constrained Density Functional Theory (CDFT) and Effective Hamiltonian Approaches at the Density Functional Theory (DFT) and Fragment-Orbital Density Functional Tight Binding (FODFTB) Level

DOE PAGES

Gillet, Natacha; Berstis, Laura; Wu, Xiaojing; ...

2016-09-09

In this paper, four methods to calculate charge transfer integrals in the context of bridge-mediated electron transfer are tested. These methods are based on density functional theory (DFT). We consider two perturbative Green's function effective Hamiltonian methods (first, at the DFT level of theory, using localized molecular orbitals; second, applying a tight-binding DFT approach, using fragment orbitals) and two constrained DFT implementations with either plane-wave or local basis sets. To assess the performance of the methods for through-bond (TB)-dominated or through-space (TS)-dominated transfer, different sets of molecules are considered. For through-bond electron transfer (ET), several molecules that were originally synthesizedmore » by Paddon-Row and co-workers for the deduction of electronic coupling values from photoemission and electron transmission spectroscopies, are analyzed. The tested methodologies prove to be successful in reproducing experimental data, the exponential distance decay constant and the superbridge effects arising from interference among ET pathways. For through-space ET, dedicated p-stacked systems with heterocyclopentadiene molecules were created and analyzed on the basis of electronic coupling dependence on donor-acceptor distance, structure of the bridge, and ET barrier height. The inexpensive fragment-orbital density functional tight binding (FODFTB) method gives similar results to constrained density functional theory (CDFT) and both reproduce the expected exponential decay of the coupling with donor-acceptor distances and the number of bridging units. Finally, these four approaches appear to give reliable results for both TB and TS ET and present a good alternative to expensive ab initio methodologies for large systems involving long-range charge transfers.« less

Electronic Coupling Calculations for Bridge-Mediated Charge Transfer Using Constrained Density Functional Theory (CDFT) and Effective Hamiltonian Approaches at the Density Functional Theory (DFT) and Fragment-Orbital Density Functional Tight Binding (FODFTB) Level

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gillet, Natacha; Berstis, Laura; Wu, Xiaojing

In this paper, four methods to calculate charge transfer integrals in the context of bridge-mediated electron transfer are tested. These methods are based on density functional theory (DFT). We consider two perturbative Green's function effective Hamiltonian methods (first, at the DFT level of theory, using localized molecular orbitals; second, applying a tight-binding DFT approach, using fragment orbitals) and two constrained DFT implementations with either plane-wave or local basis sets. To assess the performance of the methods for through-bond (TB)-dominated or through-space (TS)-dominated transfer, different sets of molecules are considered. For through-bond electron transfer (ET), several molecules that were originally synthesizedmore » by Paddon-Row and co-workers for the deduction of electronic coupling values from photoemission and electron transmission spectroscopies, are analyzed. The tested methodologies prove to be successful in reproducing experimental data, the exponential distance decay constant and the superbridge effects arising from interference among ET pathways. For through-space ET, dedicated p-stacked systems with heterocyclopentadiene molecules were created and analyzed on the basis of electronic coupling dependence on donor-acceptor distance, structure of the bridge, and ET barrier height. The inexpensive fragment-orbital density functional tight binding (FODFTB) method gives similar results to constrained density functional theory (CDFT) and both reproduce the expected exponential decay of the coupling with donor-acceptor distances and the number of bridging units. Finally, these four approaches appear to give reliable results for both TB and TS ET and present a good alternative to expensive ab initio methodologies for large systems involving long-range charge transfers.« less

Electronic and optical properties of hexathiapentacene in the gas and crystal phases

NASA Astrophysics Data System (ADS)

Cardia, R.; Malloci, G.; Rignanese, G.-M.; Blase, X.; Molteni, E.; Cappellini, G.

2016-06-01

Using density functional theory (DFT) and its time-dependent (TD) extension, the electronic and optical properties of the hexathiapentacene (HTP) molecule, a derivative of pentacene (PNT) obtained by symmetric substitution of the six central H atoms with S atoms, are investigated for its gas and solid phases. For the molecular structure, all-electron calculations are performed using a Gaussian localized orbital basis set in conjunction with the Becke three-parameter Lee-Yang-Parr (B3LYP) hybrid exchange-correlation functional. Electron affinities, ionization energies, quasiparticle energy gaps, optical absorption spectra, and exciton binding energies are calculated and compared with the corresponding results for PNT, as well as with the available experimental data. The DFT and TDDFT results are also validated by performing many-body perturbation theory calculations within the G W and Bethe-Salpeter equation formalisms. The functionalization with S atoms induces an increase of both ionization energies and electron affinities, a sizable reduction of the fundamental electronic gap, and a redshift of the optical absorption onset. Notably, the intensity of the first absorption peak of HTP falling in the visible region is found to be nearly tripled with respect to the pure PNT molecule. For the crystal structures, pseudopotential calculations are adopted using a plane-wave basis set together with the Perdew-Burke-Ernzerhof exchange-correlation functional empirically corrected in order to take dispersive interactions into account. The electronic excitations are also obtained within a perturbative B3LYP scheme. A comparative analysis is carried out between the ground-state and excited-state properties of crystalline HTP and PNT linking to the findings obtained for the isolated molecules.

Electronic Coupling Calculations for Bridge-Mediated Charge Transfer Using Constrained Density Functional Theory (CDFT) and Effective Hamiltonian Approaches at the Density Functional Theory (DFT) and Fragment-Orbital Density Functional Tight Binding (FODFTB) Level.

PubMed

Gillet, Natacha; Berstis, Laura; Wu, Xiaojing; Gajdos, Fruzsina; Heck, Alexander; de la Lande, Aurélien; Blumberger, Jochen; Elstner, Marcus

2016-10-11

In this article, four methods to calculate charge transfer integrals in the context of bridge-mediated electron transfer are tested. These methods are based on density functional theory (DFT). We consider two perturbative Green's function effective Hamiltonian methods (first, at the DFT level of theory, using localized molecular orbitals; second, applying a tight-binding DFT approach, using fragment orbitals) and two constrained DFT implementations with either plane-wave or local basis sets. To assess the performance of the methods for through-bond (TB)-dominated or through-space (TS)-dominated transfer, different sets of molecules are considered. For through-bond electron transfer (ET), several molecules that were originally synthesized by Paddon-Row and co-workers for the deduction of electronic coupling values from photoemission and electron transmission spectroscopies, are analyzed. The tested methodologies prove to be successful in reproducing experimental data, the exponential distance decay constant and the superbridge effects arising from interference among ET pathways. For through-space ET, dedicated π-stacked systems with heterocyclopentadiene molecules were created and analyzed on the basis of electronic coupling dependence on donor-acceptor distance, structure of the bridge, and ET barrier height. The inexpensive fragment-orbital density functional tight binding (FODFTB) method gives similar results to constrained density functional theory (CDFT) and both reproduce the expected exponential decay of the coupling with donor-acceptor distances and the number of bridging units. These four approaches appear to give reliable results for both TB and TS ET and present a good alternative to expensive ab initio methodologies for large systems involving long-range charge transfers.

On the generation of tangential ground motion by underground explosions in jointed rocks

NASA Astrophysics Data System (ADS)

Vorobiev, Oleg; Ezzedine, Souheil; Antoun, Tarabay; Glenn, Lewis

2015-03-01

This paper describes computational studies of tangential ground motions generated by spherical explosions in a heavily jointed granite formation. Various factors affecting the shear wave generation are considered, including joint spacing, orientation and frictional properties. Simulations are performed both in 2-D for a single joint set to elucidate the basic response mechanisms, and in 3-D for multiple joint sets to realistically represent in situ conditions in a realistic geological setting. The joints are modelled explicitly using both contact elements and weakness planes in the material. Simulations are performed both deterministically and stochastically to quantify the effects of geological uncertainties on near field ground motions. The mechanical properties of the rock and the joints as well as the joint spacing and orientation are taken from experimental test data and geophysical logs corresponding to the Climax Stock granitic outcrop, which is the geological setting of the source physics experiment (SPE). Agreement between simulation results and near field wave motion data from SPE enables newfound understanding of the origin and extent of non-spherical motions associated with underground explosions in fractured geological media.

An Experimental Study of Droplets Produced by a Plunging Breakers

NASA Astrophysics Data System (ADS)

Erinin, Martin; Wang, Dan; Towle, David; Liu, Xinan; Duncan, James

2016-11-01

In this study, the production of droplets by a mechanically generated plunging breaking water wave is investigated in a wave tank. The breaker, with an amplitude of 0.070 m, is generated repeatedly with a programmable wave maker by using a dispersively focused wave packet (average frequency 1.15 Hz). The profile histories of the breaking wave crests along the center plane of the tank are measured using cinematic laser-induced fluorescence. The droplets are measured using a cinematic digital in-line holographic system positioned at 30 locations along a horizontal plane that is 1 cm above the maximum wave crest height. This measurement plane covers the entire region in the tank where the wave breaks. The holographic system is used to obtain the droplet diameters (d, for d >100 microns) and the three components of the droplet velocities. From these measurements and counting only the droplets that are moving up, the spatio-temporal distribution of droplet generation by the breaking wave is obtained. The main features of the droplet generation are correlated with the features and phases of the breaking process. The support of the National Science Foundation under Grant OCE0751853 from the Division of Ocean Sciences is gratefully acknowledged.

Sensor Modelling for the ’Cyclops’ Focal Plane Detector Array Based Technology Demonstrator

DTIC Science & Technology

1992-12-01

Detector Array IFOV Instantaneous field of view IRFPDA Infrared Focal Plane Detector Array LWIR Long-Wave Infrared 0 MCT Mercury Cadmium Telluride MTF...scale focal plane detector array (FPDA). The sensor system operates in the long-wave infrared ( LWIR ) spectral region. The detector array consists of...charge transfer inefficiencies in the readout circuitry. The performance of the HgCdTe FPDA based sensor is limited by the nonuniformity of the

Third All-Union Symposium on Wave Diffraction.

DTIC Science & Technology

1982-08-02

the Half - Plane of Waves, Formed on the Surface of Liquid and on the Interface in the Laminar Liquid by the Periodically Functioning Source, by...majority of the cases is of basic practical interest. For this way of integration it is displaced into lower half - plane Im xɘ and are computed deductions...and f(x) exponentially decrease, then u(x, p) is continued as meromorphic function for the variable/alternating p into half - plane Re p>-b,

Color properties of the motion detectors projecting to the goldfish tectum: I. A color matching study.

PubMed

Maximov, Vadim; Maximova, Elena; Damjanović, Ilija; Maximov, Paul

2014-09-01

Responses of direction-selective and orientation-selective motion detectors were recorded extracellularly from the axon terminals of ganglion cells in the superficial layers of the tectum opticum of immobilized goldfish, Carassius gibelio (Bloch, 1782). Color stripes or edges moving on some color background (presented on the CRT monitor with known emission spectra of its phosphors) served as stimuli. It was shown that stimuli of any color can be more or less matched with the background by varying their intensities what is indicative of color blindness of the motion detectors. Sets of stimuli which matched the background proved to represent planes in the three-dimensional color space of the goldfish. A relative contribution of different types of cones to the spectral sensitivity was estimated according to orientation of the plane of color matches. The spectral sensitivity of any motion detector was shown to be determined mainly by long-wave cones with a weak negative (opponent) contributions of middle-wave and/or short-wave ones. This resulted in reduced sensitivity in the blue-green end of the spectrum, what may be considered as an adaptation to the aquatic environment where, because of the substantial light scattering of a blue-green light, acute vision is possible only in a red region of the spectrum.

Reflection and Refraction of Acoustic Waves by a Shock Wave

NASA Technical Reports Server (NTRS)

Brillouin, J.

1957-01-01

The presence of sound waves in one or the other of the fluid regions on either side of a shock wave is made apparent, in the region under superpressure, by acoustic waves (reflected or refracted according to whether the incident waves lie in the region of superpressure or of subpressure) and by thermal waves. The characteristics of these waves are calculated for a plane, progressive, and uniform incident wave. In the case of refraction, the refracted acoustic wave can, according to the incidence, be plane, progressive, and uniform or take the form of an 'accompanying wave' which remains attached to the front of the shock while sliding parallel to it. In all cases, geometrical constructions permit determination of the kinematic characteristics of the reflected or refractive acoustic waves. The dynamic relationships show that the amplitude of the reflected wave is always less than that of the incident wave. The amplitude of the refracted wave, whatever its type, may in certain cases be greater than that of the incident wave.

Optimizing snake locomotion on an inclined plane

NASA Astrophysics Data System (ADS)

Wang, Xiaolin; Osborne, Matthew T.; Alben, Silas

2014-01-01

We develop a model to study the locomotion of snakes on inclined planes. We determine numerically which snake motions are optimal for two retrograde traveling-wave body shapes, triangular and sinusoidal waves, across a wide range of frictional parameters and incline angles. In the regime of large transverse friction coefficients, we find power-law scalings for the optimal wave amplitudes and corresponding costs of locomotion. We give an asymptotic analysis to show that the optimal snake motions are traveling waves with amplitudes given by the same scaling laws found in the numerics.

Propagation of elastic wave in nanoporous material with distributed cylindrical nanoholes

NASA Astrophysics Data System (ADS)

Qiang, FangWei; Wei, PeiJun; Liu, XiQiang

2013-08-01

The effective propagation constants of plane longitudinal and shear waves in nanoporous material with random distributed parallel cylindrical nanoholes are studied. The surface elastic theory is used to consider the surface stress effects and to derive the nontraditional boundary condition on the surface of nanoholes. The plane wave expansion method is used to obtain the scattering waves from the single nanohole. The multiple scattering effects are taken into consideration by summing the scattered waves from all scatterers and performing the configuration averaging of random distributed scatterers. The effective propagation constants of coherent waves along with the associated dynamic effective elastic modulus are numerically evaluated. The influences of surface stress are discussed based on the numerical results.

Oblique superposition of two elliptically polarized lightwaves using geometric algebra: is energy-momentum conserved?

PubMed

Sze, Michelle Wynne C; Sugon, Quirino M; McNamara, Daniel J

2010-11-01

In this paper, we use Clifford (geometric) algebra Cl(3,0) to verify if electromagnetic energy-momentum density is still conserved for oblique superposition of two elliptically polarized plane waves with the same frequency. We show that energy-momentum conservation is valid at any time only for the superposition of two counter-propagating elliptically polarized plane waves. We show that the time-average energy-momentum of the superposition of two circularly polarized waves with opposite handedness is conserved regardless of the propagation directions of the waves. And, we show that the resulting momentum density of the superposed waves generally has a vector component perpendicular to the momentum densities of the individual waves.

Simplified method for the calculation of irregular waves in the coastal zone

NASA Astrophysics Data System (ADS)

Leont'ev, I. O.

2011-04-01

A method applicable for the estimation of the wave parameters along a set bottom profile is suggested. It takes into account the principal processes having an influence on the waves in the coastal zone: the transformation, refraction, bottom friction, and breaking. The ability to use a constant mean value of the friction coefficient under conditions of sandy shores is implied. The wave breaking is interpreted from the viewpoint of the concept of the limiting wave height at a given depth. The mean and root-mean-square wave heights are determined by the height distribution function, which transforms under the effect of the breaking. The verification of the method on the basis of the natural data shows that the calculation results reproduce the observed variations of the wave heights in a wide range of conditions, including profiles with underwater bars. The deviations from the calculated values mostly do not exceed 25%, and the mean square error is 11%. The method does not require a preliminary setting and can be implemented in the form of a relatively simple calculator accessible even for an inexperienced user.

Algebraic-geometry approach to integrability of birational plane mappings. Integrable birational quadratic reversible mappings. I

NASA Astrophysics Data System (ADS)

Rerikh, K. V.

1998-02-01

Using classic results of algebraic geometry for birational plane mappings in plane CP 2 we present a general approach to algebraic integrability of autonomous dynamical systems in C 2 with discrete time and systems of two autonomous functional equations for meromorphic functions in one complex variable defined by birational maps in C 2. General theorems defining the invariant curves, the dynamics of a birational mapping and a general theorem about necessary and sufficient conditions for integrability of birational plane mappings are proved on the basis of a new idea — a decomposition of the orbit set of indeterminacy points of direct maps relative to the action of the inverse mappings. A general method of generating integrable mappings and their rational integrals (invariants) I is proposed. Numerical characteristics Nk of intersections of the orbits Φn- kOi of fundamental or indeterminacy points Oi ɛ O ∩ S, of mapping Φn, where O = { O i} is the set of indeterminacy points of Φn and S is a similar set for invariant I, with the corresponding set O' ∩ S, where O' = { O' i} is the set of indeterminacy points of inverse mapping Φn-1, are introduced. Using the method proposed we obtain all nine integrable multiparameter quadratic birational reversible mappings with the zero fixed point and linear projective symmetry S = CΛC-1, Λ = diag(±1), with rational invariants generated by invariant straight lines and conics. The relations of numbers Nk with such numerical characteristics of discrete dynamical systems as the Arnold complexity and their integrability are established for the integrable mappings obtained. The Arnold complexities of integrable mappings obtained are determined. The main results are presented in Theorems 2-5, in Tables 1 and 2, and in Appendix A.

A statistical survey of ultralow-frequency wave power and polarization in the Hermean magnetosphere.

PubMed

James, Matthew K; Bunce, Emma J; Yeoman, Timothy K; Imber, Suzanne M; Korth, Haje

2016-09-01

We present a statistical survey of ultralow-frequency wave activity within the Hermean magnetosphere using the entire MErcury Surface, Space ENvironment, GEochemistry, and Ranging magnetometer data set. This study is focused upon wave activity with frequencies <0.5 Hz, typically below local ion gyrofrequencies, in order to determine if field line resonances similar to those observed in the terrestrial magnetosphere may be present. Wave activity is mapped to the magnetic equatorial plane of the magnetosphere and to magnetic latitude and local times on Mercury using the KT14 magnetic field model. Wave power mapped to the planetary surface indicates the average location of the polar cap boundary. Compressional wave power is dominant throughout most of the magnetosphere, while azimuthal wave power close to the dayside magnetopause provides evidence that interactions between the magnetosheath and the magnetopause such as the Kelvin-Helmholtz instability may be driving wave activity. Further evidence of this is found in the average wave polarization: left-handed polarized waves dominate the dawnside magnetosphere, while right-handed polarized waves dominate the duskside. A possible field line resonance event is also presented, where a time-of-flight calculation is used to provide an estimated local plasma mass density of ∼240 amu cm -3 .

Soliton, rational, and periodic solutions for the infinite hierarchy of defocusing nonlinear Schrödinger equations.

PubMed

Ankiewicz, Adrian

2016-07-01

Analysis of short-pulse propagation in positive dispersion media, e.g., in optical fibers and in shallow water, requires assorted high-order derivative terms. We present an infinite-order "dark" hierarchy of equations, starting from the basic defocusing nonlinear Schrödinger equation. We present generalized soliton solutions, plane-wave solutions, and periodic solutions of all orders. We find that "even"-order equations in the set affect phase and "stretching factors" in the solutions, while "odd"-order equations affect the velocities. Hence odd-order equation solutions can be real functions, while even-order equation solutions are complex. There are various applications in optics and water waves.

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

PubMed

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

2015-11-19

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

Electromagnetic scattering by impedance structures

NASA Technical Reports Server (NTRS)

Balanis, Constantine A.; Griesser, Timothy

1987-01-01

The scattering of electromagnetic waves from impedance structures is investigated, and current work on antenna pattern calculation is presented. A general algorithm for determining radiation patterns from antennas mounted near or on polygonal plates is presented. These plates are assumed to be of a material which satisfies the Leontovich (or surface impedance) boundary condition. Calculated patterns including reflection and diffraction terms are presented for numerious geometries, and refinements are included for antennas mounted directly on impedance surfaces. For the case of a monopole mounted on a surface impedance ground plane, computed patterns are compared with experimental measurements. This work in antenna pattern prediction forms the basis of understanding of the complex scattering mechanisms from impedance surfaces. It provides the foundation for the analysis of backscattering patterns which, in general, are more problematic than calculation of antenna patterns. Further proposed study of related topics, including surface waves, corner diffractions, and multiple diffractions, is outlined.

Shock-wave structure for a polyatomic gas with large bulk viscosity

NASA Astrophysics Data System (ADS)

Kosuge, Shingo; Aoki, Kazuo

2018-02-01

The structure of a standing plane shock wave in a polyatomic gas is investigated on the basis of kinetic theory, with special interest in gases with large bulk viscosities, such as CO2 gas. The ellipsoidal statistical model for a polyatomic gas is employed. First, the shock structure is computed numerically for various upstream Mach numbers and for various (large) values of the ratio of the bulk viscosity to the shear viscosity, and different types of profiles, such as the double-layer structure consisting of a thin upstream layer with a steep change and a much thicker downstream layer with a mild change, are obtained. Then, an asymptotic analysis for large values of the ratio is carried out, and an analytical solution that describes the different types of profiles obtained by the numerical analysis, such as the double-layer structure, correctly is obtained.

X-ray plane-wave diffraction effects in a crystal with third-order nonlinearity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Balyan, M. K., E-mail: mbalyan@ysu.am

The two-wave dynamical diffraction in the Laue geometry has been theoretically considered for a plane X-ray wave in a crystal with a third-order nonlinear response to the external field. An analytical solution to the problem stated is found for certain diffraction conditions. A nonlinear pendulum effect is analyzed. The nonlinear extinction length is found to depend on the incident-wave intensity. A pendulum effect of a new type is revealed: the intensities of the transmitted and diffracted waves periodically depend on the incidentwave intensity at a fixed crystal thickness. The rocking curves and Borrmann nonlinear effect are numerically calculated.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

2005-03-15

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

Penrose limits of Abelian and non-Abelian T-duals of AdS 5 × S 5 and their field theory duals

NASA Astrophysics Data System (ADS)

Itsios, Georgios; Nastase, Horatiu; Núñez, Carlos; Sfetsos, Konstantinos; Zacarías, Salomón

2018-01-01

We consider the backgrounds obtained by Abelian and non-Abelian T-duality applied on AdS 5 × S 5. We study geodesics, calculate Penrose limits and find the associated plane-wave geometries. We quantise the weakly coupled type-IIA string theory on these backgrounds. We study the BMN sector, finding operators that wrap the original quiver CFT. For the non-Abelian plane wave, we find a `flow' in the frequencies. We report some progress to understand this, in terms of deconstruction of a higher dimensional field theory. We explore a relation with the plane-wave limit of the Janus solution, which we also provide.

Numerical study of electromagnetic waves generated by a prototype dielectric logging tool

USGS Publications Warehouse

Ellefsen, K.J.; Abraham, J.D.; Wright, D.L.; Mazzella, A.T.

2004-01-01

To understand the electromagnetic waves generated by a prototype dielectric logging tool, a numerical study was conducted using both the finite-difference, time-domain method and a frequency-wavenumber method. When the propagation velocity in the borehole was greater than that in the formation (e.g., an air-filled borehole in the unsaturated zone), only a guided wave propagated along the borehole. As the frequency decreased, both the phase and the group velocities of the guided wave asymptotically approached the phase velocity of a plane wave in the formation. The guided wave radiated electromagnetic energy into the formation, causing its amplitude to decrease. When the propagation velocity in the borehole was less than that in the formation (e.g., a water-filled borehole in the saturated zone), both a refracted wave and a guided wave propagated along the borehole. The velocity of the refracted wave equaled the phase velocity of a plane wave in the formation, and the refracted wave preceded the guided wave. As the frequency decreased, both the phase and the group velocities of the guided wave asymptotically approached the phase velocity of a plane wave in the formation. The guided wave did not radiate electromagnetic energy into the formation. To analyze traces recorded by the prototype tool during laboratory tests, they were compared to traces calculated with the finite-difference method. The first parts of both the recorded and the calculated traces were similar, indicating that guided and refracted waves indeed propagated along the prototype tool. ?? 2004 Society of Exploration Geophysicists. All rights reserved.

Local spectrum analysis of field propagation in an anisotropic medium. Part II. Time-dependent fields.

PubMed

Tinkelman, Igor; Melamed, Timor

2005-06-01

In Part I of this two-part investigation [J. Opt. Soc. Am. A 22, 1200 (2005)], we presented a theory for phase-space propagation of time-harmonic electromagnetic fields in an anisotropic medium characterized by a generic wave-number profile. In this Part II, these investigations are extended to transient fields, setting a general analytical framework for local analysis and modeling of radiation from time-dependent extended-source distributions. In this formulation the field is expressed as a superposition of pulsed-beam propagators that emanate from all space-time points in the source domain and in all directions. Using time-dependent quadratic-Lorentzian windows, we represent the field by a phase-space spectral distribution in which the propagating elements are pulsed beams, which are formulated by a transient plane-wave spectrum over the extended-source plane. By applying saddle-point asymptotics, we extract the beam phenomenology in the anisotropic environment resulting from short-pulsed processing. Finally, the general results are applied to the special case of uniaxial crystal and compared with a reference solution.

The pattern space factor and quality factor of cylindrical source antennas

NASA Astrophysics Data System (ADS)

Jarem, John M.

1982-09-01

For the first time the quality factor of cylindrical source antennas is derived by a plane wave expansion. The evanescent energy (and therefore the quality factor) as defined by a plane wave expansion is shown to be different from Collin and Rothschild's [IEEE Trans. Antennas Propagation AP-12, 23 (1964)] quality factor.

Determination of plane stress state using terahertz time-domain spectroscopy

PubMed Central

Wang, Zhiyong; Kang, Kai; Wang, Shibin; Li, Lin'an; Xu, Ningning; Han, Jiaguang; He, Mingxia; Wu, Liang; Zhang, Weili

2016-01-01

THz wave has been increasingly applied in engineering practice. One of its outstanding advantages is the penetrability through certain optically opaque materials, whose interior properties could be therefore obtained. In this report, we develop an experimental method to determine the plane stress state of optically opaque materials based on the stress-optical law using terahertz time-domain spectroscopy (THz-TDS). In this method, two polarizers are combined into the conventional THz-TDS system to sense and adjust the polarization state of THz waves and a theoretical model is established to describe the relationship between phase delay of the received THz wave and the plane stress applied on the specimen. Three stress parameters that represent the plane stress state are finally determined through an error function of THz wave phase-delay. Experiments were conducted on polytetrafluoroethylene (PTFE) specimen and a reasonably good agreement was found with measurement using traditional strain gauges. The presented results validate the effectiveness of the proposed method. The proposed method could be further used in nondestructive tests for a wide range of optically opaque materials. PMID:27824112

Determination of plane stress state using terahertz time-domain spectroscopy

NASA Astrophysics Data System (ADS)

Wang, Zhiyong; Kang, Kai; Wang, Shibin; Li, Lin'an; Xu, Ningning; Han, Jiaguang; He, Mingxia; Wu, Liang; Zhang, Weili

2016-11-01

THz wave has been increasingly applied in engineering practice. One of its outstanding advantages is the penetrability through certain optically opaque materials, whose interior properties could be therefore obtained. In this report, we develop an experimental method to determine the plane stress state of optically opaque materials based on the stress-optical law using terahertz time-domain spectroscopy (THz-TDS). In this method, two polarizers are combined into the conventional THz-TDS system to sense and adjust the polarization state of THz waves and a theoretical model is established to describe the relationship between phase delay of the received THz wave and the plane stress applied on the specimen. Three stress parameters that represent the plane stress state are finally determined through an error function of THz wave phase-delay. Experiments were conducted on polytetrafluoroethylene (PTFE) specimen and a reasonably good agreement was found with measurement using traditional strain gauges. The presented results validate the effectiveness of the proposed method. The proposed method could be further used in nondestructive tests for a wide range of optically opaque materials.

Phase function of a spherical particle when scattering an inhomogeneous electromagnetic plane wave.

PubMed

Frisvad, Jeppe Revall

2018-04-01

In absorbing media, electromagnetic plane waves are most often inhomogeneous. Existing solutions for the scattering of an inhomogeneous plane wave by a spherical particle provide no explicit expressions for the scattering components. In addition, current analytical solutions require evaluation of the complex hypergeometric function F 1 2 for every term of a series expansion. In this work, I develop a simpler solution based on associated Legendre functions with argument zero. It is similar to the solution for homogeneous plane waves but with new explicit expressions for the angular dependency of the far-field scattering components, that is, the phase function. I include recurrence formulas for practical evaluation and provide numerical examples to evaluate how well the new expressions match previous work in some limiting cases. The predicted difference in the scattering phase function due to inhomogeneity is not negligible for light entering an absorbing medium at an oblique angle. The presented theory could thus be useful for predicting scattering behavior in dye-based random lasing and in solar cell absorption enhancement.

Electromagnetic absorption in a multilayered slab model of tissue under near-field exposure conditions.

PubMed

Chatterjee, I; Hagmann, M J; Gandhi, O P

1980-01-01

The electromagnetic energy deposited in a semi-infinite slab model consisting of skin, fat, and muscle layers is calculated for both plane-wave and near-field exposures. The plane-wave spectrum (PWS) approach is used to calculate the energy deposited in the model by fields present due to leakage from equipment using electromagnetic energy. This analysis applies to near-field exposures where coupling of the target to the leakage source can be neglected. Calculations were made for 2,450 MHz, at which frequency the layered slab adequately models flat regions of the human body. Resonant absorption due to layering is examined as a function of the skin and fat thicknesses for plane-wave exposure and as a function of the physical extent of the near-field distribution. Calculations show that for fields that are nearly constant over at least a free-space wavelength, the energy deposition (for skin, fat, and muscle combination that gives resonant absorption) is equal to or less than that resulting from plane-wave exposure, but is appreciably greater than that obtained for a homogeneous muscle slab model.

Non-contact measurements of ultrasonic waves on paper webs using a photorefractive interferometer

DOEpatents

Brodeur, Pierre H.; Lafond, Emmanuel F.

2000-01-01

An apparatus and method for non-contact measurement of ultrasonic waves on moving paper webs employs a photorefractive interferometer. The photorefractive interferometer employs an optical head in which the incident beam and reflected beam are coaxial, thus enabling detection of both in-plane and out-of-plane waves with a single apparatus. The incident beam and reference beams are focused into a line enabling greater power to be used without damaging the paper.

Alignment error of mirror modules of advanced telescope for high-energy astrophysics due to wavefront aberrations

NASA Astrophysics Data System (ADS)

Zocchi, Fabio E.

2017-10-01

One of the approaches that is being tested for the integration of the mirror modules of the advanced telescope for high-energy astrophysics x-ray mission of the European Space Agency consists in aligning each module on an optical bench operated at an ultraviolet wavelength. The mirror module is illuminated by a plane wave and, in order to overcome diffraction effects, the centroid of the image produced by the module is used as a reference to assess the accuracy of the optical alignment of the mirror module itself. Among other sources of uncertainty, the wave-front error of the plane wave also introduces an error in the position of the centroid, thus affecting the quality of the mirror module alignment. The power spectral density of the position of the point spread function centroid is here derived from the power spectral density of the wave-front error of the plane wave in the framework of the scalar theory of Fourier diffraction. This allows the defining of a specification on the collimator quality used for generating the plane wave starting from the contribution to the error budget allocated for the uncertainty of the centroid position. The theory generally applies whenever Fourier diffraction is a valid approximation, in which case the obtained result is identical to that derived by geometrical optics considerations.

Optimization of selected molecular orbitals in group basis sets.

PubMed

Ferenczy, György G; Adams, William H

2009-04-07

We derive a local basis equation which may be used to determine the orbitals of a group of electrons in a system when the orbitals of that group are represented by a group basis set, i.e., not the basis set one would normally use but a subset suited to a specific electronic group. The group orbitals determined by the local basis equation minimize the energy of a system when a group basis set is used and the orbitals of other groups are frozen. In contrast, under the constraint of a group basis set, the group orbitals satisfying the Huzinaga equation do not minimize the energy. In a test of the local basis equation on HCl, the group basis set included only 12 of the 21 functions in a basis set one might ordinarily use, but the calculated active orbital energies were within 0.001 hartree of the values obtained by solving the Hartree-Fock-Roothaan (HFR) equation using all 21 basis functions. The total energy found was just 0.003 hartree higher than the HFR value. The errors with the group basis set approximation to the Huzinaga equation were larger by over two orders of magnitude. Similar results were obtained for PCl(3) with the group basis approximation. Retaining more basis functions allows an even higher accuracy as shown by the perfect reproduction of the HFR energy of HCl with 16 out of 21 basis functions in the valence basis set. When the core basis set was also truncated then no additional error was introduced in the calculations performed for HCl with various basis sets. The same calculations with fixed core orbitals taken from isolated heavy atoms added a small error of about 10(-4) hartree. This offers a practical way to calculate wave functions with predetermined fixed core and reduced base valence orbitals at reduced computational costs. The local basis equation can also be used to combine the above approximations with the assignment of local basis sets to groups of localized valence molecular orbitals and to derive a priori localized orbitals. An appropriately chosen localization and basis set assignment allowed a reproduction of the energy of n-hexane with an error of 10(-5) hartree, while the energy difference between its two conformers was reproduced with a similar accuracy for several combinations of localizations and basis set assignments. These calculations include localized orbitals extending to 4-5 heavy atoms and thus they require to solve reduced dimension secular equations. The dimensions are not expected to increase with increasing system size and thus the local basis equation may find use in linear scaling electronic structure calculations.

Wave propagation in piezoelectric layered structures of film bulk acoustic resonators.

PubMed

Zhu, Feng; Qian, Zheng-Hua; Wang, Bin

2016-04-01

In this paper, we studied the wave propagation in a piezoelectric layered plate consisting of a piezoelectric thin film on an electroded elastic substrate with or without a driving electrode. Both plane-strain and anti-plane waves were taken into account for the sake of completeness. Numerical results on dispersion relations, cut-off frequencies and vibration distributions of selected modes were given. The effects of mass ratio of driving electrode layer to film layer on the dispersion curve patterns and cut-off frequencies of the plane-strain waves were discussed in detail. Results show that the mass ratio does not change the trend of dispersion curves but larger mass ratio lowers corresponding frequency at a fixed wave number and may extend the frequency range for energy trapping. Those results are of fundamental importance and can be used as a reference to develop effective two-dimensional plate equations for structural analysis and design of film bulk acoustic resonators. Copyright © 2016 Elsevier B.V. All rights reserved.

A Spherical to Plane Wave Transformation Using a Reflectarray

NASA Technical Reports Server (NTRS)

Zaman, Afroz J.; Lee, Richard Q.

1997-01-01

A reflectarray has generally been used as a replacement for a reflector antenna. Using in this capacity, different configurations (prime focus, offset etc.) and various applications (dual frequency, scanning etc.) have been demonstrated with great success. Another potential application that has not been explored previously is the use of reflectarrays to compensate for phase errors in space power combining applications such as space-fed lens and power combining amplifier. In these applications, it is required to convert a spherical wave to a plane wave with proper phase correction added to each element of the reflectarray. This paper reports an experiment to investigate the feasibility of using a reflectarray as an alternative to a lens in space power combining. The experiment involves transforming a spherical wave from a orthomode horn to a plane wave at the horn aperture. The reflcctarray consists of square patches terminated in open stubs to provide necessary phase compensation. In this paper, preliminary results will be presented and the feasibility of such compensation scheme will be discussed.

Improved techniques for outgoing wave variational principle calculations of converged state-to-state transition probabilities for chemical reactions

NASA Technical Reports Server (NTRS)

Mielke, Steven L.; Truhlar, Donald G.; Schwenke, David W.

1991-01-01

Improved techniques and well-optimized basis sets are presented for application of the outgoing wave variational principle to calculate converged quantum mechanical reaction probabilities. They are illustrated with calculations for the reactions D + H2 yields HD + H with total angular momentum J = 3 and F + H2 yields HF + H with J = 0 and 3. The optimization involves the choice of distortion potential, the grid for calculating half-integrated Green's functions, the placement, width, and number of primitive distributed Gaussians, and the computationally most efficient partition between dynamically adapted and primitive basis functions. Benchmark calculations with 224-1064 channels are presented.

Electron acceleration and emission in a field of a plane and converging dipole wave of relativistic amplitudes with the radiation reaction force taken into account

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bashinov, Aleksei V; Gonoskov, Arkady A; Kim, A V

2013-04-30

A comparative analysis is performed of the electron emission characteristics as the electrons move in laser fields with ultra-relativistic intensity and different configurations corresponding to a plane or tightly focused wave. For a plane travelling wave, analytical expressions are derived for the emission characteristics, and it is shown that the angular distribution of the radiation intensity changes qualitatively even when the wave intensity is much less than that in the case of the radiation-dominated regime. An important conclusion is drawn that the electrons in a travelling wave tend to synchronised motion under the radiation reaction force. The characteristic features ofmore » the motion of electrons are found in a converging dipole wave, associated with the curvature of the phase front and nonuniformity of the field distribution. The values of the maximum achievable longitudinal momenta of electrons accelerated to the centre, as well as their distribution function are determined. The existence of quasi-periodic trajectories near the focal region of the dipole wave is shown, and the characteristics of the emission of both accelerated and oscillating electrons are analysed. (extreme light fields and their applications)« less

Helicon mysteries: fitting a plane wave into a cylinder

NASA Astrophysics Data System (ADS)

Boswell, Rod

2011-10-01

Since the first reports in the 1960s, the dispersion of helicon waves in a plasma cylinder has been difficult to describe theoretically for axial wavelengths that are greater than the plasma radius. About 10 years ago, Breizman and Arefiev showed how radial density gradients make the plasma column similar to a coaxial cable, allowing the helicon waves to propagate below the cut-off frequency. The resulting dispersion relation is similar to that of a plane wave propagating parallel to the magnetic field. A few years later, Degeling et. al. presented experimental evidence demonstrating such a plane wave dispersion for a broad range of axial wave numbers. The reason lies in the decoupling of the Hall and electron inertial terms in the dispersion, the former describing the electromagnetic propagation and the latter the electrostatic propagation. Combining the experimental and theoretical results has recently thrown further light on this phenomenon that is applicable to both space and laboratory situations. Radially Localized Helicon Modes in Nonuniform Plasma, Boris N. Breizman and Alexey V. Arefiev, Phys. Rev. Letts. 84, 3863 (2000). Transitions from electrostatic to electromagnetic whistler wave excitation, A. W. Degeling, G. G. Borg and R. W. Boswell, Phys. Plasmas, 11, 2144, (2004).

An Experimental Study Comparing Droplet Production by a Strong Plunging and a Weak Spilling Breaking Water Waves

NASA Astrophysics Data System (ADS)

Erinin, Martin; Wang, Dan; Towle, David; Liu, Xinan; Duncan, James

2017-11-01

In this study, the production of droplets by two mechanically generated breaking water waves is investigated in a wave tank. A strong plunging breaker and weak spilling breaker are generated repeatedly with a programmable wave maker by using two dispersively focused wave packets with the same wave maker motion profile shape (average frequency 1.15 Hz) and two overall amplitude factors. The profile histories of the breaking wave crests along the center plane of the tank are measured using cinematic laser-induced fluorescence. The droplets are measured using a high speed (650 Hz) cinematic digital in-line holographic system positioned at various locations along a horizontal plane that is 1 cm above the maximum wave crest height. The measurement plane covers the entire region in the tank where the wave breaks. The holographic system is used to obtain the droplet diameters (d, for d >100 microns) and the three components of the droplet velocities. From these measurements and counting only the droplets that are moving up, the spatio-temporal distribution of droplet generation by the two breaking waves is obtained. The main features of the droplet generation are correlated with the features and phases of the breaking process. The support of the National Science Foundation under Grant OCE0751853 from the Division of Ocean Sciences is gratefully acknowledged.

Peri-Elastodynamic Simulations of Guided Ultrasonic Waves in Plate-Like Structure with Surface Mounted PZT.

PubMed

Patra, Subir; Ahmed, Hossain; Banerjee, Sourav

2018-01-18

Peridynamic based elastodynamic computation tool named Peri-elastodynamics is proposed herein to simulate the three-dimensional (3D) Lamb wave modes in materials for the first time. Peri-elastodynamics is a nonlocal meshless approach which is a scale-independent generalized technique to visualize the acoustic and ultrasonic waves in plate-like structure, micro-electro-mechanical systems (MEMS) and nanodevices for their respective characterization. In this article, the characteristics of the fundamental Lamb wave modes are simulated in a sample plate-like structure. Lamb wave modes are generated using a surface mounted piezoelectric (PZT) transducer which is actuated from the top surface. The proposed generalized Peri-elastodynamics method is not only capable of simulating two dimensional (2D) in plane wave under plane strain condition formulated previously but also capable of accurately simulating the out of plane Symmetric and Antisymmetric Lamb wave modes in plate like structures in 3D. For structural health monitoring (SHM) of plate-like structures and nondestructive evaluation (NDE) of MEMS devices, it is necessary to simulate the 3D wave-damage interaction scenarios and visualize the different wave features due to damages. Hence, in addition, to simulating the guided ultrasonic wave modes in pristine material, Lamb waves were also simulated in a damaged plate. The accuracy of the proposed technique is verified by comparing the modes generated in the plate and the mode shapes across the thickness of the plate with theoretical wave analysis.

Shock-free configurations in two-and three-dimensional transonic flow

NASA Technical Reports Server (NTRS)

Seebass, A. R.

1981-01-01

Efforts to replace Sobieczky's complicated analog computations of solutions to the hodograph equations by a fast elliptic solver in order to generate shock-free airfoil designs more effectively are described. The indirect design of airfoil and wing shapes that are free from shock waves even though the local flow velocity exceeds the speed of sound is described. The problem of finding an airfoil in two dimensional, irrotational flow that has a prescribed pressure distribution is as addressed. Sobieczky's suggestion to use a fictitious gas for finding shock-free airfoils directly in the physical plane was the basis for a more efficient procedure for achieving the same end.

Processing of Antenna-Array Signals on the Basis of the Interference Model Including a Rank-Deficient Correlation Matrix

NASA Astrophysics Data System (ADS)

Rodionov, A. A.; Turchin, V. I.

2017-06-01

We propose a new method of signal processing in antenna arrays, which is called the Maximum-Likelihood Signal Classification. The proposed method is based on the model in which interference includes a component with a rank-deficient correlation matrix. Using numerical simulation, we show that the proposed method allows one to ensure variance of the estimated arrival angle of the plane wave, which is close to the Cramer-Rao lower boundary and more efficient than the best-known MUSIC method. It is also shown that the proposed technique can be efficiently used for estimating the time dependence of the useful signal.

Two-dimensional complex source point solutions: application to propagationally invariant beams, optical fiber modes, planar waveguides, and plasmonic devices.

PubMed

Sheppard, Colin J R; Kou, Shan S; Lin, Jiao

2014-12-01

Highly convergent beam modes in two dimensions are considered based on rigorous solutions of the scalar wave (Helmholtz) equation, using the complex source point formalism. The modes are applicable to planar waveguide or surface plasmonic structures and nearly concentric microcavity resonator modes in two dimensions. A novel solution is that of a vortex beam, where the direction of propagation is in the plane of the vortex. The modes also can be used as a basis for the cross section of propagationally invariant beams in three dimensions and bow-tie-shaped optical fiber modes.

Quantum-shutter approach to tunneling time scales with wave packets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yamada, Norifumi; Garcia-Calderon, Gaston; Villavicencio, Jorge

2005-07-15

The quantum-shutter approach to tunneling time scales [G. Garcia-Calderon and A. Rubio, Phys. Rev. A 55, 3361 (1997)], which uses a cutoff plane wave as the initial condition, is extended to consider certain type of wave packet initial conditions. An analytical expression for the time-evolved wave function is derived. The time-domain resonance, the peaked structure of the probability density (as the function of time) at the exit of the barrier, originally found with the cutoff plane wave initial condition, is studied with the wave packet initial conditions. It is found that the time-domain resonance is not very sensitive to themore » width of the packet when the transmission process occurs in the tunneling regime.« less

Formulation of the rotational transformation of wave fields and their application to digital holography.

PubMed

Matsushima, Kyoji

2008-07-01

Rotational transformation based on coordinate rotation in Fourier space is a useful technique for simulating wave field propagation between nonparallel planes. This technique is characterized by fast computation because the transformation only requires executing a fast Fourier transform twice and a single interpolation. It is proved that the formula of the rotational transformation mathematically satisfies the Helmholtz equation. Moreover, to verify the formulation and its usefulness in wave optics, it is also demonstrated that the transformation makes it possible to reconstruct an image on arbitrarily tilted planes from a wave field captured experimentally by using digital holography.

Brillouin light scattering on Fe/Cr/Fe thin-film sandwiches

NASA Astrophysics Data System (ADS)

Kabos, P.; Patton, C. E.; Dima, M. O.; Church, D. B.; Stamps, R. L.; Camley, R. E.

1994-04-01

The aim of this work is to perform Brillouin light scattering measurements of the field and wave-vector dependencies of the frequencies of the fundamental magnetic excitations in Fe/Cr/Fe thin film sandwiches with antiferromagnetically coupled magnetic layers, correlate these results with magnetization versus field data on such films, and compare the observed dependencies with theory for low-wave number spin-wave modes in sandwich films. The measurements were made for the in-plane static magnetic field H along the crystallographic and directions, with the in-plane wave vector k always perpendicular to H.

Trapped waves on the mid-latitude β-plane

NASA Astrophysics Data System (ADS)

Paldor, Nathan; Sigalov, Andrey

2008-08-01

A new type of approximate solutions of the Linearized Shallow Water Equations (LSWE) on the mid-latitude β-plane, zonally propagating trapped waves with Airy-like latitude-dependent amplitude, is constructed in this work, for sufficiently small radius of deformation. In contrast to harmonic Poincare and Rossby waves, these newly found trapped waves vanish fast in the positive half-axis, and their zonal phase speed is larger than that of the corresponding harmonic waves for sufficiently large meridional domains. Our analysis implies that due to the smaller radius of deformation in the ocean compared with that in the atmosphere, the trapped waves are relevant to observations in the ocean whereas harmonic waves typify atmospheric observations. The increase in the zonal phase speed of trapped Rossby waves compared with that of harmonic ones is consistent with recent observations that showed that Sea Surface Height features propagated westwards faster than the phase speed of harmonic Rossby waves.

Trajectories of electrons with large longitudinal momenta in the phase plane during surfatron acceleration by an electromagnetic wave

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mkrtichyan, G. S., E-mail: hay-13@mail.ru

2015-07-15

The trajectories of electrons with large longitudinal momenta in the phase plane in the course of their surfatron acceleration by an electromagnetic wave propagating in space plasma across the external magnetic field are analyzed. Electrons with large longitudinal momenta are trapped immediately if the initial wave phase Ψ(0) on the particle trajectory is positive. For negative values of Ψ(0), no electrons trapping by the wave is observed over the available computational times. According to numerical calculations, the trajectories of trapped particles in the phase plane have a singular point of the stable focus type and the behavior of the trajectorymore » corresponds to the motion in a complex nonstationary effective potential well. For some initial phases, electrons are confined in the region of the accelerating electric field for relatively short time, the energy gain being about 50–130% and more.« less

Quantum scattering beyond the plane-wave approximation

NASA Astrophysics Data System (ADS)

Karlovets, Dmitry

2017-12-01

While a plane-wave approximation in high-energy physics works well in a majority of practical cases, it becomes inapplicable for scattering of the vortex particles carrying orbital angular momentum, of Airy beams, of the so-called Schrödinger cat states, and their generalizations. Such quantum states of photons, electrons and neutrons have been generated experimentally in recent years, opening up new perspectives in quantum optics, electron microscopy, particle physics, and so forth. Here we discuss the non-plane-wave effects in scattering brought about by the novel quantum numbers of these wave packets. For the well-focused electrons of intermediate energies, already available at electron microscopes, the corresponding contribution can surpass that of the radiative corrections. Moreover, collisions of the cat-like superpositions of such focused beams with atoms allow one to probe effects of the quantum interference, which have never played any role in particle scattering.

Hygrothermal wave propagation in viscoelastic graphene under in-plane magnetic field based on nonlocal strain gradient theory

NASA Astrophysics Data System (ADS)

Karami, Behrouz; Shahsavari, Davood; Li, Li

2018-03-01

A size-dependent model is developed for the hygrothermal wave propagation analysis of an embedded viscoelastic single layer graphene sheet (SLGS) under the influence of in-plane magnetic field. The bi-Helmholtz nonlocal strain gradient theory involving three small scale parameters is introduced to account for the size-dependent effects. The size-dependent model is deduced based on Hamilton's principle. The closed-form solution of eigenfrequency relation between wave number and phase velocity is achieved. By studying the size-dependent effects on the flexural wave of SLGS, the dispersion relation predicted by the developed size-dependent model can show a good match with experimental data. The influence of in-plane magnetic field, temperature and moisture of environs, structural damping, damped substrate, lower and higher order nonlocal parameters and the material characteristic parameter on the phase velocity of SLGS is explored.

Basis set study of classical rotor lattice dynamics.

PubMed

Witkoskie, James B; Wu, Jianlan; Cao, Jianshu

2004-03-22

The reorientational relaxation of molecular systems is important in many phenomenon and applications. In this paper, we explore the reorientational relaxation of a model Brownian rotor lattice system with short range interactions in both the high and low temperature regimes. In this study, we use a basis set expansion to capture collective motions of the system. The single particle basis set is used in the high temperature regime, while the spin wave basis is used in the low temperature regime. The equations of motion derived in this approach are analogous to the generalized Langevin equation, but the equations render flexibility by allowing nonequilibrium initial conditions. This calculation shows that the choice of projection operators in the generalized Langevin equation (GLE) approach corresponds to defining a specific inner-product space, and this inner-product space should be chosen to reveal the important physics of the problem. The basis set approach corresponds to an inner-product and projection operator that maintain the orthogonality of the spherical harmonics and provide a convenient platform for analyzing GLE expansions. The results compare favorably with numerical simulations, and the formalism is easily extended to more complex systems. (c) 2004 American Institute of Physics

Scattering of elastic waves by a spheroidal inclusion

NASA Astrophysics Data System (ADS)

Johnson, Lane R.

2018-03-01

An analytical solution is presented for scattering of elastic waves by prolate and oblate spheroidal inclusions. The problem is solved in the frequency domain where separation of variables leads to a solution involving spheroidal wave functions of the angular and radial kind. Unlike the spherical problem, the boundary equations remain coupled with respect to one of the separation indices. Expanding the angular spheroidal wave functions in terms of associated Legendre functions and using their orthogonality properties leads to a set of linear equations that can be solved to simultaneously obtain solutions for all coupled modes of both scattered and interior fields. To illustrate some of the properties of the spheroidal solution, total scattering cross-sections for P, SV and SH plane waves incident at an oblique angle on a prolate spheroid, an oblate spheroid and a sphere are compared. The waveforms of the scattered field exterior to the inclusion are calculated for these same incident waves. The waveforms scattered by a spheroid are strongly dependent upon the angle of incidence, are different for incident SV and SH waves and are asymmetrical about the centre of the spheroid with the asymmetry different for prolate and oblate spheroids.

Time Domain Propagation of Quantum and Classical Systems using a Wavelet Basis Set Method

NASA Astrophysics Data System (ADS)

Lombardini, Richard; Nowara, Ewa; Johnson, Bruce

2015-03-01

The use of an orthogonal wavelet basis set (Optimized Maximum-N Generalized Coiflets) to effectively model physical systems in the time domain, in particular the electromagnetic (EM) pulse and quantum mechanical (QM) wavefunction, is examined in this work. Although past research has demonstrated the benefits of wavelet basis sets to handle computationally expensive problems due to their multiresolution properties, the overlapping supports of neighboring wavelet basis functions poses problems when dealing with boundary conditions, especially with material interfaces in the EM case. Specifically, this talk addresses this issue using the idea of derivative matching creating fictitious grid points (T.A. Driscoll and B. Fornberg), but replaces the latter element with fictitious wavelet projections in conjunction with wavelet reconstruction filters. Two-dimensional (2D) systems are analyzed, EM pulse incident on silver cylinders and the QM electron wave packet circling the proton in a hydrogen atom system (reduced to 2D), and the new wavelet method is compared to the popular finite-difference time-domain technique.

Effects of the horizontal component of the Earth's rotation on wave propagation on an f-plane

NASA Astrophysics Data System (ADS)

Beckmann, Aike; Diebels, Stefan

Scaling arguments are used to show that effects due to the horizontal component of the Coriolis force should be taken into account as a first correction to the traditional hydrostatic theory, before frequency dispersion due to vertical acceleration and nonlinearity are included. It is shown analytically that wave propagation of the f--plane becomes anisotropic and that amphidromic systems do not exist in their usual definition. Another important consequence is the existence of free wave solutions at subinertial frequencies.

Revisiting the Plane Electromagnetic Wave Transmission and Reflection Coefficients for the Layer with AN Alternating-Sign Disturbance of Relative Dielectric Permittivity

NASA Astrophysics Data System (ADS)

Milov, V. R.; Kogan, L. P.; Gorev, P. V.; Kuzmichev, P. N.; Egorova, P. A.

2017-01-01

In this paper, we consider the question of the plane electromagnetic wave incidence at the inhomogeneity with an arbitrary profile of the relative permittivity disturbance. Module estimation of Neumann series remainder is carried out for the field of the wave passing through the nonhomogeneous section. Based on that, the number of summands in the series, required to calculate with a given accuracy, the transmission and reflection coefficients have been determined.

The theoretical study of passive and active optical devices via planewave based transfer (scattering) matrix method and other approaches

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhuo, Ye

2011-01-01

In this thesis, we theoretically study the electromagnetic wave propagation in several passive and active optical components and devices including 2-D photonic crystals, straight and curved waveguides, organic light emitting diodes (OLEDs), and etc. Several optical designs are also presented like organic photovoltaic (OPV) cells and solar concentrators. The first part of the thesis focuses on theoretical investigation. First, the plane-wave-based transfer (scattering) matrix method (TMM) is briefly described with a short review of photonic crystals and other numerical methods to study them (Chapter 1 and 2). Next TMM, the numerical method itself is investigated in details and developed inmore » advance to deal with more complex optical systems. In chapter 3, TMM is extended in curvilinear coordinates to study curved nanoribbon waveguides. The problem of a curved structure is transformed into an equivalent one of a straight structure with spatially dependent tensors of dielectric constant and magnetic permeability. In chapter 4, a new set of localized basis orbitals are introduced to locally represent electromagnetic field in photonic crystals as alternative to planewave basis. The second part of the thesis focuses on the design of optical devices. First, two examples of TMM applications are given. The first example is the design of metal grating structures as replacements of ITO to enhance the optical absorption in OPV cells (chapter 6). The second one is the design of the same structure as above to enhance the light extraction of OLEDs (chapter 7). Next, two design examples by ray tracing method are given, including applying a microlens array to enhance the light extraction of OLEDs (chapter 5) and an all-angle wide-wavelength design of solar concentrator (chapter 8). In summary, this dissertation has extended TMM which makes it capable of treating complex optical systems. Several optical designs by TMM and ray tracing method are also given as a full complement of this work.« less

Delay-Encoded Harmonic Imaging (DE-HI) in Multiplane-Wave Compounding.

PubMed

Gong, Ping; Song, Pengfei; Chen, Shigao

2017-04-01

The development of ultrafast ultrasound imaging brings great opportunities to improve imaging technologies such as shear wave elastography and ultrafast Doppler imaging. In ultrafast imaging, several tilted plane or diverging wave images are coherently combined to form a compounded image, leading to trade-offs among image signal-to-noise ratio (SNR), resolution, and post-compounded frame rate. Multiplane wave (MW) imaging is proposed to solve this trade-off by encoding multiple plane waves with Hadamard matrix during one transmission event (i.e. pulse-echo event), to improve image SNR without sacrificing the resolution or frame rate. However, it suffers from stronger reverberation artifacts in B-mode images compared to standard plane wave compounding due to longer transmitted pulses. If harmonic imaging can be combined with MW imaging, the reverberation artifacts and other clutter noises such as sidelobes and multipath scattering clutters should be suppressed. The challenge, however, is that the Hadamard codes used in MW imaging cannot encode the 2 nd harmonic component by inversing the pulse polarity. In this paper, we propose a delay-encoded harmonic imaging (DE-HI) technique to encode the 2 nd harmonic with a one quarter period delay calculated at the transmit center frequency, rather than reversing the pulse polarity during multiplane wave emissions. Received DE-HI signals can then be decoded in the frequency domain to recover the signals as in single plane wave emissions, but mainly with improved SNR at the 2 nd harmonic component instead of the fundamental component. DE-HI was tested experimentally with a point target, a B-mode imaging phantom, and in-vivo human liver imaging. Improvements in image contrast-to-noise ratio (CNR), spatial resolution, and lesion-signal-to-noise ratio ( l SNR) have been achieved compared to standard plane wave compounding, MW imaging, and standard harmonic imaging (maximal improvement of 116% on CNR and 115% on l SNR as compared to standard HI around 55 mm depth in the B-mode imaging phantom study). The potential high frame rate and the stability of encoding and decoding processes of DE-HI were also demonstrated, which made DE-HI promising for a wide spectrum of imaging applications.

Type IIB Colliding Plane Waves

NASA Astrophysics Data System (ADS)

Gutperle, M.; Pioline, B.

2003-09-01

Four-dimensional colliding plane wave (CPW) solutions have played an important role in understanding the classical non-linearities of Einstein's equations. In this note, we investigate CPW solutions in 2n+2-dimensional Einstein gravity with a n+1-form flux. By using an isomorphism with the four-dimensional problem, we construct exact solutions analogous to the Szekeres vacuum solution in four dimensions. The higher-dimensional versions of the Khan-Penrose and Bell-Szekeres CPW solutions are studied perturbatively in the vicinity of the light-cone. We find that under small perturbations, a curvature singularity is generically produced, leading to both space-like and time-like singularities. For n = 4, our results pertain to the collision of two ten-dimensional type-IIB Blau-Figueroa o'Farrill-Hull-Papadopoulos plane waves.

Hybrid density-functional calculations of phonons in LaCoO3

NASA Astrophysics Data System (ADS)

Gryaznov, Denis; Evarestov, Robert A.; Maier, Joachim

2010-12-01

Phonon frequencies at Γ point in nonmagnetic rhombohedral phase of LaCoO3 were calculated using density-functional theory with hybrid exchange correlation functional PBE0. The calculations involved a comparison of results for two types of basis functions commonly used in ab initio calculations, namely, the plane-wave approach and linear combination of atomic orbitals, as implemented in VASP and CRYSTAL computer codes, respectively. A good qualitative, but also within an error margin of less than 30%, a quantitative agreement was observed not only between the two formalisms but also between theoretical and experimental phonon frequency predictions. Moreover, the correlation between the phonon symmetries in cubic and rhombohedral phases is discussed in detail on the basis of group-theoretical analysis. It is concluded that the hybrid PBE0 functional is able to predict correctly the phonon properties in LaCoO3 .

Combined Approach for the Structural Characterization of Alkali Fluoroscandates: Solid-State NMR, Powder X-ray Diffraction, and Density Functional Theory Calculations.

PubMed

Rakhmatullin, Aydar; Polovov, Ilya B; Maltsev, Dmitry; Allix, Mathieu; Volkovich, Vladimir; Chukin, Andrey V; Boča, Miroslav; Bessada, Catherine

2018-02-05

The structures of several fluoroscandate compounds are presented here using a characterization approach combining powder X-ray diffraction and solid-state NMR. The structure of K 5 Sc 3 F 14 was fully determined from Rietveld refinement performed on powder X-ray diffraction data. Moreover, the local structures of NaScF 4 , Li 3 ScF 6 , KSc 2 F 7 , and Na 3 ScF 6 compounds were studied in detail from solid-state 19 F and 45 Sc NMR experiments. The 45 Sc chemical shift ranges for six- and seven-coordinated scandium environments were defined. The 19 F chemical shift ranges for bridging and terminal fluorine atoms were also determined. First-principles calculations of the 19 F and 45 Sc NMR parameters were carried out using plane-wave basis sets and periodic boundary conditions (CASTEP), and the results were compared with the experimental data. A good agreement between the calculated shielding constants and experimental chemical shifts was obtained. This demonstrates the good potential of computational methods in spectroscopic assignments of solid-state 45 Sc NMR spectroscopy.

Nitromethane ignition observed with embedded PDV optical fibers

NASA Astrophysics Data System (ADS)

Mercier, P.; Bénier, J.; Frugier, P. A.; Debruyne, M.; Crouzet, B.

For a long time, the nitromethane (NM) ignition has been observed with different means such as high-speed cameras, VISAR or optical pyrometry diagnostics. By 2000, David Goosmann (LLNL) studied solid high-explosive detonation and shock loaded metal plates by measuring velocity (Fabry-Pérot interferometry) in embedded optical fibers. For six years Photonic Doppler Velocimetry (PDV) has become a major tool to better understand the phenomena occurring in shock physics experiments. In 2006, we began to use in turn this technique and studied shock-to-detonation transition in NM. Different kinds of bare optical fibers were set in the liquid; they provided two types of velocity information; those coming from phenomena located in front of the fibers (interface velocity, shock waves, overdriven detonation wave) and those due to phenomena environing the fibers (shock or detonation waves). We achieved several shots; devices were composed of a high explosive plane wave generator ended by a metal barrier followed by a cylindrical vessel containing NM. We present results.

From the paddle to the beach - A Boussinesq shallow water numerical wave tank based on Madsen and Sørensen's equations

NASA Astrophysics Data System (ADS)

Orszaghova, Jana; Borthwick, Alistair G. L.; Taylor, Paul H.

2012-01-01

This article describes a one-dimensional numerical model of a shallow-water flume with an in-built piston paddle moving boundary wavemaker. The model is based on a set of enhanced Boussinesq equations and the nonlinear shallow water equations. Wave breaking is described approximately, by locally switching to the nonlinear shallow water equations when a critical wave steepness is reached. The moving shoreline is calculated as part of the solution. The piston paddle wavemaker operates on a movable grid, which is Lagrangian on the paddle face and Eulerian away from the paddle. The governing equations are, however, evolved on a fixed mapped grid, and the newly calculated solution is transformed back onto the moving grid via a domain mapping technique. Validation test results are compared against analytical solutions, confirming correct discretisation of the governing equations, wave generation via the numerical paddle, and movement of the wet/dry front. Simulations are presented that reproduce laboratory experiments of wave runup on a plane beach and wave overtopping of a laboratory seawall, involving solitary waves and compact wave groups. In practice, the numerical model is suitable for simulating the propagation of weakly dispersive waves and can additionally model any associated inundation, overtopping or inland flooding within the same simulation.

Internal swells in the tropics: Near-inertial wave energy fluxes and dissipation during CINDY

NASA Astrophysics Data System (ADS)

Soares, S. M.; Natarov, A.; Richards, K. J.

2016-05-01

A developing MJO event in the tropical Indian Ocean triggered wind disturbances that generated inertial oscillations in the surface mixed layer. Subsequent radiation of near-inertial waves below the mixed layer produced strong turbulence in the pycnocline. Linear plane wave dynamics and spectral analysis are used to explain these observations, with the ultimate goal of estimating the wave energy flux in relation to both the energy input by the wind and the dissipation by turbulence. The results indicate that the wave packets carry approximately 30-40% of the wind input of inertial kinetic energy, and propagate in an environment conducive to the occurrence of a critical level set up by a combination of vertical gradients in background relative vorticity and Doppler shifting of wave frequency. Turbulent kinetic energy dissipation measurements demonstrate that the waves lose energy as they propagate in the transition layer as well as in the pycnocline, where approaching this critical level may have dissipated approximately 20% of the wave packet energy in a single event. Our analysis, therefore, supports the notion that appreciable amounts of wind-induced inertial kinetic energy escape the surface boundary layer into the interior. However, a large fraction of wave energy is dissipated within the pycnocline, limiting its penetration into the abyssal ocean.

Optimization of complex slater-type functions with analytic derivative methods for describing photoionization differential cross sections.

PubMed

Matsuzaki, Rei; Yabushita, Satoshi

2017-05-05

The complex basis function (CBF) method applied to various atomic and molecular photoionization problems can be interpreted as an L2 method to solve the driven-type (inhomogeneous) Schrödinger equation, whose driven term being dipole operator times the initial state wave function. However, efficient basis functions for representing the solution have not fully been studied. Moreover, the relation between their solution and that of the ordinary Schrödinger equation has been unclear. For these reasons, most previous applications have been limited to total cross sections. To examine the applicability of the CBF method to differential cross sections and asymmetry parameters, we show that the complex valued solution to the driven-type Schrödinger equation can be variationally obtained by optimizing the complex trial functions for the frequency dependent polarizability. In the test calculations made for the hydrogen photoionization problem with five or six complex Slater-type orbitals (cSTOs), their complex valued expansion coefficients and the orbital exponents have been optimized with the analytic derivative method. Both the real and imaginary parts of the solution have been obtained accurately in a wide region covering typical molecular regions. Their phase shifts and asymmetry parameters are successfully obtained by extrapolating the CBF solution from the inner matching region to the asymptotic region using WKB method. The distribution of the optimized orbital exponents in the complex plane is explained based on the close connection between the CBF method and the driven-type equation method. The obtained information is essential to constructing the appropriate basis sets in future molecular applications. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Excitation spectra of aromatic molecules within a real-space G W -BSE formalism: Role of self-consistency and vertex corrections

DOE PAGES

Hung, Linda; da Jornada, Felipe H.; Souto-Casares, Jaime; ...

2016-08-15

Here, we present first-principles calculations on the vertical ionization potentials (IPs), electron affinities (EAs), and singlet excitation energies on an aromatic-molecule test set (benzene, thiophene, 1,2,5-thiadiazole, naphthalene, benzothiazole, and tetrathiafulvalene) within the GW and Bethe-Salpeter equation (BSE) formalisms. Our computational framework, which employs a real-space basis for ground-state and a transition-space basis for excited-state calculations, is well suited for high-accuracy calculations on molecules, as we show by comparing against G0W0 calculations within a plane-wave-basis formalism. We then generalize our framework to test variants of the GW approximation that include a local density approximation (LDA)–derived vertex function (Γ LDA ) andmore » quasiparticle-self-consistent (QS) iterations. We find that Γ LDA and quasiparticle self-consistency shift IPs and EAs by roughly the same magnitude, but with opposite sign for IPs and the same sign for EAs. G0W0 and QS GWΓ LDA are more accurate for IPs, while G 0W 0Γ LDA and QS GW are best for EAs. For optical excitations, we find that perturbative GW-BSE underestimates the singlet excitation energy, while self-consistent GW-BSE results in good agreement with previous best-estimate values for both valence and Rydberg excitations. Finally, our work suggests that a hybrid approach, in which G0W0 energies are used for occupied orbitals and G0W0Γ LDA for unoccupied orbitals, also yields optical excitation energies in good agreement with experiment but at a smaller computational cost.« less

Excitation spectra of aromatic molecules within a real-space G W -BSE formalism: Role of self-consistency and vertex corrections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hung, Linda; da Jornada, Felipe H.; Souto-Casares, Jaime

Here, we present first-principles calculations on the vertical ionization potentials (IPs), electron affinities (EAs), and singlet excitation energies on an aromatic-molecule test set (benzene, thiophene, 1,2,5-thiadiazole, naphthalene, benzothiazole, and tetrathiafulvalene) within the GW and Bethe-Salpeter equation (BSE) formalisms. Our computational framework, which employs a real-space basis for ground-state and a transition-space basis for excited-state calculations, is well suited for high-accuracy calculations on molecules, as we show by comparing against G0W0 calculations within a plane-wave-basis formalism. We then generalize our framework to test variants of the GW approximation that include a local density approximation (LDA)–derived vertex function (Γ LDA ) andmore » quasiparticle-self-consistent (QS) iterations. We find that Γ LDA and quasiparticle self-consistency shift IPs and EAs by roughly the same magnitude, but with opposite sign for IPs and the same sign for EAs. G0W0 and QS GWΓ LDA are more accurate for IPs, while G 0W 0Γ LDA and QS GW are best for EAs. For optical excitations, we find that perturbative GW-BSE underestimates the singlet excitation energy, while self-consistent GW-BSE results in good agreement with previous best-estimate values for both valence and Rydberg excitations. Finally, our work suggests that a hybrid approach, in which G0W0 energies are used for occupied orbitals and G0W0Γ LDA for unoccupied orbitals, also yields optical excitation energies in good agreement with experiment but at a smaller computational cost.« less

Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.

PubMed

Plasser, Felix; Ruckenbauer, Matthias; Mai, Sebastian; Oppel, Markus; Marquetand, Philipp; González, Leticia

2016-03-08

A new algorithm for the computation of the overlap between many-electron wave functions is described. This algorithm allows for the extensive use of recurring intermediates and thus provides high computational efficiency. Because of the general formalism employed, overlaps can be computed for varying wave function types, molecular orbitals, basis sets, and molecular geometries. This paves the way for efficiently computing nonadiabatic interaction terms for dynamics simulations. In addition, other application areas can be envisaged, such as the comparison of wave functions constructed at different levels of theory. Aside from explaining the algorithm and evaluating the performance, a detailed analysis of the numerical stability of wave function overlaps is carried out, and strategies for overcoming potential severe pitfalls due to displaced atoms and truncated wave functions are presented.

Evaluating the Improvement in Shear Wave Speed Image Quality Using Multidimensional Directional Filters in the Presence of Reflection Artifacts.

PubMed

Lipman, Samantha L; Rouze, Ned C; Palmeri, Mark L; Nightingale, Kathryn R

2016-08-01

Shear waves propagating through interfaces where there is a change in stiffness cause reflected waves that can lead to artifacts in shear wave speed (SWS) reconstructions. Two-dimensional (2-D) directional filters are commonly used to reduce in-plane reflected waves; however, SWS artifacts arise from both in- and out-of-imaging-plane reflected waves. Herein, we introduce 3-D shear wave reconstruction methods as an extension of the previous 2-D estimation methods and quantify the reduction in image artifacts through the use of volumetric SWS monitoring and 4-D-directional filters. A Gaussian acoustic radiation force impulse excitation was simulated in phantoms with Young's modulus ( E ) of 3 kPa and a 5-mm spherical lesion with E = 6, 12, or 18.75 kPa. The 2-D-, 3-D-, and 4-D-directional filters were applied to the displacement profiles to reduce in-and out-of-plane reflected wave artifacts. Contrast-to-noise ratio and SWS bias within the lesion were calculated for each reconstructed SWS image to evaluate the image quality. For 2-D SWS image reconstructions, the 3-D-directional filters showed greater improvements in image quality than the 2-D filters, and the 4-D-directional filters showed marginal improvement over the 3-D filters. Although 4-D-directional filters can further reduce the impact of large magnitude out-of-plane reflection artifacts in SWS images, computational overhead and transducer costs to acquire 3-D data may outweigh the modest improvements in image quality. The 4-D-directional filters have the largest impact in reducing reflection artifacts in 3-D SWS volumes.

Gaussian and Airy wave packets of massive particles with orbital angular momentum

NASA Astrophysics Data System (ADS)

Karlovets, Dmitry V.

2015-01-01

While wave-packet solutions for relativistic wave equations are oftentimes thought to be approximate (paraxial), we demonstrate, by employing a null-plane- (light-cone-) variable formalism, that there is a family of such solutions that are exact. A scalar Gaussian wave packet in the transverse plane is generalized so that it acquires a well-defined z component of the orbital angular momentum (OAM), while it may not acquire a typical "doughnut" spatial profile. Such quantum states and beams, in contrast to the Bessel states, may have an azimuthal-angle-dependent probability density and finite uncertainty of the OAM, which is determined by the packet's width. We construct a well-normalized Airy wave packet, which can be interpreted as a one-particle state for a relativistic massive boson, show that its center moves along the same quasiclassical straight path, and, which is more important, spreads with time and distance exactly as a Gaussian wave packet does, in accordance with the uncertainty principle. It is explained that this fact does not contradict the well-known "nonspreading" feature of the Airy beams. While the effective OAM for such states is zero, its uncertainty (or the beam's OAM bandwidth) is found to be finite, and it depends on the packet's parameters. A link between exact solutions for the Klein-Gordon equation in the null-plane-variable formalism and the approximate ones in the usual approach is indicated; generalizations of these states for a boson in the external field of a plane electromagnetic wave are also presented.

Accurate prediction of complex free surface flow around a high speed craft using a single-phase level set method

NASA Astrophysics Data System (ADS)

Broglia, Riccardo; Durante, Danilo

2017-11-01

This paper focuses on the analysis of a challenging free surface flow problem involving a surface vessel moving at high speeds, or planing. The investigation is performed using a general purpose high Reynolds free surface solver developed at CNR-INSEAN. The methodology is based on a second order finite volume discretization of the unsteady Reynolds-averaged Navier-Stokes equations (Di Mascio et al. in A second order Godunov—type scheme for naval hydrodynamics, Kluwer Academic/Plenum Publishers, Dordrecht, pp 253-261, 2001; Proceedings of 16th international offshore and polar engineering conference, San Francisco, CA, USA, 2006; J Mar Sci Technol 14:19-29, 2009); air/water interface dynamics is accurately modeled by a non standard level set approach (Di Mascio et al. in Comput Fluids 36(5):868-886, 2007a), known as the single-phase level set method. In this algorithm the governing equations are solved only in the water phase, whereas the numerical domain in the air phase is used for a suitable extension of the fluid dynamic variables. The level set function is used to track the free surface evolution; dynamic boundary conditions are enforced directly on the interface. This approach allows to accurately predict the evolution of the free surface even in the presence of violent breaking waves phenomena, maintaining the interface sharp, without any need to smear out the fluid properties across the two phases. This paper is aimed at the prediction of the complex free-surface flow field generated by a deep-V planing boat at medium and high Froude numbers (from 0.6 up to 1.2). In the present work, the planing hull is treated as a two-degree-of-freedom rigid object. Flow field is characterized by the presence of thin water sheets, several energetic breaking waves and plungings. The computational results include convergence of the trim angle, sinkage and resistance under grid refinement; high-quality experimental data are used for the purposes of validation, allowing to compare the hydrodynamic forces and the attitudes assumed at different velocities. A very good agreement between numerical and experimental results demonstrates the reliability of the single-phase level set approach for the predictions of high Froude numbers flows.

Polyatomic molecular Dirac-Hartree-Fock calculations with Gaussian basis sets

NASA Technical Reports Server (NTRS)

Dyall, Kenneth G.; Faegri, Knut, Jr.; Taylor, Peter R.

1990-01-01

Numerical methods have been used successfully in atomic Dirac-Hartree-Fock (DHF) calculations for many years. Some DHF calculations using numerical methods have been done on diatomic molecules, but while these serve a useful purpose for calibration, the computational effort in extending this approach to polyatomic molecules is prohibitive. An alternative more in line with traditional quantum chemistry is to use an analytical basis set expansion of the wave function. This approach fell into disrepute in the early 1980's due to problems with variational collapse and intruder states, but has recently been put on firm theoretical foundations. In particular, the problems of variational collapse are well understood, and prescriptions for avoiding the most serious failures have been developed. Consequently, it is now possible to develop reliable molecular programs using basis set methods. This paper describes such a program and reports results of test calculations to demonstrate the convergence and stability of the method.

Detecting inertial effects with airborne matter-wave interferometry

PubMed Central

Geiger, R.; Ménoret, V.; Stern, G.; Zahzam, N.; Cheinet, P.; Battelier, B.; Villing, A.; Moron, F.; Lours, M.; Bidel, Y.; Bresson, A.; Landragin, A.; Bouyer, P.

2011-01-01

Inertial sensors relying on atom interferometry offer a breakthrough advance in a variety of applications, such as inertial navigation, gravimetry or ground- and space-based tests of fundamental physics. These instruments require a quiet environment to reach their performance and using them outside the laboratory remains a challenge. Here we report the first operation of an airborne matter-wave accelerometer set up aboard a 0g plane and operating during the standard gravity (1g) and microgravity (0g) phases of the flight. At 1g, the sensor can detect inertial effects more than 300 times weaker than the typical acceleration fluctuations of the aircraft. We describe the improvement of the interferometer sensitivity in 0g, which reaches 2 x 10-4 ms-2 / √Hz with our current setup. We finally discuss the extension of our method to airborne and spaceborne tests of the Universality of free fall with matter waves. PMID:21934658

Visible and shortwave infrared focal planes for remote sensing instruments

NASA Astrophysics Data System (ADS)

Tower, J. R.; McCarthy, B. M.; Pellon, L. E.; Strong, R. T.; Elabd, H.

1984-01-01

The development of solid-state sensor technology for multispectral linear array (MLA) instruments is described. A buttable four-spectral-band linear-format CCD and a buttable two-spectral band linear-format short-wave IR CCD have been designed, and first samples have been demonstrated. In addition, first-sample four-band interference filters have been fabricated, and hybrid packaging technology is being developed. Based on this development work, the design and construction of focal planes for a Shuttle sortie MLA instrument have begun. This work involves a visible and near-IR focal plane with 2048 pixels x 4 spectral bands and a short-wave IR focal plane with 1024 pixels x 2 spectral bands.

Japanese space gravitational wave antenna DECIGO and DPF

NASA Astrophysics Data System (ADS)

Musha, Mitsuru

2017-11-01

The gravitational wave detection will open a new gravitational wave astronomy, which gives a fruitful insight about early universe or birth and death of stars. In order to detect gravitational wave, we planed a space gravitational wave detector, DECIGO (DECi-heltz Interferometer Gravitational wave Observatory), which consists of three drag-free satellites forming triangle shaped Fabry-Perot laser interferometer with the arm length of 1000 km, and whose strain sensitivity is designed to be 2x10-24 /√Hz around 0.1 Hz. Before launching DECIGO around 2030, a milestone mission named DECIGO pathfinder (DPF) is planed to be launched whose main purpose is the feasibility test of the key technologies for DECIGO. In the present paper, the conceptual design and current status of DECIGO and DPF are reviewed.

Scaled Quantum Mechanical scale factors for vibrational calculations using alternate polarized and augmented basis sets with the B3LYP density functional calculation model

NASA Astrophysics Data System (ADS)

Legler, C. R.; Brown, N. R.; Dunbar, R. A.; Harness, M. D.; Nguyen, K.; Oyewole, O.; Collier, W. B.

2015-06-01

The Scaled Quantum Mechanical (SQM) method of scaling calculated force constants to predict theoretically calculated vibrational frequencies is expanded to include a broad array of polarized and augmented basis sets based on the split valence 6-31G and 6-311G basis sets with the B3LYP density functional. Pulay's original choice of a single polarized 6-31G(d) basis coupled with a B3LYP functional remains the most computationally economical choice for scaled frequency calculations. But it can be improved upon with additional polarization functions and added diffuse functions for complex molecular systems. The new scale factors for the B3LYP density functional and the 6-31G, 6-31G(d), 6-31G(d,p), 6-31G+(d,p), 6-31G++(d,p), 6-311G, 6-311G(d), 6-311G(d,p), 6-311G+(d,p), 6-311G++(d,p), 6-311G(2d,p), 6-311G++(2d,p), 6-311G++(df,p) basis sets are shown. The double d polarized models did not perform as well and the source of the decreased accuracy was investigated. An alternate system of generating internal coordinates that uses the out-of plane wagging coordinate whenever it is possible; makes vibrational assignments via potential energy distributions more meaningful. Automated software to produce SQM scaled vibrational calculations from different molecular orbital packages is presented.

Excitation of plane Lamb wave in plate-like structures under applied surface loading

NASA Astrophysics Data System (ADS)

Zhou, Kai; Xu, Xinsheng; Zhao, Zhen; Yang, Zhengyan; Zhou, Zhenhuan; Wu, Zhanjun

2018-02-01

Lamb waves play an important role in structure health monitoring (SHM) systems. The excitation of Lamb waves has been discussed for a long time with absorbing results. However, little effort has been made towards the precise characterization of Lamb wave excitation by various transducer models with mathematical foundation. In this paper, the excitation of plane Lamb waves with plane strain assumption in isotropic plate structures under applied surface loading is solved with the Hamiltonian system. The response of the Lamb modes excited by applied loading is expressed analytically. The effect of applied loading is divided into the product of two parts as the effect of direction and the effect of distribution, which can be changed by selecting different types of transducer and the corresponding transducer configurations. The direction of loading determines the corresponding displacement of each mode. The effect of applied loading on the in-plane and normal directions depends on the in-plane and normal displacements at the surface respectively. The effect of the surface loading distribution on the Lamb mode amplitudes is mainly reflected by amplitude versus frequency or wavenumber. The frequencies at which the maxima and minima of the S0 or A0 mode response occur depend on the distribution of surface loading. The numerical results of simulations conducted on an infinite aluminum plate verify the theoretical prediction of not only the direction but also the distribution of applied loading. A pure S0 or A0 mode can be excited by selecting the appropriate direction and distribution at the corresponding frequency.

Visualizing the Vibration of Laryngeal Tissue during Phonation Using Ultrafast Plane Wave Ultrasonography.

PubMed

Jing, Bowen; Tang, Shanshan; Wu, Liang; Wang, Supin; Wan, Mingxi

2016-12-01

Ultrafast plane wave ultrasonography is employed in this study to visualize the vibration of the larynx and quantify the vibration phase as well as the vibration amplitude of the laryngeal tissue. Ultrasonic images were obtained at 5000 to 10,000 frames/s in the coronal plane at the level of the glottis. Although the image quality degraded when the imaging mode was switched from conventional ultrasonography to ultrafast plane wave ultrasonography, certain anatomic structures such as the vocal folds, as well as the sub- and supraglottic structures, including the false vocal folds, can be identified in the ultrafast plane wave ultrasonic image. The periodic vibration of the vocal fold edge could be visualized in the recorded image sequence during phonation. Furthermore, a motion estimation method was used to quantify the displacement of laryngeal tissue from hundreds of frames of ultrasonic data acquired. Vibratory displacement waveforms of the sub- and supraglottic structures were successfully obtained at a high level of ultrasonic signal correlation. Moreover, statistically significant differences in vibration pattern between the sub- and supraglottic structures were found. Variation of vibration amplitude along the subglottic mucosal surface is significantly smaller than that along the supraglottic mucosal surface. Phase delay of vibration along the subglottic mucosal surface is significantly smaller than that along the supraglottic mucosal surface. Copyright © 2016 World Federation for Ultrasound in Medicine & Biology. Published by Elsevier Inc. All rights reserved.

Laser backscattered from partially convex targets of large sizes in random media for E-wave polarization.

PubMed

El-Ocla, Hosam

2006-08-01

The characteristics of a radar cross section (RCS) of partially convex targets with large sizes up to five wavelengths in free space and random media are studied. The nature of the incident wave is an important factor in remote sensing and radar detection applications. I investigate the effects of beam wave incidence on the performance of RCS, drawing on the method I used in a previous study on plane-wave incidence. A beam wave can be considered a plane wave if the target size is smaller than the beam width. Therefore, to have a beam wave with a limited spot on the target, the target size should be larger than the beam width (assuming E-wave incidence wave polarization. The effects of the target configuration, random medium parameters, and the beam width on the laser RCS and the enhancement in the radar cross section are numerically analyzed, resulting in the possibility of having some sort of control over radar detection using beam wave incidence.

Nanoscale measurement of Nernst effect in two-dimensional charge density wave material 1T-TaS 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Stephen M.; Luican-Mayer, Adina; Bhattacharya, Anand

Advances in nanoscale material characterization on two-dimensional van der Waals layered materials primarily involve their optical and electronic properties. The thermal properties of these materials are harder to access due to the difficulty of thermal measurements at the nanoscale. In this work, we create a nanoscale magnetothermal device platform to access the basic out-of-plane magnetothermal transport properties of ultrathin van der Waals materials. Specifically, the Nernst effect in the charge density wave transition metal dichalcogenide 1T-TaS 2 is examined on nano-thin flakes in a patterned device structure. It is revealed that near the commensurate charge density wave (CCDW) to nearlymore » commensurate charge density wave (NCCDW) phase transition, the polarity of the Nernst effect changes. Since the Nernst effect is especially sensitive to changes in the Fermi surface, this suggests that large changes are occurring in the out-of-plane electronic structure of 1T-TaS 2, which are otherwise unresolved in just in-plane electronic transport measurements. This may signal a coherent evolution of out-of-plane stacking in the CCDW! NCCDW transition.« less

Sound pressure distribution within natural and artificial human ear canals: forward stimulation.

PubMed

Ravicz, Michael E; Tao Cheng, Jeffrey; Rosowski, John J

2014-12-01

This work is part of a study of the interaction of sound pressure in the ear canal (EC) with tympanic membrane (TM) surface displacement. Sound pressures were measured with 0.5-2 mm spacing at three locations within the shortened natural EC or an artificial EC in human temporal bones: near the TM surface, within the tympanic ring plane, and in a plane transverse to the long axis of the EC. Sound pressure was also measured at 2-mm intervals along the long EC axis. The sound field is described well by the size and direction of planar sound pressure gradients, the location and orientation of standing-wave nodal lines, and the location of longitudinal standing waves along the EC axis. Standing-wave nodal lines perpendicular to the long EC axis are present on the TM surface >11-16 kHz in the natural or artificial EC. The range of sound pressures was larger in the tympanic ring plane than at the TM surface or in the transverse EC plane. Longitudinal standing-wave patterns were stretched. The tympanic-ring sound field is a useful approximation of the TM sound field, and the artificial EC approximates the natural EC.

Evolution of the frequency chirp of Gaussian pulses and beams when passing through a pulse compressor.

PubMed

Li, Derong; Lv, Xiaohua; Bowlan, Pamela; Du, Rui; Zeng, Shaoqun; Luo, Qingming

2009-09-14

The evolution of the frequency chirp of a laser pulse inside a classical pulse compressor is very different for plane waves and Gaussian beams, although after propagating through the last (4th) dispersive element, the two models give the same results. In this paper, we have analyzed the evolution of the frequency chirp of Gaussian pulses and beams using a method which directly obtains the spectral phase acquired by the compressor. We found the spatiotemporal couplings in the phase to be the fundamental reason for the difference in the frequency chirp acquired by a Gaussian beam and a plane wave. When the Gaussian beam propagates, an additional frequency chirp will be introduced if any spatiotemporal couplings (i.e. angular dispersion, spatial chirp or pulse front tilt) are present. However, if there are no couplings present, the chirp of the Gaussian beam is the same as that of a plane wave. When the Gaussian beam is well collimated, the introduced frequency chirp predicted by the plane wave and Gaussian beam models are in closer agreement. This work improves our understanding of pulse compressors and should be helpful for optimizing dispersion compensation schemes in many applications of femtosecond laser pulses.

Wideband radar cross section reduction using two-dimensional phase gradient metasurfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yongfeng; Qu, Shaobo; Wang, Jiafu

2014-06-02

Phase gradient metasurface (PGMs) are artificial surfaces that can provide pre-defined in-plane wave-vectors to manipulate the directions of refracted/reflected waves. In this Letter, we propose to achieve wideband radar cross section (RCS) reduction using two-dimensional (2D) PGMs. A 2D PGM was designed using a square combination of 49 split-ring sub-unit cells. The PGM can provide additional wave-vectors along the two in-plane directions simultaneously, leading to either surface wave conversion, deflected reflection, or diffuse reflection. Both the simulation and experiment results verified the wide-band, polarization-independent, high-efficiency RCS reduction induced by the 2D PGM.

CMS-Wave

DTIC Science & Technology

2015-10-30

Coastal Inlets Research Program CMS -Wave CMS -Wave is a two-dimensional spectral wind-wave generation and transformation model that employs a forward...marching, finite-difference method to solve the wave action conservation equation. Capabilities of CMS -Wave include wave shoaling, refraction... CMS -Wave can be used in either on a half- or full-plane mode, with primary waves propagating from the seaward boundary toward shore. It can

Low-Frequency Plasma Waves in Saturn's Magnetosphere: A Comprehensive Analysis of Magnetometer Data from the Cassini Era (2004-2017)

NASA Astrophysics Data System (ADS)

Meeks, Z. C.; Simon, S.; Kabanovic, S.; Liuzzo, L.

2017-12-01

Based on all available Cassini magnetic field data sets collected between 2004 and 2017, we construct a three-dimensional map of ion cyclotron waves (ICWs) in the Saturnian magnetosphere. First, we survey the magnetometer data for ICWs, which can be applied to constrain the local ion production rate, as well as the mass of the newly-generated ions. We find that the occurrence rate of ion cyclotron waves decreases according to a Fermi-Dirac-like profile w.r.t. radial distance, with only few waves observed beyond the orbit of Rhea. In the north-south direction, the ICW amplitude decreases non-linearly with no waves occurring farther than two Saturnian radii from the equatorial plane. The ICWs are generated in a narrow band (extension 0.3 Saturn radii) around the planet's equatorial plane and then propagate away from the magnetic equator in both hemispheres. We derive an analytical expression for the three-dimensional shape of the region populated by ICWs. We also analyze the distribution of mirror mode waves in Saturn's equatorial magnetosphere. We find that this wave mode occurs independent of Local Time. In radial direction, we identify a transition region between L=5.5 and L=6.5 where a drastic drop of ion cyclotron wave occurrence is juxtaposed with the emergence of the mirror mode wave. On average, the dilute atmospheres around Dione and Rhea have no statistically significant impact on either the ICWs or the mirror mode waves. We then apply hybrid (kinetic ions, fluid electrons) modeling to study the generation of ion cyclotron waves (ICWs) in Saturn's equatorial magnetosphere and to convert the observed ICW amplitudes into a profile of the local ion production rate. Previously, this conversion has been done exclusively at the orbit of Enceladus (Cowee et al. (2009)), but we expand this survey to the complete occurrence realm of ion cyclotron waves in Saturn's equatorial magnetosphere (between L=3.5 and L=9.5). In doing so, we provide a relationship between the observed ion cyclotron wave amplitude and ion production rate between the orbits of Enceladus and Rhea, which we use to characterize the sources of plasma in the Saturnian system.

Noise reduction in digital holography based on a filtering algorithm

NASA Astrophysics Data System (ADS)

Zhang, Wenhui; Cao, Liangcai; Zhang, Hua; Jin, Guofan; Brady, David

2018-02-01

Holography is a tool to record the object wavefront by interference. Complex amplitude of the object wave is coded into a two dimensional hologram. Unfortunately, the conjugate wave and background wave would also appear at the object plane during reconstruction, as noise, which blurs the reconstructed object. From the perspective of wave, we propose a filtering algorithm to get a noise-reduced reconstruction. Due to the fact that the hologram is a kind of amplitude grating, three waves would appear when reconstruction, which are object wave, conjugate wave and background wave. The background is easy to eliminate by frequency domain filtering. The object wave and conjugate wave are signals to be dealt with. These two waves, as a whole, propagate in the space. However, when detected at the original object plane, the object wave would diffract into a sparse pattern while the conjugate wave would diffract into a diffused pattern forming the noise. Hence, the noise can be reduced based on these difference with a filtering algorithm. Both amplitude and phase distributions are truthfully retrieved in our simulation and experimental demonstration.

Backscattering enhancement with a finite beam width for millimeter-wavelength weather radars

NASA Astrophysics Data System (ADS)

Kobayashi, Satoru; Tanelli, Simone; Iguchi, Toshio; Im, Eastwood

2004-12-01

Backscattering enhancement from random hydrometeors should increase as wavelengths of radars reach millimeter regions. For 95 GHz radars, the reflectivity of backscattering is expected to increase by 2 dB, due to multiple scattering including backscattering enhancement, for water droplets of diameter of 1 mm with a density of 5 x 103 m-3. Previous theoretical studies of backscattering enhancement considered infinitely extending plane waves. In this paper, we expand the theory to spherical waves with a Gaussian antenna pattern, including depolarizing effects. While the differences from the plane wave results are not great when the optical thickness is small, as the latter increases the differences become significant, and essentially depend on the ratio of radar footprint radius to the mean free path of hydrometeors. In this regime, for a radar footprint that is smaller than the mean free path, the backscattering-enhancement reflectivity corresponding to spherical waves is significantly less pronounced than in the case of the plane wave theory. Hence this reduction factor must be taken into account when analyzing radar reflectivity factors for use in remote sensing applications.

Two-dimensional model of the interaction of a plane acoustic wave with nozzle edge and wing trailing edge.

PubMed

Faranosov, Georgy A; Bychkov, Oleg P

2017-01-01

The interaction of a plane acoustic wave with two-dimensional model of nozzle edge and trailing edge is investigated theoretically by means of the Wiener-Hopf technique. The nozzle edge and the trailing edge are simulated by two half-planes with offset edges. Shear layer behind the nozzle edge is represented by a vortex sheet supporting Kelvin-Helmholtz instability waves. The considered configuration combines two well-known models (nozzle edge and trailing edge), and reveals additional interesting physical aspects. To obtain the solution, the matrix Wiener-Hopf equation is solved in conjunction with a requirement that the full Kutta condition is imposed at the edges. Factorization of the kernel matrix is performed by the combination of Padé approximation and the pole removal technique. This procedure is used to obtain numerical results. The results indicate that the diffracted acoustic field may be significantly intensified due to scattering of hydrodynamic instability waves into sound waves provided that the trailing edge is close enough to the vortex sheet. Similar mechanism may be responsible for the intensification of jet noise near a wing.

Quantum phase space with a basis of Wannier functions

NASA Astrophysics Data System (ADS)

Fang, Yuan; Wu, Fan; Wu, Biao

2018-02-01

A quantum phase space with Wannier basis is constructed: (i) classical phase space is divided into Planck cells; (ii) a complete set of Wannier functions are constructed with the combination of Kohn’s method and Löwdin method such that each Wannier function is localized at a Planck cell. With these Wannier functions one can map a wave function unitarily onto phase space. Various examples are used to illustrate our method and compare it to Wigner function. The advantage of our method is that it can smooth out the oscillations in wave functions without losing any information and is potentially a better tool in studying quantum-classical correspondence. In addition, we point out that our method can be used for time-frequency analysis of signals.

Stress waves in transversely isotropic media: The homogeneous problem

NASA Technical Reports Server (NTRS)

Marques, E. R. C.; Williams, J. H., Jr.

1986-01-01

The homogeneous problem of stress wave propagation in unbounded transversely isotropic media is analyzed. By adopting plane wave solutions, the conditions for the existence of the solution are established in terms of phase velocities and directions of particle displacements. Dispersion relations and group velocities are derived from the phase velocity expressions. The deviation angles (e.g., angles between the normals to the adopted plane waves and the actual directions of their propagation) are numerically determined for a specific fiber-glass epoxy composite. A graphical method is introduced for the construction of the wave surfaces using magnitudes of phase velocities and deviation angles. The results for the case of isotropic media are shown to be contained in the solutions for the transversely isotropic media.

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.

A wavenumber approach to analysing the active control of plane waves with arrays of secondary sources

NASA Astrophysics Data System (ADS)

Elliott, Stephen J.; Cheer, Jordan; Bhan, Lam; Shi, Chuang; Gan, Woon-Seng

2018-04-01

The active control of an incident sound field with an array of secondary sources is a fundamental problem in active control. In this paper the optimal performance of an infinite array of secondary sources in controlling a plane incident sound wave is first considered in free space. An analytic solution for normal incidence plane waves is presented, indicating a clear cut-off frequency for good performance, when the separation distance between the uniformly-spaced sources is equal to a wavelength. The extent of the near field pressure close to the source array is also quantified, since this determines the positions of the error microphones in a practical arrangement. The theory is also extended to oblique incident waves. This result is then compared with numerical simulations of controlling the sound power radiated through an open aperture in a rigid wall, subject to an incident plane wave, using an array of secondary sources in the aperture. In this case the diffraction through the aperture becomes important when its size is compatible with the acoustic wavelength, in which case only a few sources are necessary for good control. When the size of the aperture is large compared to the wavelength, and diffraction is less important but more secondary sources need to be used for good control, the results then become similar to those for the free field problem with an infinite source array.

Stability analysis for acoustic wave propagation in tilted TI media by finite differences

NASA Astrophysics Data System (ADS)

Bakker, Peter M.; Duveneck, Eric

2011-05-01

Several papers in recent years have reported instabilities in P-wave modelling, based on an acoustic approximation, for inhomogeneous transversely isotropic media with tilted symmetry axis (TTI media). In particular, instabilities tend to occur if the axis of symmetry varies rapidly in combination with strong contrasts of medium parameters, which is typically the case at the foot of a steeply dipping salt flank. In a recent paper, we have proposed and demonstrated a P-wave modelling approach for TTI media, based on rotated stress and strain tensors, in which the wave equations reduce to a coupled set of two second-order partial differential equations for two scalar stress components: a normal component along the variable axis of symmetry and a lateral component of stress in the plane perpendicular to that axis. Spatially constant density is assumed in this approach. A numerical discretization scheme was proposed which uses discrete second-derivative operators for the non-mixed second-order derivatives in the wave equations, and combined first-derivative operators for the mixed second-order derivatives. This paper provides a complete and rigorous stability analysis, assuming a uniformly sampled grid. Although the spatial discretization operator for the TTI acoustic wave equation is not self-adjoint, this operator still defines a complete basis of eigenfunctions of the solution space, provided that the solution space is somewhat restricted at locations where the medium is elliptically anisotropic. First, a stability analysis is given for a discretization scheme, which is purely based on first-derivative operators. It is shown that the coefficients of the central difference operators should satisfy certain conditions. In view of numerical artefacts, such a discretization scheme is not attractive, and the non-mixed second-order derivatives of the wave equation are discretized directly by second-derivative operators. It is shown that this modification preserves stability, provided that the central difference operators of the second-order derivatives dominate over the twice applied operators of the first-order derivatives. In practice, it turns out that this is almost the case. Stability of the desired discretization scheme is enforced by slightly weighting down the mixed second-order derivatives in the wave equation. This has a minor, practically negligible, effect on the kinematics of wave propagation. Finally, it is shown that non-reflecting boundary conditions, enforced by applying a taper at the boundaries of the grid, do not harm the stability of the discretization scheme.

The dissociation energy of N2

NASA Technical Reports Server (NTRS)

Almloef, Jan; Deleeuw, Bradley J.; Taylor, Peter R.; Bauschlicher, Charles W., Jr.; Siegbahn, Per

1989-01-01

The requirements for very accurate ab initio quantum chemical prediction of dissociation energies are examined using a detailed investigation of the nitrogen molecule. Although agreement with experiment to within 1 kcal/mol is not achieved even with the most elaborate multireference CI (configuration interaction) wave functions and largest basis sets currently feasible, it is possible to obtain agreement to within about 2 kcal/mol, or 1 percent of the dissociation energy. At this level it is necessary to account for core-valence correlation effects and to include up to h-type functions in the basis. The effect of i-type functions, the use of different reference configuration spaces, and basis set superposition error were also investigated. After discussing these results, the remaining sources of error in our best calculations are examined.

75 FR 27618 - Notice of Passenger Facility Charge (PFC) Approvals and Disapprovals

Federal Register 2010, 2011, 2012, 2013, 2014

2010-05-17

... scheduled, whole plane charter basis and not selling tickets to individual passengers; (2) air carriers operating under part 298 on an on-demand, non scheduled, whole plane charter basis and not selling tickets...

Monochromatic plane-fronted waves in conformal gravity are pure gauge

NASA Astrophysics Data System (ADS)

Fabbri, Luca; Paranjape, M. B.

2011-05-01

We consider plane-fronted, monochromatic gravitational waves on a Minkowski background, in a conformally invariant theory of general relativity. By this we mean waves of the form: gμν=ημν+γμνF(k·x), where γμν is a constant polarization tensor, and kμ is a lightlike vector. We also assume the coordinate gauge condition |g|-1/4∂τ(|g|1/4gστ)=0 which is the conformal analog of the harmonic gauge condition gμνΓμνσ=-|g|-1/2∂τ(|g|1/2gστ)=0, where det⁡[gμν]≡g. Requiring additionally the conformal gauge condition g=-1 surprisingly implies that the waves are both transverse and traceless. Although the ansatz for the metric is eminently reasonable when considering perturbative gravitational waves, we show that the metric is reducible to the metric of Minkowski space-time via a sequence of coordinate transformations which respect the gauge conditions, without any perturbative approximation that γμν be small. This implies that we have, in fact, exact plane-wave solutions; however, they are simply coordinate/conformal artifacts. As a consequence, they carry no energy. Our result does not imply that conformal gravity does not have gravitational wave phenomena. A different, more generalized ansatz for the deviation, taking into account the fourth-order nature of the field equation, which has the form gμν=ημν+Bμν(n·x)G(k·x), indeed yields waves which carry energy and momentum [P. D. Mannheim, Gen. Relativ. Gravit.GRGVA80001-7701 43, 703 (2010)10.1007/s10714-010-1088-z]. It is just surprising that transverse, traceless, plane-fronted gravitational waves, those that would be used in any standard, perturbative, quantum analysis of the theory, simply do not exist.

Comment on "Collision of plane gravitational waves without singularities"

NASA Astrophysics Data System (ADS)

Nutku, Y.

1981-08-01

An incorrect paper was published by B. J. Stoyanov carrying the title above. Here we shall point out a coordinate transformation whereby "the new exact solution" of his paper is recognized as a Kasner universe. Further, we shall show that Stoyanov's interpretation of the Kasner solution as colliding plane gravitational waves runs into the difficulty that the Einstein field equations are not satisfied everywhere.

Comment on ''Collision of plane gravitational waves without singularities''

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nutku, Y.

1981-08-15

An incorrect paper was published by B. J. Stoyanov carrying the title above. Here we shall point out a coordinate transformation whereby ''the new exact solution'' of his paper is recognized as a Kasner universe. Further, we shall show that Stoyanov's interpretation of the Kasner solution as colliding plane gravitational waves runs into the difficulty that the Einstein field equations are not satisfied everywhere.

Role of helicity in triad interactions in three-dimensional turbulence investigated by a new shell model

NASA Astrophysics Data System (ADS)

Rathmann, Nicholas M.; Ditlevsen, Peter D.

2016-09-01

Fully developed homogeneous isotropic turbulence in two dimensions is fundamentally different from that in three dimensions. In two dimensions, the simultaneous inviscid conservation of both kinetic energy and enstrophy within the inertial range of scales leads to a forward cascade of enstrophy and a reverse cascade of energy. In three dimensions, helicity, the integral of the scalar product of velocity and vorticity, is also an inviscid flow invariant along with the energy. Unlike the enstrophy, however, the helicity does not block the forward cascade of energy to small scales. Energy and helicity are conserved not only globally but also within each nonlinear triadic interaction between three plane waves in the spectral form of the Navier-Stokes equation (NSE). By decomposing each plane wave into two helical modes of opposite helicities, each triadic interaction is split into a set of eight helical triadic interactions between helical modes [F. Waleffe, Phys. Fluids A 4, 350 (1992), 10.1063/1.858309]. Recently it was found that a subset of these helical interactions, which render both signs of helicity separately conserved (enstrophy-like), leads to an inverse cascade of (part of) the energy [L. Biferale et al., Phys. Rev. Lett. 108, 164501 (2012), 10.1103/PhysRevLett.108.164501]. Motivated by this finding we introduce a new shell model, obtained from the NSE expressed in the helical basis, allowing the eight helical interactions to be coupled as in the NSE and their relative contributions evaluated as a function of both the net helicity input and triad geometry. By numerically integrating the new model, we find that the intermittency of the energy cascade decreases with the net helicity input. Studying the partitioning of the energy cascade between the eight helical interactions, we find that the decrease in intermittency is related to a shift in the dominating helical interactions when helically forced, two of which exhibit a larger cascade intermittency than the other six interactions. Among the relatively local triad geometries considered here, the partitioning of the energy and helicity cascades between the eight helical interactions shows no sign of change with triad geometry.

Propagation of Sound at Moderate and High Intensities in Absorbent and Hard-Walled Cylindrical Ducts. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Mcdaniel, Oliver Herbert

1975-01-01

The propagation of plane wave and higher order acoustic modes in both hard-walled and absorbent cylindrical ducts was studied at moderate sound intensities where the linear wave equation is valid, and at high intensities where nonlinear effects can be observed. The experiments were conducted with an anechoically terminated twelve-inch inside-diameter transite pipe. Various types of sound sources were mounted at one end of the duct to generate the desired acoustic fields within the duct. Arrays of conventional loudspeakers were used to generate plane waves and higher order acoustic modes at moderate intensities, and an array of four high intensity electro-pneumatic sound sources was used for the experiments in the nonlinear region. The attenuation of absorbent liners made of several different materials was obtained at moderate intensities for both plane waves and high order modes. It was found that the characteristics of the liners studied did not change appreciably at high intensities.

Anisotropic itinerant magnetism and spin fluctuations in BaFe2As2 : A neutron scattering study

NASA Astrophysics Data System (ADS)

Matan, K.; Morinaga, R.; Iida, K.; Sato, T. J.

2009-02-01

Neutron scattering measurements were performed to investigate magnetic excitations in a single-crystal sample of the ternary iron arsenide BaFe2As2 , a parent compound of a recently discovered family of Fe-based superconductors. In the ordered state, we observe low energy spin-wave excitations with a gap energy Δ=9.8(4)meV . The in-plane spin-wave velocity vab and out-of-plane spin-wave velocity vc measured at 12 meV are 280(150) and 57(7)meVÅ , respectively. At high energy, we observe anisotropic scattering centered at the antiferromagnetic wave vectors. This scattering indicates two-dimensional spin dynamics, which possibly exist inside the Stoner continuum. At TN=136(1)K , the gap closes and quasielastic scattering is observed above TN , indicative of short-range spin fluctuations. In the paramagnetic state, the scattering intensity along the L direction becomes “rodlike,” characteristic of uncorrelated out-of-plane spins, attesting to the two-dimensionality of the system.

Structural electronic and mechanical properties of YM2 (M=Mn, Fe, Co) laves phase compounds: First principle calculations analyzed with datamining approach

NASA Astrophysics Data System (ADS)

Saidi, F.; Sebaa, N.; Mahmoudi, A.; Aourag, H.; Merad, G.; Dergal, M.

2018-06-01

We performed first-principle calculations to investigate structural, phase stability, electronic and mechanical properties for the Laves phases YM2 (M = Mn, Fe, Co) with C15, C14 and C36 structures. We used the density functional theory within the framework of both pseudo-potentials and plane wave basis using VASP (Vienna Ab Initio Software Package). The calculated equilibrium structural parameters are in accordance with available theoretical values. Mechanical properties were calculated, discussed, and analyzed with data mining approach in terms of structure stability. The results reveal that YCo2 is harder than YFe2 and YMn2.

Incentive and Architecture of Multi-Band Enabled Small Cell and UE for Up-/Down-Link and Control-/User-Plane Splitting for 5G Mobile Networks

NASA Astrophysics Data System (ADS)

Saha, Rony Kumer; Aswakul, Chaodit

2017-01-01

In this paper, a multi-band enabled femtocell base station (FCBS) and user equipment (UE) architecture is proposed in a multi-tier network that consists of small cells, including femtocells and picocells deployed over the coverage of a macrocell for splitting uplink and downlink (UL/DL) as well as control-plane and user-plane (C-/U-plane) for 5G mobile networks. Since splitting is performed at the same FCBS, we define this architecture as the same base station based split architecture (SBSA). For multiple bands, we consider co-channel (CC) microwave and different frequency (DF) 60 GHz millimeter wave (mmWave) bands for FCBSs and UEs with respect to the microwave band used by their over-laid macrocell base station. All femtocells are assumed to be deployed in a 3-dimensional multi-storage building. For CC microwave band, cross-tier CC interference of femtocells with macrocell is avoided using almost blank subframe based enhanced inter-cell interference coordination techniques. The co-existence of CC microwave and DF mmWave bands for SBSA on the same FCBS and UE is first studied to show their performance disparities in terms of system capacity and spectral efficiency in order to provide incentives for employing multiple bands at the same FCBS and UE and identify a suitable band for routing decoupled UL/DL or C-/U-plane traffic. We then present a number of disruptive architectural design alternatives of multi-band enabled SBSA for 5G mobile networks for UL/DL and C-/U-plane splitting, including a disruptive and complete splitting of UL/DL and C-/U-plane as well as a combined UL/DL and C-/U-plane splitting, by exploiting dual connectivity on CC microwave and DF mmWave bands. The outperformances of SBSA in terms of system level capacity, average spectral efficiency, energy efficiency, and control-plane overhead traffic capacity in comparison with different base stations based split architecture (DBSA) are shown. Finally, a number of technical and business perspectives as well as key research issues of SBSA are discussed.

Restricted Modal Analysis Applied to Internal Annular Combustor Autospectra and Cross-Spectra Measurements

NASA Technical Reports Server (NTRS)

Miles, Jeffrey Hilton

2007-01-01

A treatment of the modal decomposition of the pressure field in a combustor as determined by two pressure time history measurements is developed herein. It is applied to a Pratt and Whitney PW4098 engine combustor over a range of operating conditions. For modes other than the plane wave the assumption is made that there are distinct frequency bands in which the individual modes, including the plane wave mode, overlap such that if circumferential mode m and circumferential mode m-1 are present then circumferential mode m-2 is not. In the analysis used herein at frequencies above the first cutoff mode frequency, only pairs of circumferential modes are individually present at each frequency. Consequently, this is a restricted modal analysis. As part of the analysis one specifies mode cut-on frequencies. This creates a set of frequencies that each mode spans. One finding was the successful use of the same modal span frequencies over a range of operating conditions for this particular engine. This suggests that for this case the cut-on frequencies are in proximity at each operating condition. Consequently, the combustion noise spectrum related to the circumferential modes might not change much with operating condition.

Dependence of near field co-seismic ionospheric perturbations on surface deformations: A case study based on the April, 25 2015 Gorkha Nepal earthquake

NASA Astrophysics Data System (ADS)

Sunil, A. S.; Bagiya, Mala S.; Catherine, Joshi; Rolland, Lucie; Sharma, Nitin; Sunil, P. S.; Ramesh, D. S.

2017-03-01

Ionospheric response to the recent 25 April 2015 Gorkha, Nepal earthquake is studied in terms of Global Positioning System-Total Electron Content (GPS-TEC) from the viewpoints of source directivity, rupture propagation and associated surface deformations, over and near the fault plane. The azimuthal directivity of co-seismic ionospheric perturbations (CIP) amplitudes from near field exhibit excellent correlation with east-southeast propagation of earthquake rupture and associated surface deformations. In addition, the amplitude of CIP is observed to be very small in the opposite direction of the rupture movement. Conceptual explanations on the poleward directivity of CIP exist in literature, we show the observational evidences of additional equator ward directivity, interpreted in terms of rupture propagation direction. We also discuss the coupling between earthquake induced acoustic waves and local geomagnetic field and its effects on near field CIP amplitudes. We suggest that variability of near field CIP over and near the fault plane are the manifestations of the geomagnetic field-wave coupling in addition to crustal deformations that observed through GPS measurements and corroborated by Interferometric Synthetic Aperture Radar (InSAR) data sets.

Constraints on the Geometry of the Farallon Slab from the Joint Interpretation of All Available Imaging Results from the Earthscope USArray Deployment in the Lower 48 States

NASA Astrophysics Data System (ADS)

Esker, A.; Pavlis, G. L.

2017-12-01

We assembled all available seismic tomography models distributed through the IRIS DMC and other sources. We combined these images with our own results using 3D plane wave migration of P to S conversion data derived from the USArray data set and other broadband seismic stations in the lower 48 states. All the tomography models were converted into SEGY format and interpolated onto a regular grid in a UTM reference frame. That innovation makes joint interpretation feasible using a seismic interpretation software (Petrel) because we treat both the tomography models and scattered wave image results as if they were 3D seismic reflection data. The careful designed interface of a modern exploration package makes exploring a range of interpretation packages much faster and allowed us to produce a more comprehensive interpretation of all available data. The tomography models are nearly an order of magnitude smoother than the scattered wave images, so we use the tomography models as a cross-validation in interpretation unless the scattered wave images are ambiguous. The focus of this study is testing a conjecture in an earlier paper (Pavlis, 2011) for the presence of a single continuous horizon interpreted as the top of the Farallon Slab. As in the previous paper we constrained the western edge of this surface with the location of Cascadia trench as well as a virtual edge from a back projection of the Mendocino triple junction using Pacific-North America motion over the past 30 Ma. We also simulated crustal multiple effects on the plane wave migration results using crustal geometry estimates produced by the Earthscope Automated Receiver Survey (EARS). This confirmed the scattered wave images were not reliable in the upper mantle at depths shallower than 200 km due to contamination by crustal multiples. Most tomography models show a steep dip in the slab immediately east of the volcanic arc and our surface follows the average geometry defined by a visual comparison of all the models. In eastern Oregon and northern Nevada the tomography models consistently show a general flattening of the slab over the 410 km discontinuity. A consistent horizon is observed in the most recent plane wave imaging and at we use that horizon to define the top of slab there. Our interpretations also confirmed a sharp increase in dip of the slab in eastern Wyoming and Montana.

Rotational elasticity

NASA Astrophysics Data System (ADS)

Vassiliev, Dmitri

2017-04-01

We consider an infinite three-dimensional elastic continuum whose material points experience no displacements, only rotations. This framework is a special case of the Cosserat theory of elasticity. Rotations of material points are described mathematically by attaching to each geometric point an orthonormal basis that gives a field of orthonormal bases called the coframe. As the dynamical variables (unknowns) of our theory, we choose the coframe and a density. We write down the general dynamic variational functional for our rotational theory of elasticity, assuming our material to be physically linear but the kinematic model geometrically nonlinear. Allowing geometric nonlinearity is natural when dealing with rotations because rotations in dimension three are inherently nonlinear (rotations about different axes do not commute) and because there is no reason to exclude from our study large rotations such as full turns. The main result of the talk is an explicit construction of a class of time-dependent solutions that we call plane wave solutions; these are travelling waves of rotations. The existence of such explicit closed-form solutions is a non-trivial fact given that our system of Euler-Lagrange equations is highly nonlinear. We also consider a special case of our rotational theory of elasticity which in the stationary setting (harmonic time dependence and arbitrary dependence on spatial coordinates) turns out to be equivalent to a pair of massless Dirac equations. The talk is based on the paper [1]. [1] C.G.Boehmer, R.J.Downes and D.Vassiliev, Rotational elasticity, Quarterly Journal of Mechanics and Applied Mathematics, 2011, vol. 64, p. 415-439. The paper is a heavily revised version of preprint https://arxiv.org/abs/1008.3833

Scattering of antiplane shear waves by a circular cylinder in a traction-free plate

PubMed

Wang; Ying; Li

2000-09-01

Following a well-established formula used by many researchers, the scattering of an anti-plane shear wave by an infinite elastic cylinder of arbitrary relative radius centered in a traction-free two-dimensional isotropic plate has been examined. The plate is divided into three regions by introducing two imaginary planes located symmetrically away from the surface of the cylinder and perpendicular to surfaces of the plate. The wave field is expanded into cylinder wave modes in the central bounded region containing the cylinder, while the fields in the other two outer regions are expanded into plate wave modes. A system of equations determining the expansion coefficients is obtained according to the traction-free boundary conditions on the plate walls and the stress and displacement continuity conditions across the imaginary planes. By taking an appropriate finite number of terms of the infinite expansion series and a few selected points on the two properly chosen virtual planes and the surfaces of the plate through convergence and precision tests, a matrix equation to numerically evaluate the expansion coefficients is found. The method of how to choose the locations of the imaginary planes and the terms of the expansion series as well as the points on each respective boundary is given in Sec. III in detail. Curves of the reflection and transmission coefficients against the relative radius of the cylinder in welded and slip or cracked interfacial conditions are shown. Analysis on the contrast variations of the reflection and transmission coefficients for a cylinder in bonded and debonded interfacial situations is made. The relative errors estimated by the deviation of the numerical results from the principle of the conservation of energy are found to be less than 2%.

Scattering of plane evanescent waves by cylindrical shells and wave vector coupling conditions for exciting flexural waves

NASA Astrophysics Data System (ADS)

Marston, Philip L.

2002-05-01

The coupling of sound to buried targets can be associated with acoustic evanescent waves when the sea bottom is smooth. To understand the excitation of flexural waves on buried shells by acoustic evanescent waves, the partial wave series for the scattering is found for cylindrical shells at normal incidence in an unbounded medium. The formulation uses the simplifications of thin-shell dynamics. In the case of ordinary waves incident on a shell, a ray formulation is available to describe the coupling to subsonic flexural waves [P. L. Marston and N. H. Sun, J. Acoust. Soc. Am. 97, 777-783 (1995)]. When the incident wave is evanescent, the distance between propagating plane wavefronts is smaller than the ordinary acoustical wavelength at the same frequency and the coupling condition for the excitation of flexural waves on shells or plates is modified. Instead of matching the flexural wave number with the propagating part of the acoustic wave number only at the coincidence frequency, a second low-frequency wave number matching condition is found for highly evanescent waves. Numerical evaluation of the modified partial-wave-series appropriate for an evanescent wave is used to investigate the low-frequency coupling of evanescent waves with flexural wave resonances of shells.

Rogue Wave Modes for the Long Wave-Short Wave Resonance and the Derivative Nonlinear Schrödinger Models

NASA Astrophysics Data System (ADS)

Chan, Hiu Ning; Chow, Kwok Wing; Kedziora, David Jacob; Grimshaw, Roger Hamilton James; Ding, Edwin

2014-11-01

Rogue waves are unexpectedly large displacements of the water surface and will obviously pose threat to maritime activities. Recently, the formation of rogue waves is correlated with the onset of modulation instabilities of plane waves of the system. The long wave-short wave resonance and the derivative nonlinear Schrödinger models are considered. They are relevant in a two-layer fluid and a fourth order perturbation expansion of free surface waves respectively. Analytical solutions of rogue wave modes for the two models are derived by the Hirota bilinear method. Properties and amplitudes of these rogue wave modes are investigated. Conditions for modulation instability of the plane waves are shown to be precisely the requirements for the occurrence of rogue waves. In contrast with the nonlinear Schrödinger equation, rogue wave modes for the derivative nonlinear Schrödinger model exist even if the dispersion and cubic nonlinearity are of the opposite signs, provided that a sufficiently strong self-steepening nonlinearity is present. Extensions to the coupled case (multiple waveguides) will be discussed. This work is partially supported by the Research Grants Council General Research Fund Contract HKU 711713E.

Resonant Triad in Boundary-Layer Stability. Part 2; Composite Solution and Comparison with Observations

NASA Technical Reports Server (NTRS)

Mankbadi, Reda R.

1991-01-01

Here, numerical results are computed from an asymptotic near-resonance triad analysis. The analysis considers a resonant triad of instability waves consisting of a plane fundamental wave and a pair of symmetrical oblique subharmonic waves. The relevant scaling ensures that nonlinearity is confined to a distinct critical layer. The analysis is first used to form a composite solution that accounts for both the flow divergence and nonlinear effects. It is shown that the backreaction on the plane Tollmien Schlichting (TS) fundamental wave, although fully accounted for, is of little significance. The observed enhancement at the fundamental frequency disturbance is not in the plane TS wave, but is caused by nonlinearly generated waves at the fundamental frequency that result from nonlinear interactions in the critical layer. The saturation of the oblique waves is caused by their self-interaction. The nonlinear phase-locking phenomenon, the location of resonance with respect to the neutral stability curve, low frequency effects, detuning in the streamwise wave numbers, and nonlinear distortion of the mode shapes are discussed. Nonlinearity modifies the initially two dimensional Blasius profile into a fuller one with spanwise periodicity. The interactions at a wide range of unstable spanwise wave numbers are considered, and the existence of a preferred spanwise wave number is explained by means of the vorticity distribution in the critical layer. Besides presenting novel features of the phenomena and explaining the delicate mechanisms of the interactions, the results of the theory are in excellent agreement with experimental and numerical observations for all stages of the development and for various input parameters.

The 3D modeling of high numerical aperture imaging in thin films

NASA Technical Reports Server (NTRS)

Flagello, D. G.; Milster, Tom

1992-01-01

A modelling technique is described which is used to explore three dimensional (3D) image irradiance distributions formed by high numerical aperture (NA is greater than 0.5) lenses in homogeneous, linear films. This work uses a 3D modelling approach that is based on a plane-wave decomposition in the exit pupil. Each plane wave component is weighted by factors due to polarization, aberration, and input amplitude and phase terms. This is combined with a modified thin-film matrix technique to derive the total field amplitude at each point in a film by a coherent vector sum over all plane waves. Then the total irradiance is calculated. The model is used to show how asymmetries present in the polarized image change with the influence of a thin film through varying degrees of focus.

Reflection of Lamb waves obliquely incident on the free edge of a plate.

PubMed

Santhanam, Sridhar; Demirli, Ramazan

2013-01-01

The reflection of obliquely incident symmetric and anti-symmetric Lamb wave modes at the edge of a plate is studied. Both in-plane and Shear-Horizontal (SH) reflected wave modes are spawned by an obliquely incident in-plane Lamb wave mode. Energy reflection coefficients are calculated for the reflected wave modes as a function of frequency and angle of incidence. This is done by using the method of orthogonal mode decomposition and by enforcing traction free conditions at the plate edge using the method of collocation. A PZT sensor network, affixed to an Aluminum plate, is used to experimentally verify the predictions of the analysis. Experimental results provide support for the analytically determined results. Copyright © 2012 Elsevier B.V. All rights reserved.

Transmission of sound across a vortex layer enclosing a cylindrical column of jet

NASA Technical Reports Server (NTRS)

Luh, R.; Chao, C. C.

1982-01-01

An approximate solution to the problem of transmission of sound across a cylindrical vortex was obtained. Results are considerably different from the plane vortex sheet case because of the added role played by the curvature of the jet. In comparison with the plane case, the specularly transmitted waves are more complex and require some numerical integration. Resonance waves are identically predicted for M 2, but there is also a wave field whose modified effect appears to extend the region of resonance just as the instability waves cover a region in space and time. The instability waves are predicted to exist for all Mach numbers but vanish for wavelengths that are large compared to the jet radius. The region of propagation is similarly wavelength dependent.

Expressions for the spherical-wave-structure function based on a bump spectrum model for the index of refraction

NASA Astrophysics Data System (ADS)

Richardson, Christina E.; Andrews, Larry C.

1991-07-01

New spectra models have recently been developed for the spatial power spectra of temperature and refractive index fluctuations in the atmospheric boundary layer showing the characteristic 'bump' just prior to the dissipation ranges. Theoretical work involving these new models has led to new expressions for the phase structure function associated with a plane optical wave, although most experimental work has involved spherical waves. Following techniques similar to those used for the plane wave analysis, new expressions valid in geometrical and diffraction regimes are developed here for the phase structure function of a spherical optical wave propagating through clear-air atmospheric turbulence. Useful asymptotic formulas for small separation distances and the inertial subrange are derived from these general expressions.

Shallow Water Quasi-Geostrophic Theory on the Sphere

NASA Astrophysics Data System (ADS)

Schubert, Wayne H.; Taft, Richard K.; Silvers, Levi G.

2009-02-01

Quasi-geostrophic theory forms the basis for much of our understanding of mid-latitude atmospheric dynamics. The theory is typically presented in either its f-plane form or its β-plane form. However, for many applications, including diagnostic use in global climate modeling, a fully spherical version would be most useful. Such a global theory does in fact exist and has for many years, but few in the scientific community seem to have ever been aware of it. In the context of shallow water dynamics, it is shown that the spherical version of quasigeostrophic theory is easily derived (re-derived) based on a partitioning of the flow between nondivergent and irrotational components, as opposed to a partitioning between geostrophic and ageostrophic components. In this way, the invertibility principle is expressed as a relation between the streamfunction and the potential vorticity, rather than between the geopotential and the potential vorticity. This global theory is then extended by showing that the invertibility principle can be solved analytically using spheroidal harmonic transforms, an advancement that greatly improves the usefulness of this "forgotten" theory. When the governing equation for the time evolution of the potential vorticity is linearized about a state of rest, a simple Rossby-Haurwitz wave dispersion relation is derived and examined. These waves have a horizontal structure described by spheroidal harmonics, and the Rossby-Haurwitz wave frequencies are given in terms of the eigenvalues of the spheroidal harmonic operator. Except for sectoral harmonics with low zonal wavenumber, the quasi-geostrophic Rossby-Haurwitz frequencies agree very well with those calculated from the primitive equations. One of the many possible applications of spherical quasi-geostrophic theory is to the study of quasi-geostrophic turbulence on the sphere. In this context, the theory is used to derive an anisotropic Rhines barrier in three-dimensional wavenumber space.

Reconstruction of transient vibration and sound radiation of an impacted plate using time domain plane wave superposition method

NASA Astrophysics Data System (ADS)

Geng, Lin; Zhang, Xiao-Zheng; Bi, Chuan-Xing

2015-05-01

Time domain plane wave superposition method is extended to reconstruct the transient pressure field radiated by an impacted plate and the normal acceleration of the plate. In the extended method, the pressure measured on the hologram plane is expressed as a superposition of time convolutions between the time-wavenumber normal acceleration spectrum on a virtual source plane and the time domain propagation kernel relating the pressure on the hologram plane to the normal acceleration spectrum on the virtual source plane. By performing an inverse operation, the normal acceleration spectrum on the virtual source plane can be obtained by an iterative solving process, and then taken as the input to reconstruct the whole pressure field and the normal acceleration of the plate. An experiment of a clamped rectangular steel plate impacted by a steel ball is presented. The experimental results demonstrate that the extended method is effective in visualizing the transient vibration and sound radiation of an impacted plate in both time and space domains, thus providing the important information for overall understanding the vibration and sound radiation of the plate.

The Microtremor H/V Spectral Ratio: The Physical Basis of the Diffuse Field Assumption

NASA Astrophysics Data System (ADS)

Sanchez-Sesma, F. J.

2016-12-01

The microtremor H/V spectral ratio (MHVSR) is popular to obtain the dominant frequency at a site. Despite the success of MHVSR some controversy arose regarding its physical basis. One approach is the Diffuse Field Assumption, DFA. It is then assumed that noise diffuse features come from multiple scattering within the medium. According to theory, the average of the autocorrelation is proportional to directional energy density (DED) and to the imaginary part of the Green's function for same source and receiver. Then, the square of MHVSR is a ratio of DEDs which, in a horizontally layered system, is 2xImG11/ImG33, where ImG11 and ImG33 are the imaginary parts of Green's functions for horizontal and vertical components. This has physical implications that emerge from the duality DED-force, implicit in the DFA. Consider a surface force at a half-space. The radiated energy is carried away by various wave types and the proportions of each one are precisely the fractions of the energy densities of a diffuse elastic wave field at the free surface. Thus, some properties of applied forces are also characteristics of DEDs. For example, consider a Poisson solid. For a normal point load, 67 per cent of energy is carried away by Rayleigh waves. For the tangential case, it is less well known that, 77 per cent of energy goes as shear waves. In a full space, 92 per cent of the energy is emitted as shear waves. The horizontal DED at the half-space surface implies significant emission of down-going shear waves that explains the curious stair-like resonance spectrum of ImG11. Both ImG11 and ImG33 grow linearly versus frequency and this represents wave emission. For a layered medium, besides wave emission, the ensuing variations correspond to reflected waves. For high frequencies, ImG33 depends on the properties of the top layer. Reflected body waves are very small and Rayleigh waves behave in the top layer as in a kind of mini half-space. From HVSR one can invert the velocity model using the DFA. It is possible to compute efficiently the imaginary part of the Green's functions from the integrals along the radial wavenumber k. This can be made using either the Bouchon DWN method or the Cauchy residue theorem to get the pole contributions of Rayleigh and Love surface waves in the k complex plane. This allows separating the contributions of each wave type.

Two different kinds of rogue waves in weakly crossing sea states

NASA Astrophysics Data System (ADS)

Ruban, V. P.

2009-06-01

Formation of giant waves in sea states with two spectral maxima centered at close wave vectors k0±Δk/2 in the Fourier plane is numerically simulated using the fully nonlinear model for long-crested water waves [V. P. Ruban, Phys. Rev. E 71, 055303(R) (2005)]. Depending on an angle θ between the vectors k0 and Δk , which determines a typical orientation of interference stripes in the physical plane, rogue waves arise having different spatial structure. If θ≲arctan(1/2) , then typical giant waves are relatively long fragments of essentially two-dimensional (2D) ridges, separated by wide valleys and consisting of alternating oblique crests and troughs. At nearly perpendicular k0 and Δk , the interference minima develop to coherent structures similar to the dark solitons of the nonlinear Schrodinger equation, and a 2D freak wave looks much as a piece of a one-dimensional freak wave bounded in the transversal direction by two such dark solitons.

Evolution of a Directional Wave Spectrum in a 3D Marginal Ice Zone with Random Floe Size Distribution

NASA Astrophysics Data System (ADS)

Montiel, F.; Squire, V. A.

2013-12-01

A new ocean wave/sea-ice interaction model is proposed that simulates how a directional wave spectrum evolves as it travels through a realistic marginal ice zone (MIZ), where wave/ice dynamics are entirely governed by coherent conservative wave scattering effects. Field experiments conducted by Wadhams et al. (1986) in the Greenland Sea generated important data on wave attenuation in the MIZ and, particularly, on whether the wave spectrum spreads directionally or collimates with distance from the ice edge. The data suggest that angular isotropy, arising from multiple scattering by ice floes, occurs close to the edge and thenceforth dominates wave propagation throughout the MIZ. Although several attempts have been made to replicate this finding theoretically, including by the use of numerical models, none have confronted this problem in a 3D MIZ with fully randomised floe distribution properties. We construct such a model by subdividing the discontinuous ice cover into adjacent infinite slabs of finite width parallel to the ice edge. Each slab contains an arbitrary (but finite) number of circular ice floes with randomly distributed properties. Ice floes are modeled as thin elastic plates with uniform thickness and finite draught. We consider a directional wave spectrum with harmonic time dependence incident on the MIZ from the open ocean, defined as a continuous superposition of plane waves traveling at different angles. The scattering problem within each slab is then solved using Graf's interaction theory for an arbitrary incident directional plane wave spectrum. Using an appropriate integral representation of the Hankel function of the first kind (see Cincotti et al., 1993), we map the outgoing circular wave field from each floe on the slab boundaries into a directional spectrum of plane waves, which characterizes the slab reflected and transmitted fields. Discretizing the angular spectrum, we can obtain a scattering matrix for each slab. Standard recursive techniques are then used to solve the problem for the full MIZ. Wave attenuation data are obtained using ensemble averaging and preliminary comparisons with field experiment data will be given in the presentation. The model also offers important insights in regards to the spreading of the directional wave spectrum as it penetrates deeper into the MIZ. Cincotti, G., Gori, F., Santarsiero, M., Frezza, F., Furno, F., and Schettini, G. (1993). Plane wave expansion of cylindrical functions. Opt. Commun., 95(4):192-198. Wadhams, P., Squire, V. A., Ewing, J. A., and Pascal, R. W. (1986). The effect of the marginal ice zone on the directional wave spectrum of the ocean. J. Phys. Oceanogr., 16:358-376.

Neural network post-processing of grayscale optical correlator

NASA Technical Reports Server (NTRS)

Lu, Thomas T; Hughlett, Casey L.; Zhoua, Hanying; Chao, Tien-Hsin; Hanan, Jay C.

2005-01-01

In this paper we present the use of a radial basis function neural network (RBFNN) as a post-processor to assist the optical correlator to identify the objects and to reject false alarms. Image plane features near the correlation peaks are extracted and fed to the neural network for analysis. The approach is capable of handling large number of object variations and filter sets. Preliminary experimental results are presented and the performance is analyzed.

Regional seismic wavefield computation on a 3-D heterogeneous Earth model by means of coupled traveling wave synthesis

USGS Publications Warehouse

Pollitz, F.F.

2002-01-01

I present a new algorithm for calculating seismic wave propagation through a three-dimensional heterogeneous medium using the framework of mode coupling theory originally developed to perform very low frequency (f < ???0.01-0.05 Hz) seismic wavefield computation. It is a Greens function approach for multiple scattering within a defined volume and employs a truncated traveling wave basis set using the locked mode approximation. Interactions between incident and scattered wavefields are prescribed by mode coupling theory and account for the coupling among surface waves, body waves, and evanescent waves. The described algorithm is, in principle, applicable to global and regional wave propagation problems, but I focus on higher frequency (typically f ??????0.25 Hz) applications at regional and local distances where the locked mode approximation is best utilized and which involve wavefields strongly shaped by propagation through a highly heterogeneous crust. Synthetic examples are shown for P-SV-wave propagation through a semi-ellipsoidal basin and SH-wave propagation through a fault zone.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alam, Aftab; Khan, Suffian N.; Smirnov, A. V.

Korringa-Kohn-Rostoker (KKR) Green's function, multiple-scattering theory is an ecient sitecentered, electronic-structure technique for addressing an assembly of N scatterers. Wave-functions are expanded in a spherical-wave basis on each scattering center and indexed up to a maximum orbital and azimuthal number L max = (l,m) max, while scattering matrices, which determine spectral properties, are truncated at L tr = (l,m) tr where phase shifts δl>l tr are negligible. Historically, L max is set equal to L tr, which is correct for large enough L max but not computationally expedient; a better procedure retains higher-order (free-electron and single-site) contributions for L maxmore » > L tr with δl>l tr set to zero [Zhang and Butler, Phys. Rev. B 46, 7433]. We present a numerically ecient and accurate augmented-KKR Green's function formalism that solves the KKR equations by exact matrix inversion [R 3 process with rank N(l tr + 1) 2] and includes higher-L contributions via linear algebra [R 2 process with rank N(l max +1) 2]. Augmented-KKR approach yields properly normalized wave-functions, numerically cheaper basis-set convergence, and a total charge density and electron count that agrees with Lloyd's formula. We apply our formalism to fcc Cu, bcc Fe and L1 0 CoPt, and present the numerical results for accuracy and for the convergence of the total energies, Fermi energies, and magnetic moments versus L max for a given L tr.« less

Possible acceleration of cosmic rays in a rotating system: Uehling-Uhlenbeck model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kwang-Hua, Chu Rainer, E-mail: 1559877413@qq.com

2016-11-15

We illustrate the possible acceleration of cosmic rays passing through a kind of amplification channel (via diffusion modes of propagating plane-wave fronts) induced by a rotating system. Our analysis is mainly based on the quantum discrete kinetic model (considering a discrete Uehling-Uhlenbeck collision term), which has been used to study the propagation of plane (e.g., acoustic) waves in a system of rotating gases.

Worldline approach to helicity flip in plane waves

NASA Astrophysics Data System (ADS)

Ilderton, Anton; Torgrimsson, Greger

2016-04-01

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

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

NASA Technical Reports Server (NTRS)

Straton, Jack C.

1989-01-01

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

Sound pressure distribution within natural and artificial human ear canals: Forward stimulation

PubMed Central

Ravicz, Michael E.; Tao Cheng, Jeffrey; Rosowski, John J.

2014-01-01

This work is part of a study of the interaction of sound pressure in the ear canal (EC) with tympanic membrane (TM) surface displacement. Sound pressures were measured with 0.5–2 mm spacing at three locations within the shortened natural EC or an artificial EC in human temporal bones: near the TM surface, within the tympanic ring plane, and in a plane transverse to the long axis of the EC. Sound pressure was also measured at 2-mm intervals along the long EC axis. The sound field is described well by the size and direction of planar sound pressure gradients, the location and orientation of standing-wave nodal lines, and the location of longitudinal standing waves along the EC axis. Standing-wave nodal lines perpendicular to the long EC axis are present on the TM surface >11–16 kHz in the natural or artificial EC. The range of sound pressures was larger in the tympanic ring plane than at the TM surface or in the transverse EC plane. Longitudinal standing-wave patterns were stretched. The tympanic-ring sound field is a useful approximation of the TM sound field, and the artificial EC approximates the natural EC. PMID:25480061

Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theory

NASA Astrophysics Data System (ADS)

Győrffy, Werner; Knizia, Gerald; Werner, Hans-Joachim

2017-12-01

We present the theory and algorithms for computing analytical energy gradients for explicitly correlated second-order Møller-Plesset perturbation theory (MP2-F12). The main difficulty in F12 gradient theory arises from the large number of two-electron integrals for which effective two-body density matrices and integral derivatives need to be calculated. For efficiency, the density fitting approximation is used for evaluating all two-electron integrals and their derivatives. The accuracies of various previously proposed MP2-F12 approximations [3C, 3C(HY1), 3*C(HY1), and 3*A] are demonstrated by computing equilibrium geometries for a set of molecules containing first- and second-row elements, using double-ζ to quintuple-ζ basis sets. Generally, the convergence of the bond lengths and angles with respect to the basis set size is strongly improved by the F12 treatment, and augmented triple-ζ basis sets are sufficient to closely approach the basis set limit. The results obtained with the different approximations differ only very slightly. This paper is the first step towards analytical gradients for coupled-cluster singles and doubles with perturbative treatment of triple excitations, which will be presented in the second part of this series.

Skyrmion motion induced by plane stress waves

NASA Astrophysics Data System (ADS)

Gungordu, Utkan; Kovalev, Alexey A.

Skyrmions are typically driven by currents and magnetic fields. We propose an alternative method of driving skyrmions using plane stress waves in a chiral ferromagnetic nanotrack. We find that the effective force due to surface acoustic waves couples both to the helicity and the topological charge of the skyrmion. This coupling can be used to probe the helicity of the skyrmion as well as the nature of the Dzyaloshinskii-Moriya interaction. This is particularly important when a ferromagnet lacks both surface- and bulk-inversion symmetry. Plane stress waves can be generated using a pair of interdigital transducers (IDTs). As the nanowire is subject to half-open space boundary conditions, the skyrmion is driven by normal stress in this setup. We find that skyrmions get pinned at the antinodes of the stress wave, much similar to domain walls, which enables skyrmion motion by detuned IDTs. We also consider a nanotrack sandwiched between a piezoelectric layer and a substrate, with electrical contacts placed on top, which results in shear stress in addition to normal stress in nanotrack. We find that unlike domain walls, skyrmions can be driven using shear component of a standing stress wave. This work was supported primarily by the DOE Early Career Award DE-SC0014189, and in part by the NSF under Grants Nos. Phy-1415600, and DMR-1420645 (UG).

Functional Parallel Factor Analysis for Functions of One- and Two-dimensional Arguments.

PubMed

Choi, Ji Yeh; Hwang, Heungsun; Timmerman, Marieke E

2018-03-01

Parallel factor analysis (PARAFAC) is a useful multivariate method for decomposing three-way data that consist of three different types of entities simultaneously. This method estimates trilinear components, each of which is a low-dimensional representation of a set of entities, often called a mode, to explain the maximum variance of the data. Functional PARAFAC permits the entities in different modes to be smooth functions or curves, varying over a continuum, rather than a collection of unconnected responses. The existing functional PARAFAC methods handle functions of a one-dimensional argument (e.g., time) only. In this paper, we propose a new extension of functional PARAFAC for handling three-way data whose responses are sequenced along both a two-dimensional domain (e.g., a plane with x- and y-axis coordinates) and a one-dimensional argument. Technically, the proposed method combines PARAFAC with basis function expansion approximations, using a set of piecewise quadratic finite element basis functions for estimating two-dimensional smooth functions and a set of one-dimensional basis functions for estimating one-dimensional smooth functions. In a simulation study, the proposed method appeared to outperform the conventional PARAFAC. We apply the method to EEG data to demonstrate its empirical usefulness.

WKB solution 4×4 for electromagnetic waves in a planar magnetically anisotropic inhomogeneous layer

NASA Astrophysics Data System (ADS)

Moiseeva, Natalya Michailovna; Moiseev, Anton Vladimirovich

2018-04-01

In the paper, an oblique incidence of a plane electromagnetic wave on a planar magnetically anisotropic inhomogeneous layer is considered. We consider the case when all the components of the magnetic permeability tensor are non zero and vary with distance from the interface of media. The WKB method gives a matrix 4 × 4 solution for the projections of the electromagnetic wave fields during its propagation. The dependence of the cross-polarized components on the orientation of the anisotropic medium relative to the plane of incidence of the medium is analyzed.

Noise shielding by a hot subsonic jet

NASA Technical Reports Server (NTRS)

Vijayaraghavan, A.; Parthasarathy, S. P.

1981-01-01

An analysis is conducted of the shielding of the noise emitted by a high speed round jet by a hot, subsonic, semicircular jet. A plane wave front in the primary jet is resolved into elementary plane waves which undergo multiple reflections at the jet boundaries of the primary and the shielding jets. The jet boundaries are idealized to be vortex sheets. The far field sound is evaluated asymptotically by a superposition of the waves that penetrate the shielding jet. The angular directivities are plotted for several values of jet temperature and velocity to examine the effectiveness of shielding by the semicircular jet layer.

Ultrasonic measurements of the reflection coefficient at a water/polyurethane foam interface.

PubMed

Sagers, Jason D; Haberman, Michael R; Wilson, Preston S

2013-09-01

Measured ultrasonic reflection coefficients as a function of normal incidence angle are reported for several samples of polyurethane foam submerged in a water bath. Three reflection coefficient models are employed as needed in this analysis to approximate the measured data: (1) an infinite plane wave impinging on an elastic halfspace, (2) an infinite plane wave impinging on a single fluid layer overlying a fluid halfspace, and (3) a finite acoustic beam impinging on an elastic halfspace. The compressional wave speed in each sample is calculated by minimizing the sum of squared error (SSE) between the measured and modeled data.

Validity of measurement of shear modulus by ultrasound shear wave elastography in human pennate muscle.

PubMed

Miyamoto, Naokazu; Hirata, Kosuke; Kanehisa, Hiroaki; Yoshitake, Yasuhide

2015-01-01

Ultrasound shear wave elastography is becoming a valuable tool for measuring mechanical properties of individual muscles. Since ultrasound shear wave elastography measures shear modulus along the principal axis of the probe (i.e., along the transverse axis of the imaging plane), the measured shear modulus most accurately represents the mechanical property of the muscle along the fascicle direction when the probe's principal axis is parallel to the fascicle direction in the plane of the ultrasound image. However, it is unclear how the measured shear modulus is affected by the probe angle relative to the fascicle direction in the same plane. The purpose of the present study was therefore to examine whether the angle between the principal axis of the probe and the fascicle direction in the same plane affects the measured shear modulus. Shear modulus in seven specially-designed tissue-mimicking phantoms, and in eleven human in-vivo biceps brachii and medial gastrocnemius were determined by using ultrasound shear wave elastography. The probe was positioned parallel or 20° obliquely to the fascicle across the B-mode images. The reproducibility of shear modulus measurements was high for both parallel and oblique conditions. Although there was a significant effect of the probe angle relative to the fascicle on the shear modulus in human experiment, the magnitude was negligibly small. These findings indicate that the ultrasound shear wave elastography is a valid tool for evaluating the mechanical property of pennate muscles along the fascicle direction.

Shape Measurement by Means of Phase Retrieval using a Spatial Light Modulator

NASA Astrophysics Data System (ADS)

Agour, Mostafa; Huke, Philipp; Kopylow, Christoph V.; Falldorf, Claas

2010-04-01

We present a novel approach to investigate the shape of a diffusely reflecting technical object. It is based on a combination of a multiple-illumination contouring procedure and phase retrieval from a set of intensity measurements. Special consideration is given to the design of the experimental configuration for phase retrieval and the iterative algorithm to extract the 3D phase map. It is mainly based on a phase-only spatial light modulator (SLM) in the Fourier domain of a 4f-imaging system. The SLM is used to modulate the light incident in the Fourier plane with the transfer function of propagation. Thus, a set of consecutive intensity measurements of the wave field scattered by the investigated object in various propagation states can be realized in a common recording plane. In contrast to already existing methods, no mechanical adjustment is required during the recording process and thus the measuring time is considerably reduced. The method is applied to investigate the shape of micro-objects obtained from a metalforming process. Finally, the experimental results are compared to those provided by a standard interferometric contouring procedure.

Interference effects in phased beam tracing using exact half-space solutions.

PubMed

Boucher, Matthew A; Pluymers, Bert; Desmet, Wim

2016-12-01

Geometrical acoustics provides a correct solution to the wave equation for rectangular rooms with rigid boundaries and is an accurate approximation at high frequencies with nearly hard walls. When interference effects are important, phased geometrical acoustics is employed in order to account for phase shifts due to propagation and reflection. Error increases, however, with more absorption, complex impedance values, grazing incidence, smaller volumes and lower frequencies. Replacing the plane wave reflection coefficient with a spherical one reduces the error but results in slower convergence. Frequency-dependent stopping criteria are then applied to avoid calculating higher order reflections for frequencies that have already converged. Exact half-space solutions are used to derive two additional spherical wave reflection coefficients: (i) the Sommerfeld integral, consisting of a plane wave decomposition of a point source and (ii) a line of image sources located at complex coordinates. Phased beam tracing using exact half-space solutions agrees well with the finite element method for rectangular rooms with absorbing boundaries, at low frequencies and for rooms with different aspect ratios. Results are accurate even for long source-to-receiver distances. Finally, the crossover frequency between the plane and spherical wave reflection coefficients is discussed.

Plane Wave SH₀ Piezoceramic Transduction Optimized Using Geometrical Parameters.

PubMed

Boivin, Guillaume; Viens, Martin; Belanger, Pierre

2018-02-10

Structural health monitoring is a prominent alternative to the scheduled maintenance of safety-critical components. The nondispersive nature as well as the through-thickness mode shape of the fundamental shear horizontal guided wave mode (SH 0 ) make it a particularly attractive candidate for ultrasonic guided wave structural health monitoring. However, plane wave excitation of SH 0 at a high level of purity remains challenging because of the existence of the fundamental Lamb modes (A 0 and S 0 ) below the cutoff frequency thickness product of high-order modes. This paper presents a piezoelectric transducer concept optimized for plane SH 0 wave transduction based on the transducer geometry. The transducer parameter exploration was initially performed using a simple analytical model. A 3D multiphysics finite element model was then used to refine the transducer design. Finally, an experimental validation was conducted with a 3D laser Doppler vibrometer system. The analytical model, the finite element model, and the experimental measurement showed excellent agreement. The modal selectivity of SH 0 within a 20 ∘ beam opening angle at the design frequency of 425 kHz in a 1.59 mm aluminum plate was 23 dB, and the angle of the 6 dB wavefront was 86 ∘ .

Seismic modeling with radial basis function-generated finite differences (RBF-FD) – a simplified treatment of interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martin, Bradley, E-mail: brma7253@colorado.edu; Fornberg, Bengt, E-mail: Fornberg@colorado.edu

In a previous study of seismic modeling with radial basis function-generated finite differences (RBF-FD), we outlined a numerical method for solving 2-D wave equations in domains with material interfaces between different regions. The method was applicable on a mesh-free set of data nodes. It included all information about interfaces within the weights of the stencils (allowing the use of traditional time integrators), and was shown to solve problems of the 2-D elastic wave equation to 3rd-order accuracy. In the present paper, we discuss a refinement of that method that makes it simpler to implement. It can also improve accuracy formore » the case of smoothly-variable model parameter values near interfaces. We give several test cases that demonstrate the method solving 2-D elastic wave equation problems to 4th-order accuracy, even in the presence of smoothly-curved interfaces with jump discontinuities in the model parameters.« less

Seismic modeling with radial basis function-generated finite differences (RBF-FD) - a simplified treatment of interfaces

NASA Astrophysics Data System (ADS)

Martin, Bradley; Fornberg, Bengt

2017-04-01

In a previous study of seismic modeling with radial basis function-generated finite differences (RBF-FD), we outlined a numerical method for solving 2-D wave equations in domains with material interfaces between different regions. The method was applicable on a mesh-free set of data nodes. It included all information about interfaces within the weights of the stencils (allowing the use of traditional time integrators), and was shown to solve problems of the 2-D elastic wave equation to 3rd-order accuracy. In the present paper, we discuss a refinement of that method that makes it simpler to implement. It can also improve accuracy for the case of smoothly-variable model parameter values near interfaces. We give several test cases that demonstrate the method solving 2-D elastic wave equation problems to 4th-order accuracy, even in the presence of smoothly-curved interfaces with jump discontinuities in the model parameters.

A Variational Reduction and the Existence of a Fully Localised Solitary Wave for the Three-Dimensional Water-Wave Problem with Weak Surface Tension

NASA Astrophysics Data System (ADS)

Buffoni, Boris; Groves, Mark D.; Wahlén, Erik

2017-12-01

Fully localised solitary waves are travelling-wave solutions of the three- dimensional gravity-capillary water wave problem which decay to zero in every horizontal spatial direction. Their existence has been predicted on the basis of numerical simulations and model equations (in which context they are usually referred to as `lumps'), and a mathematically rigorous existence theory for strong surface tension (Bond number {β} greater than {1/3} ) has recently been given. In this article we present an existence theory for the physically more realistic case {0 < β < 1/3} . A classical variational principle for fully localised solitary waves is reduced to a locally equivalent variational principle featuring a perturbation of the functional associated with the Davey-Stewartson equation. A nontrivial critical point of the reduced functional is found by minimising it over its natural constraint set.

A Variational Reduction and the Existence of a Fully Localised Solitary Wave for the Three-Dimensional Water-Wave Problem with Weak Surface Tension

NASA Astrophysics Data System (ADS)

Buffoni, Boris; Groves, Mark D.; Wahlén, Erik

2018-06-01

Fully localised solitary waves are travelling-wave solutions of the three- dimensional gravity-capillary water wave problem which decay to zero in every horizontal spatial direction. Their existence has been predicted on the basis of numerical simulations and model equations (in which context they are usually referred to as `lumps'), and a mathematically rigorous existence theory for strong surface tension (Bond number {β} greater than {1/3}) has recently been given. In this article we present an existence theory for the physically more realistic case {0 < β < 1/3}. A classical variational principle for fully localised solitary waves is reduced to a locally equivalent variational principle featuring a perturbation of the functional associated with the Davey-Stewartson equation. A nontrivial critical point of the reduced functional is found by minimising it over its natural constraint set.

Can continuous scans in orthogonal planes improve diagnostic performance of shear wave elastography for breast lesions?

PubMed

Yang, Pan; Peng, Yulan; Zhao, Haina; Luo, Honghao; Jin, Ya; He, Yushuang

2015-01-01

Static shear wave elastography (SWE) is used to detect breast lesions, but slice and plane selections result in discrepancies. To evaluate the intraobserver reproducibility of continuous SWE, and whether quantitative elasticities in orthogonal planes perform better in the differential diagnosis of breast lesions. One hundred and twenty-two breast lesions scheduled for ultrasound-guided biopsy were recruited. Continuous SWE scans were conducted in orthogonal planes separately. Quantitative elasticities and histopathology results were collected. Reproducibility in the same plane and diagnostic performance in different planes were evaluated. The maximum and mean elasticities of the hardest portion, and standard deviation of whole lesion, had high inter-class correlation coefficients (0.87 to 0.95) and large areas under receiver operation characteristic curve (0.887 to 0.899). Without loss of accuracy, sensitivities had increased in orthogonal planes compared with single plane (from 73.17% up to 82.93% at most). Mean elasticity of whole lesion and lesion-to-parenchyma ratio were significantly less reproducible and less accurate. Continuous SWE is highly reproducible for the same observer. The maximum and mean elasticities of the hardest portion and standard deviation of whole lesion are most reliable. Furthermore, the sensitivities of the three parameters are improved in orthogonal planes without loss of accuracies.

Density functional calculations of multiphonon capture cross sections at defects in semiconductors

NASA Astrophysics Data System (ADS)

Barmparis, Georgios D.; Puzyrev, Yevgeniy S.; Zhang, X.-G.; Pantelides, Sokrates T.

2014-03-01

The theory of electron capture cross sections by multiphonon processes in semiconductors has a long and controversial history. Here we present a comprehensive theory and describe its implementation for realistic calculations. The Born-Oppenheimer and the Frank-Condon approximations are employed. The transition probability of an incoming electron is written as a product of an instantaneous electronic transition in the initial defect configuration and the line shape function (LSF) that describes the multiphonon processes that lead to lattice relaxation. The electronic matrix elements are calculated using the Projector Augmented Wave (PAW) method which yields the true wave functions while still employing a plane-wave basis. The LSF is calculated by employing a Monte Carlo method and the real phonon modes of the defect, calculated using density functional theory in the PAW scheme. Initial results of the capture cross section for a prototype system, namely a triply hydrogenated vacancy in Si are presented. The results are relevant for modeling device degradation by hot electron effects. This work is supported in part by the Samsung Advanced Institute of Technology (SAIT)'s Global Research Outreach (GRO) Program and by the LDRD program at ORNL.

Testing and Analysis of Sensor Ports

NASA Technical Reports Server (NTRS)

Zhang, M.; Frendi, A.; Thompson, W.; Casiano, M. J.

2016-01-01

This Technical Publication summarizes the work focused on the testing and analysis of sensor ports. The tasks under this contract were divided into three areas: (1) Development of an Analytical Model, (2) Conducting a Set of Experiments, and (3) Obtaining Computational Solutions. Results from the experiment using both short and long sensor ports were obtained using harmonic, random, and frequency sweep plane acoustic waves. An amplification factor of the pressure signal between the port inlet and the back of the port is obtained and compared to models. Comparisons of model and experimental results showed very good agreement.

Automated alignment of a reconfigurable optical system using focal-plane sensing and Kalman filtering.

PubMed

Fang, Joyce; Savransky, Dmitry

2016-08-01

Automation of alignment tasks can provide improved efficiency and greatly increase the flexibility of an optical system. Current optical systems with automated alignment capabilities are typically designed to include a dedicated wavefront sensor. Here, we demonstrate a self-aligning method for a reconfigurable system using only focal plane images. We define a two lens optical system with 8 degrees of freedom. Images are simulated given misalignment parameters using ZEMAX software. We perform a principal component analysis on the simulated data set to obtain Karhunen-Loève modes, which form the basis set whose weights are the system measurements. A model function, which maps the state to the measurement, is learned using nonlinear least-squares fitting and serves as the measurement function for the nonlinear estimator (extended and unscented Kalman filters) used to calculate control inputs to align the system. We present and discuss simulated and experimental results of the full system in operation.

Numerical Simulations of Shock Wave Refraction at Inclined Gas Contact Discontinuity

ERIC Educational Resources Information Center

Bulat, Pavel V.; Volkov, Konstantin N.

2016-01-01

When a shock wave interacts with a contact discontinuity, there may appear a reflected rarefaction wave, a deflected contact discontinuity and a refracted supersonic shock. The numerical simulation of shock wave refraction at a plane contact discontinuity separating gases with different densities is performed. Euler equations describing inviscid…

Rogue wave modes for a derivative nonlinear Schrödinger model.

PubMed

Chan, Hiu Ning; Chow, Kwok Wing; Kedziora, David Jacob; Grimshaw, Roger Hamilton James; Ding, Edwin

2014-03-01

Rogue waves in fluid dynamics and optical waveguides are unexpectedly large displacements from a background state, and occur in the nonlinear Schrödinger equation with positive linear dispersion in the regime of positive cubic nonlinearity. Rogue waves of a derivative nonlinear Schrödinger equation are calculated in this work as a long-wave limit of a breather (a pulsating mode), and can occur in the regime of negative cubic nonlinearity if a sufficiently strong self-steepening nonlinearity is also present. This critical magnitude is shown to be precisely the threshold for the onset of modulation instabilities of the background plane wave, providing a strong piece of evidence regarding the connection between a rogue wave and modulation instability. The maximum amplitude of the rogue wave is three times that of the background plane wave, a result identical to that of the Peregrine breather in the classical nonlinear Schrödinger equation model. This amplification ratio and the resulting spectral broadening arising from modulation instability correlate with recent experimental results of water waves. Numerical simulations in the regime of marginal stability are described.

Orbital dependent functionals: An atom projector augmented wave method implementation

NASA Astrophysics Data System (ADS)

Xu, Xiao

This thesis explores the formulation and numerical implementation of orbital dependent exchange-correlation functionals within electronic structure calculations. These orbital-dependent exchange-correlation functionals have recently received renewed attention as a means to improve the physical representation of electron interactions within electronic structure calculations. In particular, electron self-interaction terms can be avoided. In this thesis, an orbital-dependent functional is considered in the context of Hartree-Fock (HF) theory as well as the Optimized Effective Potential (OEP) method and the approximate OEP method developed by Krieger, Li, and Iafrate, known as the KLI approximation. In this thesis, the Fock exchange term is used as a simple well-defined example of an orbital-dependent functional. The Projected Augmented Wave (PAW) method developed by P. E. Blochl has proven to be accurate and efficient for electronic structure calculations for local and semi-local functions because of its accurate evaluation of interaction integrals by controlling multiple moments. We have extended the PAW method to treat orbital-dependent functionals in Hartree-Fock theory and the Optimized Effective Potential method, particularly in the KLI approximation. In the course of study we develop a frozen-core orbital approximation that accurately treats the core electron contributions for above three methods. The main part of the thesis focuses on the treatment of spherical atoms. We have investigated the behavior of PAW-Hartree Fock and PAW-KLI basis, projector, and pseudopotential functions for several elements throughout the periodic table. We have also extended the formalism to the treatment of solids in a plane wave basis and implemented PWPAW-KLI code, which will appear in future publications.

The Fermionic Signature Operator and Hadamard States in the Presence of a Plane Electromagnetic Wave

NASA Astrophysics Data System (ADS)

Finster, Felix; Reintjes, Moritz

2017-05-01

We give a non-perturbative construction of a distinguished state for the quantized Dirac field in Minkowski space in the presence of a time-dependent external field of the form of a plane electromagnetic wave. By explicit computation of the fermionic signature operator, it is shown that the Dirac operator has the strong mass oscillation property. We prove that the resulting fermionic projector state is a Hadamard state.

Imaging performance of an isotropic negative dielectric constant slab.

PubMed

Shivanand; Liu, Huikan; Webb, Kevin J

2008-11-01

The influence of material and thickness on the subwavelength imaging performance of a negative dielectric constant slab is studied. Resonance in the plane-wave transfer function produces a high spatial frequency ripple that could be useful in fabricating periodic structures. A cost function based on the plane-wave transfer function provides a useful metric to evaluate the planar slab lens performance, and using this, the optimal slab dielectric constant can be determined.

Comparing photonic band structure calculation methods for diamond and pyrochlore crystals.

PubMed

Vermolen, E C M; Thijssen, J H J; Moroz, A; Megens, M; van Blaaderen, A

2009-04-27

The photonic band diagrams of close-packed colloidal diamond and pyrochlore structures, have been studied using Korringa-Kohn-Rostoker (KKR) and plane-wave calculations. In addition, the occurrence of a band gap has been investigated for the binary Laves structures and their constituent large- and small-sphere substructures. It was recently shown that these Laves structures give the possibility to fabricate the diamond and pyrochlore structures by self-organization. The comparison of the two calculation methods opens the possibility to study the validity and the convergence of the results, which have been an issue for diamond-related structures in the past. The KKR calculations systematically give a lower value for the gap width than the plane-wave calculations. This difference can partly be ascribed to a convergence issue in the plane-wave code when a contact point of two spheres coincides with the grid.

Scattering of targets over layered half space using a semi-analytic method in conjunction with FDTD algorithm.

PubMed

Cao, Le; Wei, Bing

2014-08-25

Finite-difference time-domain (FDTD) algorithm with a new method of plane wave excitation is used to investigate the RCS (Radar Cross Section) characteristics of targets over layered half space. Compare with the traditional excitation plane wave method, the calculation memory and time requirement is greatly decreased. The FDTD calculation is performed with a plane wave incidence, and the RCS of far field is obtained by extrapolating the currently calculated data on the output boundary. However, methods available for extrapolating have to evaluate the half space Green function. In this paper, a new method which avoids using the complex and time-consuming half space Green function is proposed. Numerical results show that this method is in good agreement with classic algorithm and it can be used in the fast calculation of scattering and radiation of targets over layered half space.

Printed circuit board impedance matching step for microwave (millimeter wave) devices

DOEpatents

Pao, Hsueh-Yuan; Aguirre, Jerardo; Sargis, Paul

2013-10-01

An impedance matching ground plane step, in conjunction with a quarter wave transformer section, in a printed circuit board provides a broadband microwave matching transition from board connectors or other elements that require thin substrates to thick substrate (>quarter wavelength) broadband microwave (millimeter wave) devices. A method of constructing microwave and other high frequency electrical circuits on a substrate of uniform thickness, where the circuit is formed of a plurality of interconnected elements of different impedances that individually require substrates of different thicknesses, by providing a substrate of uniform thickness that is a composite or multilayered substrate; and forming a pattern of intermediate ground planes or impedance matching steps interconnected by vias located under various parts of the circuit where components of different impedances are located so that each part of the circuit has a ground plane substrate thickness that is optimum while the entire circuit is formed on a substrate of uniform thickness.

Comparison of finite source and plane wave scattering from corrugated surfaces

NASA Technical Reports Server (NTRS)

Levine, D. M.

1977-01-01

The choice of a plane wave to represent incident radiation in the analysis of scatter from corrugated surfaces was examined. The physical optics solution obtained for the scattered fields due to an incident plane wave was compared with the solution obtained when the incident radiation is produced by a source of finite size and finite distance from the surface. The two solutions are equivalent if the observer is in the far field of the scatterer and the distance from observer to scatterer is large compared to the radius of curvature at the scatter points, condition not easily satisfied with extended scatterers such as rough surfaces. In general, the two solutions have essential differences such as in the location of the scatter points and the dependence of the scattered fields on the surface properties. The implication of these differences to the definition of a meaningful radar cross section was examined.

Contribution to study of interfaces instabilities in plane, cylindrical and spherical geometry

NASA Astrophysics Data System (ADS)

Toque, Nathalie

1996-12-01

This thesis proposes several experiments of hydrodynamical instabilities which are studied, numerically and theoretically. The experiments are in plane and cylindrical geometry. Their X-ray radiographies show the evolution of an interface between two solid media crossed by a detonation wave. These materials are initially solid. They become liquide under shock wave or stay between two phases, solid and liquid. The numerical study aims at simulating with the codes EAD and Ouranos, the interfaces instabilities which appear in the experiments. The experimental radiographies and the numerical pictures are in quite good agreement. The theoretical study suggests to modelise a spatio-temporal part of the experiments to obtain the quantitative development of perturbations at the interfaces and in the flows. The models are linear and in plane, cylindrical and spherical geometry. They preceed the inoming study of transition between linear and non linear development of instabilities in multifluids flows crossed by shock waves.

A standing wave linear ultrasonic motor operating in in-plane expanding and bending modes.

PubMed

Chen, Zhijiang; Li, Xiaotian; Ci, Penghong; Liu, Guoxi; Dong, Shuxiang

2015-03-01

A novel standing wave linear ultrasonic motor operating in in-plane expanding and bending modes was proposed in this study. The stator (or actuator) of the linear motor was made of a simple single Lead Zirconate Titanate (PZT) ceramic square plate (15 × 15 × 2 mm(3)) with a circular hole (D = 6.7 mm) in the center. The geometric parameters of the stator were computed with the finite element analysis to produce in-plane bi-mode standing wave vibration. The calculated results predicted that a driving tip attached at midpoint of one edge of the stator can produce two orthogonal, approximate straight-line trajectories, which can be used to move a slider in linear motion via frictional forces in forward or reverse direction. The investigations showed that the proposed linear motor can produce a six times higher power density than that of a previously reported square plate motor.

Nonlinear modes of the tensor Dirac equation and CPT violation

NASA Technical Reports Server (NTRS)

Reifler, Frank J.; Morris, Randall D.

1993-01-01

Recently, it has been shown that Dirac's bispinor equation can be expressed, in an equivalent tensor form, as a constrained Yang-Mills equation in the limit of an infinitely large coupling constant. It was also shown that the free tensor Dirac equation is a completely integrable Hamiltonian system with Lie algebra type Poisson brackets, from which Fermi quantization can be derived directly without using bispinors. The Yang-Mills equation for a finite coupling constant is investigated. It is shown that the nonlinear Yang-Mills equation has exact plane wave solutions in one-to-one correspondence with the plane wave solutions of Dirac's bispinor equation. The theory of nonlinear dispersive waves is applied to establish the existence of wave packets. The CPT violation of these nonlinear wave packets, which could lead to new observable effects consistent with current experimental bounds, is investigated.

Phase-shifting point diffraction interferometer

DOEpatents

Medecki, H.

1998-11-10

Disclosed is a point diffraction interferometer for evaluating the quality of a test optic. In operation, the point diffraction interferometer includes a source of radiation, the test optic, a beam divider, a reference wave pinhole located at an image plane downstream from the test optic, and a detector for detecting an interference pattern produced between a reference wave emitted by the pinhole and a test wave emitted from the test optic. The beam divider produces separate reference and test beams which focus at different laterally separated positions on the image plane. The reference wave pinhole is placed at a region of high intensity (e.g., the focal point) for the reference beam. This allows reference wave to be produced at a relatively high intensity. Also, the beam divider may include elements for phase shifting one or both of the reference and test beams. 8 figs.

Phase-shifting point diffraction interferometer

DOEpatents

Medecki, Hector

1998-01-01

Disclosed is a point diffraction interferometer for evaluating the quality of a test optic. In operation, the point diffraction interferometer includes a source of radiation, the test optic, a beam divider, a reference wave pinhole located at an image plane downstream from the test optic, and a detector for detecting an interference pattern produced between a reference wave emitted by the pinhole and a test wave emitted from the test optic. The beam divider produces separate reference and test beams which focus at different laterally separated positions on the image plane. The reference wave pinhole is placed at a region of high intensity (e.g., the focal point) for the reference beam. This allows reference wave to be produced at a relatively high intensity. Also, the beam divider may include elements for phase shifting one or both of the reference and test beams.

Controlling the position of a stabilized detonation wave in a supersonic gas mixture flow in a plane channel

NASA Astrophysics Data System (ADS)

Levin, V. A.; Zhuravskaya, T. A.

2017-03-01

Stabilization of a detonation wave in a stoichiometric hydrogen-air mixture flowing at a supersonic velocity into a plane symmetric channel with constriction has been studied in the framework of a detailed kinetic mechanism of the chemical interaction. Conditions ensuring the formation of a thrust-producing f low with a stabilized detonation wave in the channel are determined. The inf luence of the inf low Mach number, dustiness of the combustible gas mixture supplied to the channel, and output cross-section size on the position of a stabilized detonation wave in the f low has been analyzed with a view to increasing the efficiency of detonation combustion of the gas mixture. It is established that thrust-producing flow with a stabilized detonation wave can be formed in the channel without any energy consumption.

Analysis of wave propagation in a two-dimensional photonic crystal with negative index of refraction: plane wave decomposition of the Bloch modes.

PubMed

Martínez, Alejandro; Míguez, Hernán; Sánchez-Dehesa, José; Martí, Javier

2005-05-30

This work presents a comprehensive analysis of electromagnetic wave propagation inside a two-dimensional photonic crystal in a spectral region in which the crystal behaves as an effective medium to which a negative effective index of refraction can be associated. It is obtained that the main plane wave component of the Bloch mode that propagates inside the photonic crystal has its wave vector k' out of the first Brillouin zone and it is parallel to the Poynting vector ( S' ? k'> 0 ), so light propagation in these composites is different from that reported for left-handed materials despite the fact that negative refraction can take place at the interface between air and both kinds of composites. However, wave coupling at the interfaces is well explained using the reduced wave vector ( k' ) in the first Brillouin zone, which is opposed to the energy flow, and agrees well with previous works dealing with negative refraction in photonic crystals.

Link between EMIC waves in a plasmaspheric plume and a detached sub-auroral proton arc with observations of Cluster and IMAGE satellites

NASA Astrophysics Data System (ADS)

Yuan, Zhigang; Deng, Xiaohua; Lin, Xi; Pang, Ye; Zhou, Meng; Décréau, P. M. E.; Trotignon, J. G.; Lucek, E.; Frey, H. U.; Wang, Jingfang

2010-04-01

In this paper, we report observations from a Cluster satellite showing that ULF wave occurred in the outer boundary of a plasmaspheric plume on September 4, 2005. The band of observed ULF waves is between the He+ ion gyrofrequency and O+ ion gyrofrequency at the equatorial plane, implying that those ULF waves can be identified as EMIC waves generated by ring current ions in the equatorial plane and strongly affected by rich cold He+ ions in plasmaspheric plumes. During the interval of observed EMIC waves, the footprint of Cluster SC3 lies in a subauroral proton arc observed by the IMAGE FUV instrument, demonstrating that the subauroral proton arc was caused by energetic ring current protons scattered into the loss cone under the Ring Current (RC)-EMIC interaction in the plasmaspheric plume. Therefore, the paper provides a direct proof that EMIC waves can be generated in the plasmaspheric plume and scatter RC ions to cause subauroral proton arcs.

Finite-fault inversion of the Mw 5.9 2012 Emilia-Romagna earthquake (Northern Italy) using aftershocks as near-field Green's function approximations

NASA Astrophysics Data System (ADS)

Causse, Mathieu; Cultrera, Giovanna; Herrero, André; Courboulex, Françoise; Schiappapietra, Erika; Moreau, Ludovic

2017-04-01

On May 29, 2012 occurred a Mw 5.9 earthquake in the Emilia-Romagna region (Po Plain) on a thrust fault system. This shock, as well as hundreds of aftershocks, were recorded by 10 strong motion stations located less than 10 km away from the rupture plane, with 4 stations located within the surface rupture projection. The Po Plain is a very large EW trending syntectonic alluvial basin, delimited by the Alps and Apennines chains to the North and South. The Plio-Quaternary sedimentary sequence filling the Po Plain is characterized by an uneven thickness, ranging from several thousands of meters to a few tens of meters. This particular context results especially in a resonance basin below 1 Hz and strong surface waves, which makes it particularly difficult to model wave propagation and hence to obtain robust images of the rupture propagation. This study proposes to take advantage of the large set of recorded aftershocks, considered as point sources, to model wave propagation. Due to the heterogeneous distribution of the aftershocks on the fault plane, an interpolation technique is proposed to compute an approximation of the Green's function between each fault point and each strong motion station in the frequency range [0.2-1Hz]. We then use a Bayesian inversion technique (Monte Carlo Markov Chain algorithm) to obtain images of the rupture propagation from the strong motion data. We propose to retrieve the slip distribution by inverting the final slip value at some control points, which are allowed to move on the fault plane, and by interpolating the slip value between these points. We show that the use of 5 control points to describe the slip, coupled with the hypothesis of spatially constant rupture velocity and rise-time (that is 18 free source parameters), results in a good level of fit with the data. This indicates that despite their complexity, the strong motion data can be properly modeled up to 1 Hz using a relatively simple rupture. The inversion results also reveal that the rupture propagated slowly, at a speed of about 45% of the shear wave velocity.

The two-electron atomic systems. S-states

NASA Astrophysics Data System (ADS)

Liverts, Evgeny Z.; Barnea, Nir

2010-01-01

A simple Mathematica program for computing the S-state energies and wave functions of two-electron (helium-like) atoms (ions) is presented. The well-known method of projecting the Schrödinger equation onto the finite subspace of basis functions was applied. The basis functions are composed of the exponentials combined with integer powers of the simplest perimetric coordinates. No special subroutines were used, only built-in objects supported by Mathematica. The accuracy of results and computation time depend on the basis size. The precise energy values of 7-8 significant figures along with the corresponding wave functions can be computed on a single processor within a few minutes. The resultant wave functions have a simple analytical form consisting of elementary functions, that enables one to calculate the expectation values of arbitrary physical operators without any difficulties. Program summaryProgram title: TwoElAtom-S Catalogue identifier: AEFK_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFK_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 10 185 No. of bytes in distributed program, including test data, etc.: 495 164 Distribution format: tar.gz Programming language: Mathematica 6.0; 7.0 Computer: Any PC Operating system: Any which supports Mathematica; tested under Microsoft Windows XP and Linux SUSE 11.0 RAM:⩾10 bytes Classification: 2.1, 2.2, 2.7, 2.9 Nature of problem: The Schrödinger equation for atoms (ions) with more than one electron has not been solved analytically. Approximate methods must be applied in order to obtain the wave functions or other physical attributes from quantum mechanical calculations. Solution method: The S-wave function is expanded into a triple basis set in three perimetric coordinates. Method of projecting the two-electron Schrödinger equation (for atoms/ions) onto a subspace of the basis functions enables one to obtain the set of homogeneous linear equations F.C=0 for the coefficients C of the above expansion. The roots of equation det(F)=0 yield the bound energies. Restrictions: First, the too large length of expansion (basis size) takes the too large computation time giving no perceptible improvement in accuracy. Second, the order of polynomial Ω (input parameter) in the wave function expansion enables one to calculate the excited nS-states up to n=Ω+1 inclusive. Additional comments: The CPC Program Library includes "A program to calculate the eigenfunctions of the random phase approximation for two electron systems" (AAJD). It should be emphasized that this fortran code realizes a very rough approximation describing only the averaged electron density of the two electron systems. It does not characterize the properties of the individual electrons and has a number of input parameters including the Roothaan orbitals. Running time: ˜10 minutes (depends on basis size and computer speed)

Deep-sea tsunami deposits in the Miocene Nishizaki Formation of Boso Peninsula, Central Japan

NASA Astrophysics Data System (ADS)

Lee, I. T.; Ogawa, Y.

2003-12-01

Many sets of deep-sea deposits considered to be formed by return flow of tsunami were found from the middle Miocene Nishizaki Formation of Boso Peninsula, Central Japan, which is located near the convergent plate boundary at present as well as in the past, and has been frequently attacked by tsunami. The characteristics of the tsunami deposits in the Nishizaki Formation are as follows. Each set consists of 10-20 beds with parallel laminations formed under upper plane regime composed of alternated pumiceous beds in white and black colors. The white bed comprises coarse sands and pebbles with thickness of 5-10 cm. In contrast, the black bed is made of silts with thickness less than 1 cm. Among the 10-20 beds, the grain size is coarsest in the middle part of the set in general. The uppermost bed of each set shows cross-lamination formed by lower plane regime, gradually changing into finer graded bed on top. Sometimes, the lower part of the parallel laminated bed is associated with an underlying debrite or turbidite bed. Each set of these parallel-laminated beds is lenticular in shape thinning to the east in consistent with the generally eastward paleocurrent of the cross-lamination at the top. Such sedimentary characteristics are different from any event deposits reported in deep-sea but similar to the deep-sea K/T boundary deposits in the Caribbean region. Statistically, tsunami waves occur totally 12-13 times. Among them the height of 5-6th wave is known to be strongest. Interval time of each return flow is known to be 30-40 minutes, enough to settle the finer clastics at each bed top. The parallel-laminated parts have common dish structure and never trace fossils, indicating rather rapid deposition for the whole parts of the set. Consequently, the sedimentary characteristics shown from the parallel-laminated beds of the Nishizaki Formation are attributed to the return flow of tsunami to the deep-sea. We considered that such deep-sea parallel-laminated deposits of pumiceous clastics occur just after a large earthquake which forms the debrite or turbidite at the lowermost part.

Proof-of-Concept of a Millimeter-Wave Integrated Heterogeneous Network for 5G Cellular

PubMed Central

Okasaka, Shozo; Weiler, Richard J.; Keusgen, Wilhelm; Pudeyev, Andrey; Maltsev, Alexander; Karls, Ingolf; Sakaguchi, Kei

2016-01-01

The fifth-generation mobile networks (5G) will not only enhance mobile broadband services, but also enable connectivity for a massive number of Internet-of-Things devices, such as wireless sensors, meters or actuators. Thus, 5G is expected to achieve a 1000-fold or more increase in capacity over 4G. The use of the millimeter-wave (mmWave) spectrum is a key enabler to allowing 5G to achieve such enhancement in capacity. To fully utilize the mmWave spectrum, 5G is expected to adopt a heterogeneous network (HetNet) architecture, wherein mmWave small cells are overlaid onto a conventional macro-cellular network. In the mmWave-integrated HetNet, splitting of the control plane (CP) and user plane (UP) will allow continuous connectivity and increase the capacity of the mmWave small cells. mmWave communication can be used not only for access linking, but also for wireless backhaul linking, which will facilitate the installation of mmWave small cells. In this study, a proof-of-concept (PoC) was conducted to demonstrate the practicality of a prototype mmWave-integrated HetNet, using mmWave technologies for both backhaul and access. PMID:27571074

Proof-of-Concept of a Millimeter-Wave Integrated Heterogeneous Network for 5G Cellular.

PubMed

Okasaka, Shozo; Weiler, Richard J; Keusgen, Wilhelm; Pudeyev, Andrey; Maltsev, Alexander; Karls, Ingolf; Sakaguchi, Kei

2016-08-25

The fifth-generation mobile networks (5G) will not only enhance mobile broadband services, but also enable connectivity for a massive number of Internet-of-Things devices, such as wireless sensors, meters or actuators. Thus, 5G is expected to achieve a 1000-fold or more increase in capacity over 4G. The use of the millimeter-wave (mmWave) spectrum is a key enabler to allowing 5G to achieve such enhancement in capacity. To fully utilize the mmWave spectrum, 5G is expected to adopt a heterogeneous network (HetNet) architecture, wherein mmWave small cells are overlaid onto a conventional macro-cellular network. In the mmWave-integrated HetNet, splitting of the control plane (CP) and user plane (UP) will allow continuous connectivity and increase the capacity of the mmWave small cells. mmWave communication can be used not only for access linking, but also for wireless backhaul linking, which will facilitate the installation of mmWave small cells. In this study, a proof-of-concept (PoC) was conducted to demonstrate the practicality of a prototype mmWave-integrated HetNet, using mmWave technologies for both backhaul and access.

Turbulence in the Ott-Antonsen equation for arrays of coupled phase oscillators

NASA Astrophysics Data System (ADS)

Wolfrum, M.; Gurevich, S. V.; Omel'chenko, O. E.

2016-02-01

In this paper we study the transition to synchrony in an one-dimensional array of oscillators with non-local coupling. For its description in the continuum limit of a large number of phase oscillators, we use a corresponding Ott-Antonsen equation, which is an integro-differential equation for the evolution of the macroscopic profiles of the local mean field. Recently, it was reported that in the spatially extended case at the synchronisation threshold there appear partially coherent plane waves with different wave numbers, which are organised in the well-known Eckhaus scenario. In this paper, we show that for Kuramoto-Sakaguchi phase oscillators the phase lag parameter in the interaction function can induce a Benjamin-Feir-type instability of the partially coherent plane waves. The emerging collective macroscopic chaos appears as an intermediate stage between complete incoherence and stable partially coherent plane waves. We give an analytic treatment of the Benjamin-Feir instability and its onset in a codimension-two bifurcation in the Ott-Antonsen equation as well as a numerical study of the transition from phase turbulence to amplitude turbulence inside the Benjamin-Feir unstable region.

Simulation of Guided Wave Interaction with In-Plane Fiber Waviness

NASA Technical Reports Server (NTRS)

Leckey, Cara A. C.; Juarez, Peter D.

2016-01-01

Reducing the timeline for certification of composite materials and enabling the expanded use of advanced composite materials for aerospace applications are two primary goals of NASA's Advanced Composites Project (ACP). A key a technical challenge area for accomplishing these goals is the development of rapid composite inspection methods with improved defect characterization capabilities. Ongoing work at NASA Langley is focused on expanding ultrasonic simulation capabilities for composite materials. Simulation tools can be used to guide the development of optimal inspection methods. Custom code based on elastodynamic finite integration technique is currently being developed and implemented to study ultrasonic wave interaction with manufacturing defects, such as in-plane fiber waviness (marcelling). This paper describes details of validation comparisons performed to enable simulation of guided wave propagation in composites containing fiber waviness. Simulation results for guided wave interaction with in-plane fiber waviness are also discussed. The results show that the wavefield is affected by the presence of waviness on both the surface containing fiber waviness, as well as the opposite surface to the location of waviness.

Radiation force of an arbitrary acoustic beam on an elastic sphere in a fluid

PubMed Central

Sapozhnikov, Oleg A.; Bailey, Michael R.

2013-01-01

A theoretical approach is developed to calculate the radiation force of an arbitrary acoustic beam on an elastic sphere in a liquid or gas medium. First, the incident beam is described as a sum of plane waves by employing conventional angular spectrum decomposition. Then, the classical solution for the scattering of a plane wave from an elastic sphere is applied for each plane-wave component of the incident field. The net scattered field is expressed as a superposition of the scattered fields from all angular spectrum components of the incident beam. With this formulation, the incident and scattered waves are superposed in the far field to derive expressions for components of the radiation stress tensor. These expressions are then integrated over a spherical surface to analytically describe the radiation force on an elastic sphere. Limiting cases for particular types of incident beams are presented and are shown to agree with known results. Finally, the analytical expressions are used to calculate radiation forces associated with two specific focusing transducers. PMID:23363086